Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/rgalindo/g16/l1.exe "/home/rgalindo/tmp/Gau-1214960.inp" -scrdir="/home/rgalindo/tmp/" Entering Link 1 = /home/rgalindo/g16/l1.exe PID= 1214962. Copyright (c) 1988-2021, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision C.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019. ****************************************** Gaussian 16: ES64L-G16RevC.02 7-Dec-2021 6-May-2024 ****************************************** %chk=gau.chk %mem=16GB %nprocshared=12 Will use up to 12 processors via shared memory. ------------------------------------------------------------ #HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt ------------------------------------------------------------ 1/18=20,19=15,38=1/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4//1; 5/5=2,32=2,38=5/2; 6/7=2,8=2,9=2,10=2,15=8,20=1,28=1,33=2,42=6/1,2; 7//1,2,3,16; 1/18=20,19=15/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,32=2,38=5/2; 7//1,2,3,16; 1/18=20,19=15/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,15=8,19=2,20=1,28=1,33=2,42=6/1,2; 99/9=1/99; --------------------- remark line goes here --------------------- Symbolic Z-matrix: Charge = -1 Multiplicity = 1 C 6.958 -5.037 2.04 C 7.355 -4.85 3.5 O 6.632 -6.405 1.86 O 2.687 -1.916 0.47 C 3.606 -2.659 0.83 N 4.912 -2.218 0.82 C 6.031 -2.941 1.2 O 7.148 -2.461 1.15 N 5.785 -4.219 1.62 C 4.517 -4.743 1.67 C 3.456 -4.018 1.3 H 7.786 -4.808 1.37 H 8.43 -4.94 3.654 H 7.049 -3.881 3.894 H 5.072 -1.253 0.497 H 4.373 -5.766 2.017 N 2.031 -4.546 1.33 H 6.863 -5.625 4.087 H 7.467 -6.998 2.092 O 0.912 -3.68 0.896 O 1.762 -5.925 1.795 H 0.877 -2.822 1.5 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5245 estimate D2E/DX2 ! ! R2 R(1,3) 1.4178 estimate D2E/DX2 ! ! R3 R(1,9) 1.4905 estimate D2E/DX2 ! ! R4 R(1,12) 1.0895 estimate D2E/DX2 ! ! R5 R(2,13) 1.0897 estimate D2E/DX2 ! ! R6 R(2,14) 1.0899 estimate D2E/DX2 ! ! R7 R(2,18) 1.0896 estimate D2E/DX2 ! ! R8 R(3,19) 1.0501 estimate D2E/DX2 ! ! R9 R(4,5) 1.2354 estimate D2E/DX2 ! ! R10 R(5,6) 1.3785 estimate D2E/DX2 ! ! R11 R(5,11) 1.4458 estimate D2E/DX2 ! ! R12 R(6,7) 1.3854 estimate D2E/DX2 ! ! R13 R(6,15) 1.0301 estimate D2E/DX2 ! ! R14 R(7,8) 1.2168 estimate D2E/DX2 ! ! R15 R(7,9) 1.3676 estimate D2E/DX2 ! ! R16 R(9,10) 1.3729 estimate D2E/DX2 ! ! R17 R(10,11) 1.3373 estimate D2E/DX2 ! ! R18 R(10,16) 1.0898 estimate D2E/DX2 ! ! R19 R(11,17) 1.52 estimate D2E/DX2 ! ! R20 R(17,20) 1.48 estimate D2E/DX2 ! ! R21 R(17,21) 1.4799 estimate D2E/DX2 ! ! R22 R(20,22) 1.0499 estimate D2E/DX2 ! ! A1 A(2,1,3) 107.4466 estimate D2E/DX2 ! ! A2 A(2,1,9) 114.0473 estimate D2E/DX2 ! ! A3 A(2,1,12) 111.4235 estimate D2E/DX2 ! ! A4 A(3,1,9) 108.2291 estimate D2E/DX2 ! ! A5 A(3,1,12) 107.4271 estimate D2E/DX2 ! ! A6 A(9,1,12) 108.0276 estimate D2E/DX2 ! ! A7 A(1,2,13) 112.4643 estimate D2E/DX2 ! ! A8 A(1,2,14) 112.467 estimate D2E/DX2 ! ! A9 A(1,2,18) 108.1251 estimate D2E/DX2 ! ! A10 A(13,2,14) 107.4168 estimate D2E/DX2 ! ! A11 A(13,2,18) 108.0934 estimate D2E/DX2 ! ! A12 A(14,2,18) 108.1103 estimate D2E/DX2 ! ! A13 A(1,3,19) 109.5115 estimate D2E/DX2 ! ! A14 A(4,5,6) 120.6808 estimate D2E/DX2 ! ! A15 A(4,5,11) 125.6532 estimate D2E/DX2 ! ! A16 A(6,5,11) 113.6637 estimate D2E/DX2 ! ! A17 A(5,6,7) 126.6053 estimate D2E/DX2 ! ! A18 A(5,6,15) 116.6873 estimate D2E/DX2 ! ! A19 A(7,6,15) 116.7074 estimate D2E/DX2 ! ! A20 A(6,7,8) 121.6234 estimate D2E/DX2 ! ! A21 A(6,7,9) 115.255 estimate D2E/DX2 ! ! A22 A(8,7,9) 123.1202 estimate D2E/DX2 ! ! A23 A(1,9,7) 117.2492 estimate D2E/DX2 ! ! A24 A(1,9,10) 120.4731 estimate D2E/DX2 ! ! A25 A(7,9,10) 122.276 estimate D2E/DX2 ! ! A26 A(9,10,11) 121.0499 estimate D2E/DX2 ! ! A27 A(9,10,16) 119.4659 estimate D2E/DX2 ! ! A28 A(11,10,16) 119.4842 estimate D2E/DX2 ! ! A29 A(5,11,10) 121.1475 estimate D2E/DX2 ! ! A30 A(5,11,17) 115.4808 estimate D2E/DX2 ! ! A31 A(10,11,17) 123.3705 estimate D2E/DX2 ! ! A32 A(11,17,20) 119.9856 estimate D2E/DX2 ! ! A33 A(11,17,21) 120.0192 estimate D2E/DX2 ! ! A34 A(20,17,21) 119.9951 estimate D2E/DX2 ! ! A35 A(17,20,22) 109.5541 estimate D2E/DX2 ! ! D1 D(3,1,2,13) 93.2853 estimate D2E/DX2 ! ! D2 D(3,1,2,14) -145.2822 estimate D2E/DX2 ! ! D3 D(3,1,2,18) -25.9872 estimate D2E/DX2 ! ! D4 D(9,1,2,13) -146.7609 estimate D2E/DX2 ! ! D5 D(9,1,2,14) -25.3284 estimate D2E/DX2 ! ! D6 D(9,1,2,18) 93.9666 estimate D2E/DX2 ! ! D7 D(12,1,2,13) -24.137 estimate D2E/DX2 ! ! D8 D(12,1,2,14) 97.2954 estimate D2E/DX2 ! ! D9 D(12,1,2,18) -143.4095 estimate D2E/DX2 ! ! D10 D(2,1,3,19) -60.0064 estimate D2E/DX2 ! ! D11 D(9,1,3,19) 176.4057 estimate D2E/DX2 ! ! D12 D(12,1,3,19) 59.9898 estimate D2E/DX2 ! ! D13 D(2,1,9,7) 86.1914 estimate D2E/DX2 ! ! D14 D(2,1,9,10) -93.3356 estimate D2E/DX2 ! ! D15 D(3,1,9,7) -154.2957 estimate D2E/DX2 ! ! D16 D(3,1,9,10) 26.1773 estimate D2E/DX2 ! ! D17 D(12,1,9,7) -38.2695 estimate D2E/DX2 ! ! D18 D(12,1,9,10) 142.2035 estimate D2E/DX2 ! ! D19 D(4,5,6,7) 179.7596 estimate D2E/DX2 ! ! D20 D(4,5,6,15) -0.2538 estimate D2E/DX2 ! ! D21 D(11,5,6,7) 0.2858 estimate D2E/DX2 ! ! D22 D(11,5,6,15) -179.7276 estimate D2E/DX2 ! ! D23 D(4,5,11,10) -179.9149 estimate D2E/DX2 ! ! D24 D(4,5,11,17) 0.4666 estimate D2E/DX2 ! ! D25 D(6,5,11,10) -0.4719 estimate D2E/DX2 ! ! D26 D(6,5,11,17) 179.9096 estimate D2E/DX2 ! ! D27 D(5,6,7,8) 179.7327 estimate D2E/DX2 ! ! D28 D(5,6,7,9) 0.1589 estimate D2E/DX2 ! ! D29 D(15,6,7,8) -0.2539 estimate D2E/DX2 ! ! D30 D(15,6,7,9) -179.8277 estimate D2E/DX2 ! ! D31 D(6,7,9,1) -179.9757 estimate D2E/DX2 ! ! D32 D(6,7,9,10) -0.4579 estimate D2E/DX2 ! ! D33 D(8,7,9,1) 0.4576 estimate D2E/DX2 ! ! D34 D(8,7,9,10) 179.9755 estimate D2E/DX2 ! ! D35 D(1,9,10,11) 179.7861 estimate D2E/DX2 ! ! D36 D(1,9,10,16) -0.1988 estimate D2E/DX2 ! ! D37 D(7,9,10,11) 0.2834 estimate D2E/DX2 ! ! D38 D(7,9,10,16) -179.7014 estimate D2E/DX2 ! ! D39 D(9,10,11,5) 0.2159 estimate D2E/DX2 ! ! D40 D(9,10,11,17) 179.8035 estimate D2E/DX2 ! ! D41 D(16,10,11,5) -179.7992 estimate D2E/DX2 ! ! D42 D(16,10,11,17) -0.2116 estimate D2E/DX2 ! ! D43 D(5,11,17,20) -0.0468 estimate D2E/DX2 ! ! D44 D(5,11,17,21) -179.9529 estimate D2E/DX2 ! ! D45 D(10,11,17,20) -179.6558 estimate D2E/DX2 ! ! D46 D(10,11,17,21) 0.438 estimate D2E/DX2 ! ! D47 D(11,17,20,22) -59.9627 estimate D2E/DX2 ! ! D48 D(21,17,20,22) 119.9435 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= 115 maximum allowed number of steps= 132. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.958000 -5.037000 2.040000 2 6 0 7.355000 -4.850000 3.500000 3 8 0 6.632000 -6.405000 1.860000 4 8 0 2.687000 -1.916000 0.470000 5 6 0 3.606000 -2.659000 0.830000 6 7 0 4.912000 -2.218000 0.820000 7 6 0 6.031000 -2.941000 1.200000 8 8 0 7.148000 -2.461000 1.150000 9 7 0 5.785000 -4.219000 1.620000 10 6 0 4.517000 -4.743000 1.670000 11 6 0 3.456000 -4.018000 1.300000 12 1 0 7.786000 -4.808000 1.370000 13 1 0 8.430000 -4.940000 3.654000 14 1 0 7.049000 -3.881000 3.894000 15 1 0 5.072000 -1.253000 0.497000 16 1 0 4.373000 -5.766000 2.017000 17 7 0 2.031000 -4.546000 1.330000 18 1 0 6.863000 -5.625000 4.087000 19 1 0 7.467000 -6.998000 2.092000 20 8 0 0.912000 -3.680000 0.896000 21 8 0 1.762000 -5.925000 1.795000 22 1 0 0.877000 -2.822000 1.500000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524525 0.000000 3 O 1.417780 2.372837 0.000000 4 O 5.517878 6.291222 6.135654 0.000000 5 C 4.284260 5.097488 4.924438 1.235399 0.000000 6 N 3.690701 4.480856 4.644456 2.272516 1.378484 7 C 2.440931 3.269137 3.577163 3.572935 2.469220 8 O 2.732028 3.357480 4.040482 4.545321 3.561933 9 N 1.490454 2.529320 2.356609 4.027892 2.793876 10 C 2.486326 3.378549 2.696585 3.575029 2.424578 11 C 3.721554 4.553507 4.012274 2.387188 1.445780 12 H 1.089461 2.173574 2.030326 5.930722 4.730983 13 H 2.186593 1.089698 2.932143 7.229418 6.037294 14 H 2.186763 1.089878 3.268275 5.883200 4.768189 15 H 4.500722 5.212342 5.552880 2.475585 2.058369 16 H 2.685925 3.454080 2.352881 4.478650 3.413313 17 N 5.002051 5.757282 4.990589 2.843736 2.508265 18 H 2.131895 1.089614 2.370926 6.654198 5.478435 19 H 2.026649 2.570780 1.050094 7.162821 5.943642 20 O 6.301135 7.047125 6.408847 2.538464 2.881741 21 O 5.277024 5.945107 4.894030 4.322422 3.872766 22 H 6.494335 7.076529 6.788779 2.271087 2.814766 6 7 8 9 10 6 N 0.000000 7 C 1.385384 0.000000 8 O 2.273245 1.216795 0.000000 9 N 2.325109 1.367553 2.273595 0.000000 10 C 2.693353 2.400062 3.521375 1.372917 0.000000 11 C 2.364389 2.792947 4.009690 2.359458 1.337253 12 H 3.907746 2.567998 2.442100 2.100815 3.283380 13 H 5.274198 3.971564 3.749531 3.413652 4.391655 14 H 4.096561 3.029449 3.091236 2.623550 3.478540 15 H 1.030123 2.064760 2.489066 3.250639 3.723447 16 H 3.783072 3.375956 4.401743 2.131798 1.089805 17 N 3.738963 4.311951 5.528410 3.779358 2.516864 18 H 5.107577 4.028753 4.326441 3.037270 3.481886 19 H 5.567262 4.395112 4.644728 3.282491 3.737059 20 O 4.259486 5.180994 6.359102 4.955888 3.837326 21 O 4.961348 5.242389 6.436173 4.373281 3.000462 22 H 4.136235 5.164095 6.291126 5.104358 4.119313 11 12 13 14 15 11 C 0.000000 12 H 4.402034 0.000000 13 H 5.579613 2.376724 0.000000 14 H 4.433650 2.788023 1.756770 0.000000 15 H 3.301740 4.556967 5.902269 4.728057 0.000000 16 H 2.100115 3.603463 4.452111 3.773239 4.813125 17 N 1.519970 5.761100 6.819341 5.674209 4.559103 18 H 4.685880 2.983539 1.764144 1.764478 5.933815 19 H 5.059228 2.327906 2.757277 3.624585 6.425346 20 O 2.597960 6.982044 8.106447 6.833094 4.832715 21 O 2.598328 6.141408 6.992019 6.044510 5.870987 22 H 2.849852 7.189950 8.134706 6.704200 4.589749 16 17 18 19 20 16 H 0.000000 17 N 2.728614 0.000000 18 H 3.241123 5.666879 0.000000 19 H 3.331109 6.011909 2.495991 0.000000 20 O 4.193633 1.480025 7.027084 7.443626 0.000000 21 O 2.625240 1.479942 5.600309 5.812621 2.563343 22 H 4.599613 2.081536 7.097998 7.824164 1.049860 21 22 21 O 0.000000 22 H 3.240194 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.570439 -0.549686 -0.201319 2 6 0 3.235374 -0.722019 1.159688 3 8 0 2.455440 -1.836945 -0.784277 4 8 0 -2.413912 1.806009 0.030918 5 6 0 -1.324232 1.226409 -0.022681 6 7 0 -0.148058 1.943360 -0.075713 7 6 0 1.134640 1.423138 -0.133553 8 8 0 2.113808 2.143846 -0.182541 9 7 0 1.210732 0.057722 -0.140424 10 6 0 0.094113 -0.739071 -0.084009 11 6 0 -1.131042 -0.206404 -0.024785 12 1 0 3.181295 0.057321 -0.868644 13 1 0 4.317152 -0.599430 1.113104 14 1 0 2.858632 -0.016100 1.899672 15 1 0 -0.231524 2.970090 -0.072160 16 1 0 0.208201 -1.822882 -0.087306 17 7 0 -2.402140 -1.037700 0.034933 18 1 0 3.024043 -1.730169 1.514980 19 1 0 3.410710 -2.259120 -0.893478 20 8 0 -3.721314 -0.369047 0.091109 21 8 0 -2.320898 -2.515404 0.039015 22 1 0 -3.772997 0.234732 0.948421 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0797933 0.4873312 0.3533652 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 929.2988003369 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.46D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.298311389 A.U. after 17 cycles NFock= 17 Conv=0.71D-08 -V/T= 2.0034 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.49450 -20.42348 -20.41408 -20.40625 -20.27468 Alpha occ. eigenvalues -- -15.51065 -15.50981 -15.43501 -11.28910 -11.24468 Alpha occ. eigenvalues -- -11.24256 -11.13876 -11.13445 -11.13155 -1.31290 Alpha occ. eigenvalues -- -1.27790 -1.25568 -1.17068 -1.16186 -1.11633 Alpha occ. eigenvalues -- -1.00329 -0.94337 -0.91313 -0.79832 -0.79444 Alpha occ. eigenvalues -- -0.75350 -0.69938 -0.64209 -0.60043 -0.58526 Alpha occ. eigenvalues -- -0.56453 -0.55173 -0.53713 -0.52170 -0.50004 Alpha occ. eigenvalues -- -0.48627 -0.46798 -0.46096 -0.44649 -0.43387 Alpha occ. eigenvalues -- -0.41637 -0.39364 -0.38076 -0.35601 -0.35202 Alpha occ. eigenvalues -- -0.34617 -0.32024 -0.30412 -0.28321 -0.25133 Alpha occ. eigenvalues -- -0.19453 -0.17427 -0.06879 Alpha virt. eigenvalues -- 0.25827 0.27429 0.30626 0.34166 0.35529 Alpha virt. eigenvalues -- 0.36557 0.37730 0.38890 0.41303 0.43649 Alpha virt. eigenvalues -- 0.47042 0.47524 0.49785 0.50452 0.52306 Alpha virt. eigenvalues -- 0.55275 0.56455 0.57810 0.62212 0.63333 Alpha virt. eigenvalues -- 0.66643 0.68708 0.71499 0.75386 0.79001 Alpha virt. eigenvalues -- 0.80993 0.83946 0.86364 0.87871 0.88132 Alpha virt. eigenvalues -- 0.92026 0.94726 0.96207 0.97993 0.99060 Alpha virt. eigenvalues -- 1.00447 1.02161 1.04247 1.05856 1.08116 Alpha virt. eigenvalues -- 1.08438 1.10236 1.12001 1.14119 1.16432 Alpha virt. eigenvalues -- 1.17836 1.18639 1.20055 1.20924 1.23180 Alpha virt. eigenvalues -- 1.23409 1.24115 1.24877 1.26281 1.27639 Alpha virt. eigenvalues -- 1.29499 1.30596 1.31711 1.32593 1.33417 Alpha virt. eigenvalues -- 1.36259 1.39146 1.40312 1.41243 1.42780 Alpha virt. eigenvalues -- 1.46808 1.47307 1.47608 1.51413 1.51789 Alpha virt. eigenvalues -- 1.52630 1.55759 1.57518 1.57539 1.59579 Alpha virt. eigenvalues -- 1.65528 1.66367 1.70134 1.71351 1.73421 Alpha virt. eigenvalues -- 1.76312 1.77681 1.79273 1.81892 1.83713 Alpha virt. eigenvalues -- 1.86432 1.87045 1.88687 1.88812 1.92581 Alpha virt. eigenvalues -- 1.97460 1.97895 2.01441 2.02245 2.07770 Alpha virt. eigenvalues -- 2.10799 2.14009 2.17555 2.18657 2.20941 Alpha virt. eigenvalues -- 2.21684 2.22343 2.25074 2.25695 2.27964 Alpha virt. eigenvalues -- 2.29664 2.30143 2.30928 2.32616 2.34113 Alpha virt. eigenvalues -- 2.36598 2.37532 2.38083 2.41001 2.41278 Alpha virt. eigenvalues -- 2.43243 2.44299 2.50344 2.51702 2.52004 Alpha virt. eigenvalues -- 2.53386 2.57201 2.60058 2.62466 2.63391 Alpha virt. eigenvalues -- 2.66401 2.70736 2.73020 2.75243 2.76838 Alpha virt. eigenvalues -- 2.79475 2.80539 2.82068 2.86871 2.88018 Alpha virt. eigenvalues -- 2.91436 2.94207 2.96288 2.97824 2.98660 Alpha virt. eigenvalues -- 3.03168 3.08529 3.09879 3.12651 3.14919 Alpha virt. eigenvalues -- 3.15943 3.17563 3.24344 3.32705 3.34312 Alpha virt. eigenvalues -- 3.38705 3.41738 3.46514 3.49211 3.51562 Alpha virt. eigenvalues -- 3.57118 3.65475 3.80847 3.97462 4.18656 Alpha virt. eigenvalues -- 4.32306 4.36012 4.54097 4.55569 4.58800 Alpha virt. eigenvalues -- 4.62203 4.72134 4.80663 4.82852 5.02073 Alpha virt. eigenvalues -- 5.04405 5.19924 5.34847 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.493559 0.349629 0.215992 0.000001 -0.000181 0.002611 2 C 0.349629 5.234370 -0.069065 -0.000000 0.000032 -0.000124 3 O 0.215992 -0.069065 8.425391 0.000000 0.000008 -0.000019 4 O 0.000001 -0.000000 0.000000 8.227404 0.595862 -0.090016 5 C -0.000181 0.000032 0.000008 0.595862 4.148734 0.228404 6 N 0.002611 -0.000124 -0.000019 -0.090016 0.228404 7.508704 7 C -0.025829 -0.001742 0.001315 0.000843 -0.019023 0.297405 8 O 0.003002 0.001046 0.000162 -0.000018 0.000847 -0.086247 9 N 0.255636 -0.067233 -0.040606 -0.000056 -0.003529 -0.113895 10 C -0.033577 0.001610 -0.007166 0.003994 -0.061408 -0.001467 11 C -0.000167 -0.000263 -0.000460 -0.085142 0.327293 -0.100171 12 H 0.429556 -0.059648 -0.037949 -0.000000 -0.000019 0.000189 13 H -0.032888 0.377228 0.002086 0.000000 -0.000000 0.000001 14 H -0.028312 0.378871 0.003371 0.000000 0.000003 -0.000082 15 H -0.000048 0.000002 0.000000 0.006298 -0.011451 0.297838 16 H -0.003087 0.000036 0.003568 -0.000024 0.003302 -0.000293 17 N -0.000021 -0.000001 -0.000001 0.000526 -0.034539 0.001316 18 H -0.038106 0.381546 0.000344 0.000000 -0.000001 0.000002 19 H -0.025098 0.000078 0.251752 -0.000000 -0.000000 0.000002 20 O 0.000000 -0.000000 -0.000000 -0.025918 0.003884 -0.000076 21 O -0.000001 0.000000 -0.000000 0.000015 0.001404 -0.000012 22 H 0.000000 0.000000 -0.000000 0.004695 0.000696 0.000062 7 8 9 10 11 12 1 C -0.025829 0.003002 0.255636 -0.033577 -0.000167 0.429556 2 C -0.001742 0.001046 -0.067233 0.001610 -0.000263 -0.059648 3 O 0.001315 0.000162 -0.040606 -0.007166 -0.000460 -0.037949 4 O 0.000843 -0.000018 -0.000056 0.003994 -0.085142 -0.000000 5 C -0.019023 0.000847 -0.003529 -0.061408 0.327293 -0.000019 6 N 0.297405 -0.086247 -0.113895 -0.001467 -0.100171 0.000189 7 C 3.785579 0.625751 0.326032 -0.039799 -0.003744 -0.002549 8 O 0.625751 8.234174 -0.104735 0.001214 -0.000068 0.006724 9 N 0.326032 -0.104735 7.507385 0.122907 -0.028162 -0.048193 10 C -0.039799 0.001214 0.122907 5.102387 0.568438 0.003489 11 C -0.003744 -0.000068 -0.028162 0.568438 5.015656 0.000153 12 H -0.002549 0.006724 -0.048193 0.003489 0.000153 0.514638 13 H -0.000054 -0.000109 0.003927 -0.000068 0.000003 -0.002135 14 H 0.000723 0.000969 -0.002959 0.000520 -0.000020 0.002049 15 H -0.013019 0.003679 0.003705 -0.001188 0.005918 -0.000002 16 H 0.001335 -0.000048 -0.030976 0.355249 -0.015549 0.000176 17 N 0.000141 -0.000000 0.001877 -0.060708 0.305225 0.000000 18 H 0.000179 0.000024 0.000045 0.000351 0.000028 0.004170 19 H -0.000011 0.000007 0.004885 0.000318 0.000023 -0.003475 20 O 0.000000 -0.000000 -0.000004 0.002545 -0.041757 -0.000000 21 O 0.000003 -0.000000 0.000304 0.011165 -0.049652 -0.000000 22 H -0.000003 0.000000 -0.000004 -0.000150 -0.001632 -0.000000 13 14 15 16 17 18 1 C -0.032888 -0.028312 -0.000048 -0.003087 -0.000021 -0.038106 2 C 0.377228 0.378871 0.000002 0.000036 -0.000001 0.381546 3 O 0.002086 0.003371 0.000000 0.003568 -0.000001 0.000344 4 O 0.000000 0.000000 0.006298 -0.000024 0.000526 0.000000 5 C -0.000000 0.000003 -0.011451 0.003302 -0.034539 -0.000001 6 N 0.000001 -0.000082 0.297838 -0.000293 0.001316 0.000002 7 C -0.000054 0.000723 -0.013019 0.001335 0.000141 0.000179 8 O -0.000109 0.000969 0.003679 -0.000048 -0.000000 0.000024 9 N 0.003927 -0.002959 0.003705 -0.030976 0.001877 0.000045 10 C -0.000068 0.000520 -0.001188 0.355249 -0.060708 0.000351 11 C 0.000003 -0.000020 0.005918 -0.015549 0.305225 0.000028 12 H -0.002135 0.002049 -0.000002 0.000176 0.000000 0.004170 13 H 0.557695 -0.023389 -0.000000 -0.000006 -0.000000 -0.028780 14 H -0.023389 0.499760 0.000002 0.000021 0.000000 -0.020210 15 H -0.000000 0.000002 0.301708 0.000010 -0.000041 -0.000000 16 H -0.000006 0.000021 0.000010 0.378129 -0.003888 0.000129 17 N -0.000000 0.000000 -0.000041 -0.003888 6.675930 -0.000000 18 H -0.028780 -0.020210 -0.000000 0.000129 -0.000000 0.519398 19 H 0.000229 0.000080 -0.000000 -0.000045 -0.000000 -0.000416 20 O 0.000000 -0.000000 0.000010 0.000140 0.134304 -0.000000 21 O 0.000000 -0.000000 0.000000 0.018667 0.102354 -0.000000 22 H -0.000000 -0.000000 -0.000001 -0.000015 -0.030249 0.000000 19 20 21 22 1 C -0.025098 0.000000 -0.000001 0.000000 2 C 0.000078 -0.000000 0.000000 0.000000 3 O 0.251752 -0.000000 -0.000000 -0.000000 4 O -0.000000 -0.025918 0.000015 0.004695 5 C -0.000000 0.003884 0.001404 0.000696 6 N 0.000002 -0.000076 -0.000012 0.000062 7 C -0.000011 0.000000 0.000003 -0.000003 8 O 0.000007 -0.000000 -0.000000 0.000000 9 N 0.004885 -0.000004 0.000304 -0.000004 10 C 0.000318 0.002545 0.011165 -0.000150 11 C 0.000023 -0.041757 -0.049652 -0.001632 12 H -0.003475 -0.000000 -0.000000 -0.000000 13 H 0.000229 0.000000 0.000000 -0.000000 14 H 0.000080 -0.000000 -0.000000 -0.000000 15 H -0.000000 0.000010 0.000000 -0.000001 16 H -0.000045 0.000140 0.018667 -0.000015 17 N -0.000000 0.134304 0.102354 -0.030249 18 H -0.000416 -0.000000 -0.000000 0.000000 19 H 0.344199 0.000000 -0.000000 -0.000000 20 O 0.000000 8.318988 -0.021822 0.227538 21 O -0.000000 -0.021822 8.614143 0.001519 22 H -0.000000 0.227538 0.001519 0.394075 Mulliken charges: 1 1 C 0.437327 2 C -0.526371 3 O -0.748722 4 O -0.638461 5 C 0.819684 6 N -0.944132 7 C 1.066466 8 O -0.686373 9 N -0.786351 10 C 0.031345 11 C 0.104051 12 H 0.192826 13 H 0.146261 14 H 0.188603 15 H 0.406578 16 H 0.293170 17 N -0.092224 18 H 0.181298 19 H 0.427474 20 O -0.597830 21 O -0.678087 22 H 0.403469 Sum of Mulliken charges = -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.630153 2 C -0.010210 3 O -0.321248 4 O -0.638461 5 C 0.819684 6 N -0.537553 7 C 1.066466 8 O -0.686373 9 N -0.786351 10 C 0.324515 11 C 0.104051 17 N -0.092224 20 O -0.194361 21 O -0.678087 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147350171 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= 1.54D+01 NSMCal= 2628 NSMKep= 2244 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 2244 NTPThr= 100 NPartT= 1 Incr= 22 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 22. PRISM was handed 2147138034 working-precision words and 2244 shell-pairs IPart= 0 NShTot= 2244 NBatch= 50 AvBLen= 44.9 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 23. Electronic moments (au): -106.00000000 4.99632706 1.81894841 0.63907979 -1999.40275001 -886.93966349 -144.64393687 -21.75393689 -3.65291354 0.71854418 698.44117704 -71.03462748 -112.46578387 198.53554725 1424.75755166 -503.29726944 -436.90647189 145.32996184 174.03485314 -21.52122199 -66097.38713366 -15050.40940341 -936.46916542 1253.19675432 -1874.02855035 -2665.47084883 -130.75501699 -680.72787139 77.75665113 -14536.77236938 -3942.25735697 -1000.28186229 248.83696040 804.86969082 766.98675197 Electronic spatial extent (au): = 3030.9864 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 105.00000000 0.00000000 -0.00000000 -0.00000000 1913.17355008 806.60248971 84.05173835 0.00000000 0.00000000 -0.00000000 -503.07815342 121.83963255 111.77075392 -130.96711254 -1433.03971161 517.21141358 429.71781025 -138.92769226 -176.08122273 24.12243769 59073.70280753 11983.96383225 455.84009528 -1991.60360921 1520.35415633 2179.83428356 164.28854206 622.78768672 -63.14856701 12527.68327419 2826.74576150 435.37901994 -151.18000227 -821.69778059 -791.46931930 Total moments (au): -1.00000000 4.99632706 1.81894841 0.63907979 -86.22919993 -80.33717378 -60.59219852 -21.75393689 -3.65291354 0.71854418 195.36302363 50.80500507 -0.69502995 67.56843471 -8.28215995 13.91414414 -7.18866164 6.40226958 -2.04636958 2.60121570 -7023.68432613 -3066.44557116 -480.62907013 -738.40685489 -353.67439402 -485.63656527 33.53352507 -57.94018468 14.60808412 -2009.08909519 -1115.51159547 -564.90284235 97.65695813 -16.82808977 -24.48256733 Traceless Quadrup. (au): -10.50967585 -4.61764971 15.12732556 -21.75393689 -3.65291354 0.71854418 Charge= -1.0000 electrons Dipole moment (field-independent basis, Debye): X= 12.6994 Y= 4.6233 Z= 1.6244 Tot= 13.6121 Quadrupole moment (field-independent basis, Debye-Ang): XX= -115.9812 YY= -108.0563 ZZ= -81.4986 XY= -29.2598 XZ= -4.9133 YZ= 0.9665 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -14.1359 YY= -6.2109 ZZ= 20.3468 XY= -29.2598 XZ= -4.9133 YZ= 0.9665 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 139.0519 YYY= 36.1610 ZZZ= -0.4947 XYY= 48.0926 XXY= -5.8949 XXZ= 9.9036 XZZ= -5.1166 YZZ= 4.5569 YYZ= -1.4565 XYZ= 1.8514 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -2645.4563 YYYY= -1154.9704 ZZZZ= -181.0280 XXXY= -278.1194 XXXZ= -133.2107 YYYX= -182.9140 YYYZ= 12.6303 ZZZX= -21.8231 ZZZY= 5.5021 XXYY= -756.7193 XXZZ= -420.1552 YYZZ= -212.7695 XXYZ= 36.7823 YYXZ= -6.3383 ZZXY= -9.2213 N-N= 9.292988003369D+02 E-N=-3.684878456430D+03 KE= 7.666647918693D+02 Entering OneElI... OneElI was handed 2147375024 working-precision words. Calculate electrostatic properties NBasis = 226 MinDer = 0 MaxDer = 0 NGrid = 22 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 29.89 SMaxX= 15.29 Shift= 7.129931 4.753425 1.688429 Box 1 Number 0 centers from 1 to 72: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 2.99D+01 RnKept= 1.54D+01 NSMCal= 2628 NSMKep= 2100 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 46200 NTPThr= 100 NPartT= 12 Incr= 38 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 38. PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs PRISM was handed 178868416 working-precision words and 2100 shell-pairs IPart= 0 NShTot= 4378 NBatch= 199 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 5 NShTot= 3916 NBatch= 178 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 3850 NBatch= 175 AvBLen= 22.0 IPart= 7 NShTot= 3740 NBatch= 170 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 3432 NBatch= 156 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 9 NShTot= 3564 NBatch= 162 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 10 NShTot= 3476 NBatch= 158 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 3608 NBatch= 164 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 3938 NBatch= 179 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 2 NShTot= 4048 NBatch= 184 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 3 NShTot= 3982 NBatch= 181 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 4268 NBatch= 194 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 457. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.066298 -0.171125 0.237422 2 Atom -0.014822 0.034895 -0.020074 3 Atom -0.753577 -0.866117 1.619694 4 Atom -0.444317 1.156828 -0.712511 5 Atom 0.162210 0.375504 -0.537714 6 Atom -0.415100 -0.433978 0.849077 7 Atom 0.223487 0.196117 -0.419604 8 Atom -0.245086 0.515855 -0.270769 9 Atom -0.474136 -0.503162 0.977297 10 Atom -0.029872 0.139350 -0.109477 11 Atom 0.096192 0.027046 -0.123238 12 Atom -0.000659 0.012385 -0.011726 13 Atom -0.302150 0.155722 0.146429 14 Atom 0.097625 -0.036751 -0.060874 15 Atom 0.142922 -0.345595 0.202673 16 Atom 0.126131 -0.283976 0.157845 17 Atom -1.330961 -0.695309 2.026270 18 Atom 0.137301 -0.236577 0.099277 19 Atom -0.192997 0.054598 0.138399 20 Atom -1.123957 0.926684 0.197272 21 Atom 1.650051 -3.928442 2.278390 22 Atom 0.101721 0.025355 -0.127075 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.128459 -0.019876 -0.237215 2 Atom 0.009573 -0.011402 0.025728 3 Atom 0.859373 0.184448 -1.207284 4 Atom 1.188975 -0.000561 -0.042136 5 Atom -0.158263 -0.034653 0.009219 6 Atom 0.062496 0.051172 -0.003870 7 Atom 0.119638 -0.030862 0.000709 8 Atom -1.218295 0.026094 0.046816 9 Atom 0.087930 0.063998 0.001699 10 Atom -0.214287 -0.002893 0.015731 11 Atom -0.130104 -0.008723 0.005630 12 Atom -0.129244 0.150437 0.145762 13 Atom -0.050794 0.022875 0.003174 14 Atom 0.106055 0.101959 -0.201725 15 Atom 0.036869 0.002638 -0.001775 16 Atom 0.056933 -0.001239 -0.000002 17 Atom 0.255676 0.242991 -0.044079 18 Atom -0.080375 0.025680 0.138791 19 Atom 0.131609 0.030254 -0.031888 20 Atom 1.639039 0.079892 -1.556212 21 Atom 0.522731 0.044956 -0.042170 22 Atom 0.023480 0.000572 -0.190136 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.4887 2.347 0.838 0.783 -0.6578 0.7527 0.0273 6 N(14) Bbb -0.3624 1.741 0.621 0.581 0.7521 0.6584 -0.0297 Bcc 0.8511 -4.088 -1.459 -1.364 0.0403 -0.0010 0.9992 Baa -0.5788 2.780 0.992 0.927 -0.6523 0.7576 0.0260 9 N(14) Bbb -0.4013 1.927 0.688 0.643 0.7567 0.6528 -0.0359 Bcc 0.9801 -4.707 -1.680 -1.570 0.0442 0.0038 0.9990 Baa -1.4382 6.907 2.465 2.304 0.9419 -0.3283 -0.0702 17 N(14) Bbb -0.6058 2.909 1.038 0.970 0.3282 0.9445 -0.0145 Bcc 2.0440 -9.817 -3.503 -3.275 0.0711 -0.0094 0.9974 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon May 6 16:17:35 2024, MaxMem= 2147483648 cpu: 1.2 elap: 0.1 FitSet: NAtFit= 22 NAtPot= 22 NAtFrz= 0 MDM= 26 TotChg= -1.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 8 1.40 5 6 1.50 6 7 1.50 7 6 1.50 8 8 1.40 9 7 1.50 10 6 1.50 11 6 1.50 12 1 1.20 13 1 1.20 14 1 1.20 15 1 1.20 16 1 1.20 17 7 1.50 18 1 1.20 19 1 1.20 20 8 1.40 21 8 1.40 22 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 2.570439 -0.549686 -0.201319 Atomic Center 2 is at 3.235374 -0.722019 1.159688 Atomic Center 3 is at 2.455440 -1.836945 -0.784277 Atomic Center 4 is at -2.413912 1.806009 0.030918 Atomic Center 5 is at -1.324232 1.226409 -0.022681 Atomic Center 6 is at -0.148058 1.943360 -0.075713 Atomic Center 7 is at 1.134640 1.423138 -0.133553 Atomic Center 8 is at 2.113808 2.143846 -0.182541 Atomic Center 9 is at 1.210732 0.057722 -0.140424 Atomic Center 10 is at 0.094113 -0.739071 -0.084009 Atomic Center 11 is at -1.131042 -0.206404 -0.024785 Atomic Center 12 is at 3.181295 0.057321 -0.868644 Atomic Center 13 is at 4.317152 -0.599430 1.113104 Atomic Center 14 is at 2.858632 -0.016100 1.899672 Atomic Center 15 is at -0.231524 2.970090 -0.072160 Atomic Center 16 is at 0.208201 -1.822882 -0.087306 Atomic Center 17 is at -2.402140 -1.037700 0.034933 Atomic Center 18 is at 3.024043 -1.730169 1.514980 Atomic Center 19 is at 3.410710 -2.259120 -0.893478 Atomic Center 20 is at -3.721314 -0.369047 0.091109 Atomic Center 21 is at -2.320898 -2.515404 0.039015 Atomic Center 22 is at -3.772997 0.234732 0.948421 ESP Fit Center 23 is at 4.587927 -0.964290 -0.611009 ESP Fit Center 24 is at 1.874470 -0.147868 -2.141466 ESP Fit Center 25 is at 1.766803 -0.549686 -2.141466 ESP Fit Center 26 is at 2.160749 -0.549686 -2.260968 ESP Fit Center 27 is at 3.645064 -0.722019 3.219337 ESP Fit Center 28 is at 3.030529 -1.076821 3.219337 ESP Fit Center 29 is at 3.440219 -1.076821 3.219337 ESP Fit Center 30 is at 4.039009 -0.722019 3.099835 ESP Fit Center 31 is at 3.637192 -1.417988 3.099835 ESP Fit Center 32 is at 3.931343 -1.123837 3.099835 ESP Fit Center 33 is at 4.402071 -0.722019 2.905774 ESP Fit Center 34 is at 4.323287 -0.300560 2.905774 ESP Fit Center 35 is at 4.097574 -1.508018 2.905774 ESP Fit Center 36 is at 4.323287 -1.143479 2.905774 ESP Fit Center 37 is at 4.484572 0.080791 2.644612 ESP Fit Center 38 is at 1.810600 -1.140371 2.644612 ESP Fit Center 39 is at 4.484572 -1.524830 2.644612 ESP Fit Center 40 is at 1.540026 -1.139885 2.326386 ESP Fit Center 41 is at 4.542338 -1.879889 2.326386 ESP Fit Center 42 is at 1.306600 -0.931786 1.963323 ESP Fit Center 43 is at 1.396788 -1.341511 1.963323 ESP Fit Center 44 is at 4.324854 1.025890 1.569378 ESP Fit Center 45 is at 1.270182 -1.338602 1.569378 ESP Fit Center 46 is at 4.654404 -2.214838 1.569378 ESP Fit Center 47 is at 4.039009 1.218128 1.159688 ESP Fit Center 48 is at 3.645064 1.337630 1.159688 ESP Fit Center 49 is at 3.950701 1.209421 0.749998 ESP Fit Center 50 is at 4.324854 -2.469929 0.749998 ESP Fit Center 51 is at 4.654404 -2.214838 0.749998 ESP Fit Center 52 is at 4.144155 0.992124 0.356053 ESP Fit Center 53 is at 3.754418 1.147409 0.356053 ESP Fit Center 54 is at 1.761170 -2.756308 0.801397 ESP Fit Center 55 is at 1.501594 -2.937742 0.527219 ESP Fit Center 56 is at 1.850362 -3.161882 0.527219 ESP Fit Center 57 is at 2.248150 -3.278683 0.527219 ESP Fit Center 58 is at 2.662731 -3.278683 0.527219 ESP Fit Center 59 is at 3.060519 -3.161882 0.527219 ESP Fit Center 60 is at 1.373471 -3.144822 0.195723 ESP Fit Center 61 is at 1.732718 -3.372807 0.195723 ESP Fit Center 62 is at 2.137377 -3.504289 0.195723 ESP Fit Center 63 is at 2.562022 -3.531005 0.195723 ESP Fit Center 64 is at 1.293211 -3.294334 -0.178603 ESP Fit Center 65 is at 1.646650 -3.516415 -0.178603 ESP Fit Center 66 is at 2.040645 -3.654279 -0.178603 ESP Fit Center 67 is at 2.455440 -3.701016 -0.178603 ESP Fit Center 68 is at 1.361539 -3.450328 -0.579401 ESP Fit Center 69 is at 1.733944 -3.647765 -0.579401 ESP Fit Center 70 is at 2.140085 -3.760529 -0.579401 ESP Fit Center 71 is at 2.560971 -3.783349 -0.579401 ESP Fit Center 72 is at 1.040284 -3.177452 -0.989152 ESP Fit Center 73 is at 1.361539 -3.450328 -0.989152 ESP Fit Center 74 is at 1.733944 -3.647765 -0.989152 ESP Fit Center 75 is at 2.140085 -3.760529 -0.989152 ESP Fit Center 76 is at 2.560971 -3.783349 -0.989152 ESP Fit Center 77 is at 0.998051 -2.999174 -1.389950 ESP Fit Center 78 is at 1.293211 -3.294334 -1.389950 ESP Fit Center 79 is at 1.646650 -3.516415 -1.389950 ESP Fit Center 80 is at 2.040645 -3.654279 -1.389950 ESP Fit Center 81 is at 2.455440 -3.701016 -1.389950 ESP Fit Center 82 is at 0.771415 -2.049687 -1.764277 ESP Fit Center 83 is at 0.877229 -2.461803 -1.764277 ESP Fit Center 84 is at 1.082207 -2.834657 -1.764277 ESP Fit Center 85 is at 1.373471 -3.144822 -1.764277 ESP Fit Center 86 is at 1.732718 -3.372807 -1.764277 ESP Fit Center 87 is at 2.137377 -3.504289 -1.764277 ESP Fit Center 88 is at 2.562022 -3.531005 -1.764277 ESP Fit Center 89 is at 3.680780 -1.049467 -2.095773 ESP Fit Center 90 is at 1.501594 -0.736147 -2.095773 ESP Fit Center 91 is at 1.230101 -1.049467 -2.095773 ESP Fit Center 92 is at 1.057877 -1.426583 -2.095773 ESP Fit Center 93 is at 0.998876 -1.836945 -2.095773 ESP Fit Center 94 is at 1.057877 -2.247306 -2.095773 ESP Fit Center 95 is at 1.230101 -2.624423 -2.095773 ESP Fit Center 96 is at 1.501594 -2.937742 -2.095773 ESP Fit Center 97 is at 1.850362 -3.161882 -2.095773 ESP Fit Center 98 is at 2.248150 -3.278683 -2.095773 ESP Fit Center 99 is at 2.662731 -3.278683 -2.095773 ESP Fit Center 100 is at 3.529703 -1.420773 -2.369950 ESP Fit Center 101 is at 3.306822 -1.060808 -2.369950 ESP Fit Center 102 is at 2.968957 -0.805664 -2.369950 ESP Fit Center 103 is at 2.561739 -0.689800 -2.369950 ESP Fit Center 104 is at 2.140164 -0.728865 -2.369950 ESP Fit Center 105 is at 1.761170 -0.917582 -2.369950 ESP Fit Center 106 is at 1.475940 -1.230464 -2.369950 ESP Fit Center 107 is at 1.322997 -1.625255 -2.369950 ESP Fit Center 108 is at 1.322997 -2.048635 -2.369950 ESP Fit Center 109 is at 1.475940 -2.443426 -2.369950 ESP Fit Center 110 is at 1.761170 -2.756308 -2.369950 ESP Fit Center 111 is at 2.140164 -2.945025 -2.369950 ESP Fit Center 112 is at 2.561739 -2.984089 -2.369950 ESP Fit Center 113 is at 3.252644 -1.836945 -2.574826 ESP Fit Center 114 is at 3.145839 -1.438343 -2.574826 ESP Fit Center 115 is at 2.854042 -1.146546 -2.574826 ESP Fit Center 116 is at 2.455440 -1.039741 -2.574826 ESP Fit Center 117 is at 2.056838 -1.146546 -2.574826 ESP Fit Center 118 is at 1.765042 -1.438343 -2.574826 ESP Fit Center 119 is at 1.658236 -1.836945 -2.574826 ESP Fit Center 120 is at 1.765042 -2.235547 -2.574826 ESP Fit Center 121 is at 2.056838 -2.527344 -2.574826 ESP Fit Center 122 is at 2.455440 -2.634149 -2.574826 ESP Fit Center 123 is at 2.854042 -2.527344 -2.574826 ESP Fit Center 124 is at 3.145839 -2.235547 -2.574826 ESP Fit Center 125 is at 2.862947 -1.836945 -2.701446 ESP Fit Center 126 is at 2.659194 -1.484033 -2.701446 ESP Fit Center 127 is at 2.251687 -1.484033 -2.701446 ESP Fit Center 128 is at 2.047933 -1.836945 -2.701446 ESP Fit Center 129 is at 2.251687 -2.189856 -2.701446 ESP Fit Center 130 is at 2.659194 -2.189856 -2.701446 ESP Fit Center 131 is at 2.455440 -1.836945 -2.744277 ESP Fit Center 132 is at -2.413912 1.806009 1.990918 ESP Fit Center 133 is at -2.006405 1.806009 1.948087 ESP Fit Center 134 is at -2.210158 2.158921 1.948087 ESP Fit Center 135 is at -2.617665 2.158921 1.948087 ESP Fit Center 136 is at -2.821419 1.806009 1.948087 ESP Fit Center 137 is at -2.617665 1.453098 1.948087 ESP Fit Center 138 is at -2.210158 1.453098 1.948087 ESP Fit Center 139 is at -1.723513 2.204611 1.821467 ESP Fit Center 140 is at -2.015310 2.496408 1.821467 ESP Fit Center 141 is at -2.413912 2.603213 1.821467 ESP Fit Center 142 is at -2.812514 2.496408 1.821467 ESP Fit Center 143 is at -3.104310 2.204611 1.821467 ESP Fit Center 144 is at -3.211115 1.806009 1.821467 ESP Fit Center 145 is at -2.413912 1.008806 1.821467 ESP Fit Center 146 is at -1.562530 2.582147 1.616591 ESP Fit Center 147 is at -1.900395 2.837290 1.616591 ESP Fit Center 148 is at -2.307613 2.953154 1.616591 ESP Fit Center 149 is at -2.729188 2.914089 1.616591 ESP Fit Center 150 is at -3.108182 2.725372 1.616591 ESP Fit Center 151 is at -3.393412 2.412490 1.616591 ESP Fit Center 152 is at -3.546355 2.017700 1.616591 ESP Fit Center 153 is at -1.460065 2.906807 1.342414 ESP Fit Center 154 is at -1.808833 3.130947 1.342414 ESP Fit Center 155 is at -2.206621 3.247748 1.342414 ESP Fit Center 156 is at -2.621202 3.247748 1.342414 ESP Fit Center 157 is at -3.018990 3.130947 1.342414 ESP Fit Center 158 is at -3.367758 2.906807 1.342414 ESP Fit Center 159 is at -3.639251 2.593487 1.342414 ESP Fit Center 160 is at -3.811474 2.216371 1.342414 ESP Fit Center 161 is at -1.504394 3.239180 1.010918 ESP Fit Center 162 is at -1.889383 3.420342 1.010918 ESP Fit Center 163 is at -2.307330 3.500070 1.010918 ESP Fit Center 164 is at -2.731975 3.473353 1.010918 ESP Fit Center 165 is at -3.136634 3.341872 1.010918 ESP Fit Center 166 is at -3.495881 3.113886 1.010918 ESP Fit Center 167 is at -3.787145 2.803722 1.010918 ESP Fit Center 168 is at -3.992123 2.430868 1.010918 ESP Fit Center 169 is at -4.097937 2.018751 1.010918 ESP Fit Center 170 is at -1.999117 3.623344 0.636591 ESP Fit Center 171 is at -2.413912 3.670080 0.636591 ESP Fit Center 172 is at -2.828706 3.623344 0.636591 ESP Fit Center 173 is at -3.222702 3.485479 0.636591 ESP Fit Center 174 is at -3.576141 3.263399 0.636591 ESP Fit Center 175 is at -3.871301 2.968239 0.636591 ESP Fit Center 176 is at -4.093381 2.614799 0.636591 ESP Fit Center 177 is at -4.231246 2.220804 0.636591 ESP Fit Center 178 is at -1.892429 3.684222 0.235794 ESP Fit Center 179 is at -2.308381 3.752414 0.235794 ESP Fit Center 180 is at -2.729267 3.729594 0.235794 ESP Fit Center 181 is at -3.135408 3.616829 0.235794 ESP Fit Center 182 is at -3.507813 3.419393 0.235794 ESP Fit Center 183 is at -3.829068 3.146517 0.235794 ESP Fit Center 184 is at -4.084152 2.810959 0.235794 ESP Fit Center 185 is at -4.261137 2.428412 0.235794 ESP Fit Center 186 is at -4.351748 2.016762 0.235794 ESP Fit Center 187 is at -1.892429 3.684222 -0.173958 ESP Fit Center 188 is at -2.308381 3.752414 -0.173958 ESP Fit Center 189 is at -2.729267 3.729594 -0.173958 ESP Fit Center 190 is at -3.135408 3.616829 -0.173958 ESP Fit Center 191 is at -3.507813 3.419393 -0.173958 ESP Fit Center 192 is at -3.829068 3.146517 -0.173958 ESP Fit Center 193 is at -4.084152 2.810959 -0.173958 ESP Fit Center 194 is at -4.261137 2.428412 -0.173958 ESP Fit Center 195 is at -4.351748 2.016762 -0.173958 ESP Fit Center 196 is at -4.351748 1.595257 -0.173958 ESP Fit Center 197 is at -1.999117 3.623344 -0.574755 ESP Fit Center 198 is at -2.413912 3.670080 -0.574755 ESP Fit Center 199 is at -2.828706 3.623344 -0.574755 ESP Fit Center 200 is at -3.222702 3.485479 -0.574755 ESP Fit Center 201 is at -3.576141 3.263399 -0.574755 ESP Fit Center 202 is at -3.871301 2.968239 -0.574755 ESP Fit Center 203 is at -4.093381 2.614799 -0.574755 ESP Fit Center 204 is at -4.231246 2.220804 -0.574755 ESP Fit Center 205 is at -4.277982 1.806009 -0.574755 ESP Fit Center 206 is at -1.889383 3.420342 -0.949082 ESP Fit Center 207 is at -2.307330 3.500070 -0.949082 ESP Fit Center 208 is at -2.731975 3.473353 -0.949082 ESP Fit Center 209 is at -3.136634 3.341872 -0.949082 ESP Fit Center 210 is at -3.495881 3.113886 -0.949082 ESP Fit Center 211 is at -3.787145 2.803722 -0.949082 ESP Fit Center 212 is at -3.992123 2.430868 -0.949082 ESP Fit Center 213 is at -4.097937 2.018751 -0.949082 ESP Fit Center 214 is at -4.097937 1.593268 -0.949082 ESP Fit Center 215 is at -1.808833 3.130947 -1.280578 ESP Fit Center 216 is at -2.206621 3.247748 -1.280578 ESP Fit Center 217 is at -2.621202 3.247748 -1.280578 ESP Fit Center 218 is at -3.018990 3.130947 -1.280578 ESP Fit Center 219 is at -3.367758 2.906807 -1.280578 ESP Fit Center 220 is at -3.639251 2.593487 -1.280578 ESP Fit Center 221 is at -3.811474 2.216371 -1.280578 ESP Fit Center 222 is at -3.870475 1.806009 -1.280578 ESP Fit Center 223 is at -3.811474 1.395648 -1.280578 ESP Fit Center 224 is at -1.900395 2.837290 -1.554755 ESP Fit Center 225 is at -2.307613 2.953154 -1.554755 ESP Fit Center 226 is at -2.729188 2.914089 -1.554755 ESP Fit Center 227 is at -3.108182 2.725372 -1.554755 ESP Fit Center 228 is at -3.393412 2.412490 -1.554755 ESP Fit Center 229 is at -3.546355 2.017700 -1.554755 ESP Fit Center 230 is at -3.546355 1.594319 -1.554755 ESP Fit Center 231 is at -3.393412 1.199529 -1.554755 ESP Fit Center 232 is at -3.108182 0.886646 -1.554755 ESP Fit Center 233 is at -2.729188 0.697929 -1.554755 ESP Fit Center 234 is at -2.015310 2.496408 -1.759631 ESP Fit Center 235 is at -2.413912 2.603213 -1.759631 ESP Fit Center 236 is at -2.812514 2.496408 -1.759631 ESP Fit Center 237 is at -3.104310 2.204611 -1.759631 ESP Fit Center 238 is at -3.211115 1.806009 -1.759631 ESP Fit Center 239 is at -3.104310 1.407408 -1.759631 ESP Fit Center 240 is at -2.812514 1.115611 -1.759631 ESP Fit Center 241 is at -2.210158 2.158921 -1.886251 ESP Fit Center 242 is at -2.617665 2.158921 -1.886251 ESP Fit Center 243 is at -2.821419 1.806009 -1.886251 ESP Fit Center 244 is at -2.617665 1.453098 -1.886251 ESP Fit Center 245 is at -2.413912 1.806009 -1.929082 ESP Fit Center 246 is at -1.324232 1.226409 2.077319 ESP Fit Center 247 is at -0.914543 1.226409 2.036968 ESP Fit Center 248 is at -1.119388 1.581211 2.036968 ESP Fit Center 249 is at -1.529077 1.581211 2.036968 ESP Fit Center 250 is at -1.733922 1.226409 2.036968 ESP Fit Center 251 is at -1.529077 0.871608 2.036968 ESP Fit Center 252 is at -1.119388 0.871608 2.036968 ESP Fit Center 253 is at -0.520597 1.226409 1.917466 ESP Fit Center 254 is at -0.922415 1.922378 1.917466 ESP Fit Center 255 is at -1.324232 2.030045 1.917466 ESP Fit Center 256 is at -1.726050 1.922378 1.917466 ESP Fit Center 257 is at -2.127868 1.226409 1.917466 ESP Fit Center 258 is at -2.020201 0.824592 1.917466 ESP Fit Center 259 is at -1.726050 0.530441 1.917466 ESP Fit Center 260 is at -0.628264 0.824592 1.917466 ESP Fit Center 261 is at -1.216583 2.388130 1.723405 ESP Fit Center 262 is at -2.316179 0.612222 1.723405 ESP Fit Center 263 is at -0.236319 0.804950 1.723405 ESP Fit Center 264 is at -1.535559 2.696219 -1.507605 ESP Fit Center 265 is at -2.573430 0.423599 -1.507605 ESP Fit Center 266 is at -1.643514 2.348569 -1.768767 ESP Fit Center 267 is at -2.471065 1.012029 -1.768767 ESP Fit Center 268 is at -2.316179 0.612222 -1.768767 ESP Fit Center 269 is at -1.324232 2.030045 -1.962828 ESP Fit Center 270 is at -1.726050 1.922378 -1.962828 ESP Fit Center 271 is at -2.020201 1.628227 -1.962828 ESP Fit Center 272 is at -2.127868 1.226409 -1.962828 ESP Fit Center 273 is at -2.020201 0.824592 -1.962828 ESP Fit Center 274 is at -1.726050 0.530441 -1.962828 ESP Fit Center 275 is at -0.628264 0.824592 -1.962828 ESP Fit Center 276 is at -0.914543 1.226409 -2.082330 ESP Fit Center 277 is at -1.119388 1.581211 -2.082330 ESP Fit Center 278 is at -1.529077 1.581211 -2.082330 ESP Fit Center 279 is at -1.733922 1.226409 -2.082330 ESP Fit Center 280 is at -1.529077 0.871608 -2.082330 ESP Fit Center 281 is at -1.119388 0.871608 -2.082330 ESP Fit Center 282 is at -1.324232 1.226409 -2.122681 ESP Fit Center 283 is at -0.148058 1.943360 2.024287 ESP Fit Center 284 is at 0.261632 1.943360 1.983936 ESP Fit Center 285 is at 0.056787 2.298162 1.983936 ESP Fit Center 286 is at -0.352903 2.298162 1.983936 ESP Fit Center 287 is at -0.557747 1.943360 1.983936 ESP Fit Center 288 is at -0.352903 1.588558 1.983936 ESP Fit Center 289 is at 0.056787 1.588558 1.983936 ESP Fit Center 290 is at 0.655577 1.943360 1.864434 ESP Fit Center 291 is at 0.547911 2.345178 1.864434 ESP Fit Center 292 is at 0.253760 2.639328 1.864434 ESP Fit Center 293 is at -0.148058 2.746995 1.864434 ESP Fit Center 294 is at -0.549875 2.639328 1.864434 ESP Fit Center 295 is at -0.844026 2.345178 1.864434 ESP Fit Center 296 is at -0.148058 1.139725 1.864434 ESP Fit Center 297 is at 0.253760 1.247391 1.864434 ESP Fit Center 298 is at 0.714142 2.729359 1.670373 ESP Fit Center 299 is at 0.371984 2.987745 1.670373 ESP Fit Center 300 is at -0.040409 3.105081 1.670373 ESP Fit Center 301 is at -0.467340 3.065520 1.670373 ESP Fit Center 302 is at -0.851150 2.874405 1.670373 ESP Fit Center 303 is at -1.140004 2.557547 1.670373 ESP Fit Center 304 is at -0.040409 0.781639 1.670373 ESP Fit Center 305 is at 0.824361 3.065591 1.409211 ESP Fit Center 306 is at -1.120476 3.065591 1.409211 ESP Fit Center 307 is at -1.455022 3.101229 -1.242410 ESP Fit Center 308 is at 0.824361 3.065591 -1.560637 ESP Fit Center 309 is at -1.120476 3.065591 -1.560637 ESP Fit Center 310 is at -1.397256 2.746171 -1.560637 ESP Fit Center 311 is at 0.714142 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330 is at -0.352903 1.588558 -2.135362 ESP Fit Center 331 is at 0.056787 1.588558 -2.135362 ESP Fit Center 332 is at -0.148058 1.943360 -2.175713 ESP Fit Center 333 is at 1.134640 1.423138 1.966447 ESP Fit Center 334 is at 1.544330 1.423138 1.926096 ESP Fit Center 335 is at 1.339485 1.777940 1.926096 ESP Fit Center 336 is at 0.929795 1.777940 1.926096 ESP Fit Center 337 is at 0.724951 1.423138 1.926096 ESP Fit Center 338 is at 0.929795 1.068337 1.926096 ESP Fit Center 339 is at 1.339485 1.068337 1.926096 ESP Fit Center 340 is at 1.938275 1.423138 1.806594 ESP Fit Center 341 is at 1.830609 1.824956 1.806594 ESP Fit Center 342 is at 1.536458 2.119107 1.806594 ESP Fit Center 343 is at 1.134640 2.226774 1.806594 ESP Fit Center 344 is at 0.438672 1.021321 1.806594 ESP Fit Center 345 is at 0.732823 0.727170 1.806594 ESP Fit Center 346 is at 1.242289 2.584859 1.612533 ESP Fit Center 347 is at 0.923313 2.892948 -1.618477 ESP Fit Center 348 is at 0.815358 2.545298 -1.879639 ESP Fit Center 349 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368 is at 2.317562 2.496757 1.734629 ESP Fit Center 369 is at 1.910055 2.496757 1.734629 ESP Fit Center 370 is at 2.317562 1.790934 1.734629 ESP Fit Center 371 is at 2.911012 2.143846 1.608009 ESP Fit Center 372 is at 2.804207 2.542448 1.608009 ESP Fit Center 373 is at 2.512410 2.834245 1.608009 ESP Fit Center 374 is at 2.113808 2.941050 1.608009 ESP Fit Center 375 is at 1.715206 2.834245 1.608009 ESP Fit Center 376 is at 2.804207 1.745244 1.608009 ESP Fit Center 377 is at 3.265867 2.143846 1.403133 ESP Fit Center 378 is at 3.188071 2.560017 1.403133 ESP Fit Center 379 is at 2.965190 2.919983 1.403133 ESP Fit Center 380 is at 2.627325 3.175127 1.403133 ESP Fit Center 381 is at 2.220107 3.290990 1.403133 ESP Fit Center 382 is at 1.798532 3.251926 1.403133 ESP Fit Center 383 is at 1.419538 3.063209 1.403133 ESP Fit Center 384 is at 3.188071 1.727674 1.403133 ESP Fit Center 385 is at 3.570372 2.143846 1.128955 ESP Fit Center 386 is at 3.511371 2.554207 1.128955 ESP Fit Center 387 is at 3.339148 2.931324 1.128955 ESP Fit Center 388 is at 3.067655 3.244643 1.128955 ESP Fit Center 389 is at 2.718887 3.468783 1.128955 ESP Fit Center 390 is at 2.321099 3.585584 1.128955 ESP Fit Center 391 is at 1.906518 3.585584 1.128955 ESP Fit Center 392 is at 1.508730 3.468783 1.128955 ESP Fit Center 393 is at 1.159962 3.244643 1.128955 ESP Fit Center 394 is at 3.511371 1.733484 1.128955 ESP Fit Center 395 is at 3.811218 2.143846 0.797459 ESP Fit Center 396 is at 3.757891 2.565974 0.797459 ESP Fit Center 397 is at 3.601260 2.961579 0.797459 ESP Fit Center 398 is at 3.351167 3.305803 0.797459 ESP Fit Center 399 is at 3.023326 3.577016 0.797459 ESP Fit Center 400 is at 2.638337 3.758178 0.797459 ESP Fit Center 401 is at 2.220390 3.837906 0.797459 ESP Fit Center 402 is at 1.795745 3.811190 0.797459 ESP Fit Center 403 is at 1.391086 3.679708 0.797459 ESP Fit Center 404 is at 3.601260 1.326112 0.797459 ESP Fit Center 405 is at 3.757891 1.721717 0.797459 ESP Fit Center 406 is at 3.977879 2.143846 0.423133 ESP Fit Center 407 is at 3.931143 2.558641 0.423133 ESP Fit Center 408 is at 3.793278 2.952636 0.423133 ESP Fit Center 409 is at 3.571198 3.306075 0.423133 ESP Fit Center 410 is at 3.276037 3.601235 0.423133 ESP Fit Center 411 is at 2.922598 3.823315 0.423133 ESP Fit Center 412 is at 2.528603 3.961180 0.423133 ESP Fit Center 413 is at 2.113808 4.007917 0.423133 ESP Fit Center 414 is at 1.699014 3.961180 0.423133 ESP Fit Center 415 is at 1.305018 3.823315 0.423133 ESP Fit Center 416 is at 3.793278 1.335056 0.423133 ESP Fit Center 417 is at 3.931143 1.729051 0.423133 ESP Fit Center 418 is at 4.063071 2.143846 0.022335 ESP Fit Center 419 is at 4.017499 2.562880 0.022335 ESP Fit Center 420 is at 3.882911 2.962320 0.022335 ESP Fit Center 421 is at 3.665603 3.323489 0.022335 ESP Fit Center 422 is at 3.375734 3.629500 0.022335 ESP Fit Center 423 is at 3.026860 3.866043 0.022335 ESP Fit Center 424 is at 2.635291 4.022058 0.022335 ESP Fit Center 425 is at 2.219339 4.090250 0.022335 ESP Fit Center 426 is at 1.798453 4.067430 0.022335 ESP Fit Center 427 is at 1.392312 3.954666 0.022335 ESP Fit Center 428 is at 3.882911 1.325371 0.022335 ESP Fit Center 429 is at 4.017499 1.724812 0.022335 ESP Fit Center 430 is at 4.063071 2.143846 -0.387416 ESP Fit Center 431 is at 4.017499 2.562880 -0.387416 ESP Fit Center 432 is at 3.882911 2.962320 -0.387416 ESP Fit Center 433 is at 3.665603 3.323489 -0.387416 ESP Fit Center 434 is at 3.375734 3.629500 -0.387416 ESP Fit Center 435 is at 3.026860 3.866043 -0.387416 ESP Fit Center 436 is at 2.635291 4.022058 -0.387416 ESP Fit Center 437 is at 2.219339 4.090250 -0.387416 ESP Fit Center 438 is at 1.798453 4.067430 -0.387416 ESP Fit Center 439 is at 1.392312 3.954666 -0.387416 ESP Fit Center 440 is at 4.017499 1.724812 -0.387416 ESP Fit Center 441 is at 3.977879 2.143846 -0.788214 ESP Fit Center 442 is at 3.931143 2.558641 -0.788214 ESP Fit Center 443 is at 3.793278 2.952636 -0.788214 ESP Fit Center 444 is at 3.571198 3.306075 -0.788214 ESP Fit Center 445 is at 3.276037 3.601235 -0.788214 ESP Fit Center 446 is at 2.922598 3.823315 -0.788214 ESP Fit Center 447 is at 2.528603 3.961180 -0.788214 ESP Fit Center 448 is at 2.113808 4.007917 -0.788214 ESP Fit Center 449 is at 1.699014 3.961180 -0.788214 ESP Fit Center 450 is at 1.305018 3.823315 -0.788214 ESP Fit Center 451 is at 3.931143 1.729051 -0.788214 ESP Fit Center 452 is at 3.811218 2.143846 -1.162541 ESP Fit Center 453 is at 3.757891 2.565974 -1.162541 ESP Fit Center 454 is at 3.601260 2.961579 -1.162541 ESP Fit Center 455 is at 3.351167 3.305803 -1.162541 ESP Fit Center 456 is at 3.023326 3.577016 -1.162541 ESP Fit Center 457 is at 2.638337 3.758178 -1.162541 ESP Fit Center 458 is at 2.220390 3.837906 -1.162541 ESP Fit Center 459 is at 1.795745 3.811190 -1.162541 ESP Fit Center 460 is at 1.391086 3.679708 -1.162541 ESP Fit Center 461 is at 1.031839 3.451722 -1.162541 ESP Fit Center 462 is at 3.757891 1.721717 -1.162541 ESP Fit Center 463 is at 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501 is at 1.210732 -0.745913 1.799723 ESP Fit Center 502 is at 0.218786 0.671909 1.605662 ESP Fit Center 503 is at 0.218786 0.671909 -1.886510 ESP Fit Center 504 is at 1.906701 0.459539 -2.080571 ESP Fit Center 505 is at 1.612550 0.753690 -2.080571 ESP Fit Center 506 is at 0.514764 0.459539 -2.080571 ESP Fit Center 507 is at 0.407097 0.057722 -2.080571 ESP Fit Center 508 is at 0.808915 -0.638247 -2.080571 ESP Fit Center 509 is at 1.210732 -0.745913 -2.080571 ESP Fit Center 510 is at 1.620422 0.057722 -2.200073 ESP Fit Center 511 is at 1.415577 0.412523 -2.200073 ESP Fit Center 512 is at 1.005888 0.412523 -2.200073 ESP Fit Center 513 is at 0.801043 0.057722 -2.200073 ESP Fit Center 514 is at 1.005888 -0.297080 -2.200073 ESP Fit Center 515 is at 1.415577 -0.297080 -2.200073 ESP Fit Center 516 is at 1.210732 0.057722 -2.240424 ESP Fit Center 517 is at 0.094113 -0.739071 2.015991 ESP Fit Center 518 is at 0.503803 -0.739071 1.975640 ESP Fit Center 519 is at 0.298958 -0.384269 1.975640 ESP Fit Center 520 is at -0.110732 -0.384269 1.975640 ESP Fit Center 521 is at -0.315577 -0.739071 1.975640 ESP Fit Center 522 is at -0.110732 -1.093872 1.975640 ESP Fit Center 523 is at 0.298958 -1.093872 1.975640 ESP Fit Center 524 is at 0.897748 -0.739071 1.856138 ESP Fit Center 525 is at 0.495931 -0.043102 1.856138 ESP Fit Center 526 is at 0.094113 0.064564 1.856138 ESP Fit Center 527 is at -0.601855 -1.140888 1.856138 ESP Fit Center 528 is at -0.307705 -1.435039 1.856138 ESP Fit Center 529 is at 0.094113 -1.542706 1.856138 ESP Fit Center 530 is at 0.495931 -1.435039 1.856138 ESP Fit Center 531 is at 0.790082 -1.140888 1.856138 ESP Fit Center 532 is at -0.608979 -1.670115 1.662078 ESP Fit Center 533 is at -0.225169 -1.861230 1.662078 ESP Fit Center 534 is at 0.201762 -1.900791 1.662078 ESP Fit Center 535 is at 0.614155 -1.783455 1.662078 ESP Fit Center 536 is at 0.956313 -1.525070 1.662078 ESP Fit Center 537 is at 1.182026 -1.160530 1.662078 ESP Fit Center 538 is at -0.878306 -1.861302 1.400916 ESP Fit Center 539 is at 1.066532 -1.861302 1.400916 ESP Fit Center 540 is at -0.878306 -1.861302 -1.568933 ESP Fit Center 541 is at -0.225169 0.383089 -1.830095 ESP Fit Center 542 is at -0.897833 -1.353258 -1.830095 ESP Fit Center 543 is at -0.608979 -1.670115 -1.830095 ESP Fit Center 544 is at -0.225169 -1.861230 -1.830095 ESP Fit Center 545 is at 0.201762 -1.900791 -1.830095 ESP Fit Center 546 is at 0.614155 -1.783455 -1.830095 ESP Fit Center 547 is at 0.094113 0.064564 -2.024156 ESP Fit Center 548 is at -0.307705 -0.043102 -2.024156 ESP Fit Center 549 is at -0.709522 -0.739071 -2.024156 ESP Fit Center 550 is at -0.601855 -1.140888 -2.024156 ESP Fit Center 551 is at -0.307705 -1.435039 -2.024156 ESP Fit Center 552 is at 0.094113 -1.542706 -2.024156 ESP Fit Center 553 is at 0.495931 -1.435039 -2.024156 ESP Fit Center 554 is at 0.790082 -1.140888 -2.024156 ESP Fit Center 555 is at 0.503803 -0.739071 -2.143658 ESP Fit Center 556 is at 0.298958 -0.384269 -2.143658 ESP Fit Center 557 is at -0.110732 -0.384269 -2.143658 ESP Fit Center 558 is at -0.315577 -0.739071 -2.143658 ESP Fit Center 559 is at -0.110732 -1.093872 -2.143658 ESP Fit Center 560 is at 0.298958 -1.093872 -2.143658 ESP Fit Center 561 is at 0.094113 -0.739071 -2.184009 ESP Fit Center 562 is at -1.131042 -0.206404 2.075215 ESP Fit Center 563 is at -0.721352 -0.206404 2.034864 ESP Fit Center 564 is at -0.926197 0.148398 2.034864 ESP Fit Center 565 is at -1.335887 0.148398 2.034864 ESP Fit Center 566 is at -1.540732 -0.206404 2.034864 ESP Fit Center 567 is at -1.335887 -0.561206 2.034864 ESP Fit Center 568 is at -0.926197 -0.561206 2.034864 ESP Fit Center 569 is at -0.327407 -0.206404 1.915362 ESP Fit Center 570 is at -0.435073 0.195414 1.915362 ESP Fit Center 571 is at -0.729224 0.489565 1.915362 ESP Fit Center 572 is at -1.827010 0.195414 1.915362 ESP Fit Center 573 is at -1.934677 -0.206404 1.915362 ESP Fit Center 574 is at -1.131042 -1.010039 1.915362 ESP Fit Center 575 is at -0.729224 -0.902372 1.915362 ESP Fit Center 576 is at -0.268842 0.579595 1.721301 ESP Fit Center 577 is at -1.023393 -1.368124 1.721301 ESP Fit Center 578 is at -0.268842 0.579595 -1.770872 ESP Fit Center 579 is at -1.023393 -1.368124 -1.770872 ESP Fit Center 580 is at -0.435073 0.195414 -1.964932 ESP Fit Center 581 is at -0.729224 0.489565 -1.964932 ESP Fit Center 582 is at -1.827010 0.195414 -1.964932 ESP Fit Center 583 is at -1.934677 -0.206404 -1.964932 ESP Fit Center 584 is at -1.827010 -0.608221 -1.964932 ESP Fit Center 585 is at -1.532860 -0.902372 -1.964932 ESP Fit Center 586 is at -1.131042 -1.010039 -1.964932 ESP Fit Center 587 is at -0.721352 -0.206404 -2.084435 ESP Fit Center 588 is at -0.926197 0.148398 -2.084435 ESP Fit Center 589 is at -1.335887 0.148398 -2.084435 ESP Fit Center 590 is at -1.540732 -0.206404 -2.084435 ESP Fit Center 591 is at -1.335887 -0.561206 -2.084435 ESP Fit Center 592 is at -0.926197 -0.561206 -2.084435 ESP Fit Center 593 is at -1.131042 -0.206404 -2.124785 ESP Fit Center 594 is at 4.383409 0.876908 -0.028644 ESP Fit Center 595 is at 4.088425 1.194825 -0.028644 ESP Fit Center 596 is at 4.804051 0.057321 -0.433828 ESP Fit Center 597 is at 4.748757 0.477321 -0.433828 ESP Fit Center 598 is at 4.586643 0.868698 -0.433828 ESP Fit Center 599 is at 4.328757 1.204782 -0.433828 ESP Fit Center 600 is at 3.992673 1.462668 -0.433828 ESP Fit Center 601 is at 4.861295 0.057321 -0.868644 ESP Fit Center 602 is at 4.808515 0.475120 -0.868644 ESP Fit Center 603 is at 4.653491 0.866667 -0.868644 ESP Fit Center 604 is at 4.405963 1.207360 -0.868644 ESP Fit Center 605 is at 4.081484 1.475792 -0.868644 ESP Fit Center 606 is at 4.653491 -0.752026 -0.868644 ESP Fit Center 607 is at 4.808515 -0.360478 -0.868644 ESP Fit Center 608 is at 4.804051 0.057321 -1.303460 ESP Fit Center 609 is at 4.748757 0.477321 -1.303460 ESP Fit Center 610 is at 4.586643 0.868698 -1.303460 ESP Fit Center 611 is at 4.328757 1.204782 -1.303460 ESP Fit Center 612 is at 3.992673 1.462668 -1.303460 ESP Fit Center 613 is at 4.586643 -0.754057 -1.303460 ESP Fit Center 614 is at 4.748757 -0.362679 -1.303460 ESP Fit Center 615 is at 4.636218 0.057321 -1.708644 ESP Fit Center 616 is at 4.571580 0.486167 -1.708644 ESP Fit Center 617 is at 4.383409 0.876908 -1.708644 ESP Fit Center 618 is at 4.088425 1.194825 -1.708644 ESP Fit Center 619 is at 3.712838 1.411670 -1.708644 ESP Fit Center 620 is at 3.290022 1.508175 -1.708644 ESP Fit Center 621 is at 4.383409 -0.762266 -1.708644 ESP Fit Center 622 is at 4.571580 -0.371525 -1.708644 ESP Fit Center 623 is at 4.369235 0.057321 -2.056583 ESP Fit Center 624 is at 4.289016 0.486454 -2.056583 ESP Fit Center 625 is at 4.059193 0.857630 -2.056583 ESP Fit Center 626 is at 3.710805 1.120720 -2.056583 ESP Fit Center 627 is at 3.290905 1.240192 -2.056583 ESP Fit Center 628 is at 2.856200 1.199911 -2.056583 ESP Fit Center 629 is at 2.465402 1.005317 -2.056583 ESP Fit Center 630 is at 2.171289 0.682690 -2.056583 ESP Fit Center 631 is at 3.710805 -1.006079 -2.056583 ESP Fit Center 632 is at 4.059193 -0.742989 -2.056583 ESP Fit Center 633 is at 4.289016 -0.371813 -2.056583 ESP Fit Center 634 is at 4.021295 0.057321 -2.323566 ESP Fit Center 635 is at 3.908757 0.477321 -2.323566 ESP Fit Center 636 is at 3.601295 0.784782 -2.323566 ESP Fit Center 637 is at 3.181295 0.897321 -2.323566 ESP Fit Center 638 is at 2.761295 0.784782 -2.323566 ESP Fit Center 639 is at 2.453834 0.477321 -2.323566 ESP Fit Center 640 is at 2.341295 0.057321 -2.323566 ESP Fit Center 641 is at 2.453834 -0.362679 -2.323566 ESP Fit Center 642 is at 3.181295 -0.782679 -2.323566 ESP Fit Center 643 is at 3.601295 -0.670141 -2.323566 ESP Fit Center 644 is at 3.908757 -0.362679 -2.323566 ESP Fit Center 645 is at 3.616111 0.057321 -2.491399 ESP Fit Center 646 is at 3.398703 0.433882 -2.491399 ESP Fit Center 647 is at 2.963887 0.433882 -2.491399 ESP Fit Center 648 is at 2.746479 0.057321 -2.491399 ESP Fit Center 649 is at 2.963887 -0.319241 -2.491399 ESP Fit Center 650 is at 3.398703 -0.319241 -2.491399 ESP Fit Center 651 is at 3.181295 0.057321 -2.548644 ESP Fit Center 652 is at 4.751968 -0.599430 2.735860 ESP Fit Center 653 is at 4.534560 -0.222869 2.735860 ESP Fit Center 654 is at 5.157152 -0.599430 2.568027 ESP Fit Center 655 is at 5.044613 -0.179430 2.568027 ESP Fit Center 656 is at 4.737152 0.128031 2.568027 ESP Fit Center 657 is at 4.737152 -1.326892 2.568027 ESP Fit Center 658 is at 5.044613 -1.019430 2.568027 ESP Fit Center 659 is at 5.505091 -0.599430 2.301044 ESP Fit Center 660 is at 5.424872 -0.170297 2.301044 ESP Fit Center 661 is at 5.195049 0.200879 2.301044 ESP Fit Center 662 is at 4.846662 0.463969 2.301044 ESP Fit Center 663 is at 4.426761 0.583441 2.301044 ESP Fit Center 664 is at 4.846662 -1.662830 2.301044 ESP Fit Center 665 is at 5.195049 -1.399740 2.301044 ESP Fit Center 666 is at 5.424872 -1.028564 2.301044 ESP Fit Center 667 is at 5.772074 -0.599430 1.953104 ESP Fit Center 668 is at 5.707436 -0.170584 1.953104 ESP Fit Center 669 is at 5.519265 0.220157 1.953104 ESP Fit Center 670 is at 5.224281 0.538074 1.953104 ESP Fit Center 671 is at 4.848695 0.754919 1.953104 ESP Fit Center 672 is at 4.425878 0.851424 1.953104 ESP Fit Center 673 is at 4.848695 -1.953780 1.953104 ESP Fit Center 674 is at 5.224281 -1.736935 1.953104 ESP Fit Center 675 is at 5.519265 -1.419017 1.953104 ESP Fit Center 676 is at 5.707436 -1.028276 1.953104 ESP Fit Center 677 is at 5.939907 -0.599430 1.547920 ESP Fit Center 678 is at 5.884613 -0.179430 1.547920 ESP Fit Center 679 is at 5.722499 0.211947 1.547920 ESP Fit Center 680 is at 5.464613 0.548031 1.547920 ESP Fit Center 681 is at 5.128529 0.805917 1.547920 ESP Fit Center 682 is at 4.737152 0.968031 1.547920 ESP Fit Center 683 is at 4.737152 -2.166892 1.547920 ESP Fit Center 684 is at 5.128529 -2.004778 1.547920 ESP Fit Center 685 is at 5.464613 -1.746892 1.547920 ESP Fit Center 686 is at 5.722499 -1.410808 1.547920 ESP Fit Center 687 is at 5.884613 -1.019430 1.547920 ESP Fit Center 688 is at 5.997152 -0.599430 1.113104 ESP Fit Center 689 is at 5.944371 -0.181631 1.113104 ESP Fit Center 690 is at 5.789347 0.209916 1.113104 ESP Fit Center 691 is at 5.541819 0.550609 1.113104 ESP Fit Center 692 is at 5.217341 0.819041 1.113104 ESP Fit Center 693 is at 4.836300 0.998345 1.113104 ESP Fit Center 694 is at 4.422640 1.077255 1.113104 ESP Fit Center 695 is at 4.836300 -2.197205 1.113104 ESP Fit Center 696 is at 5.217341 -2.017901 1.113104 ESP Fit Center 697 is at 5.541819 -1.749470 1.113104 ESP Fit Center 698 is at 5.789347 -1.408777 1.113104 ESP Fit Center 699 is at 5.944371 -1.017229 1.113104 ESP Fit Center 700 is at 5.939907 -0.599430 0.678288 ESP Fit Center 701 is at 5.884613 -0.179430 0.678288 ESP Fit Center 702 is at 5.722499 0.211947 0.678288 ESP Fit Center 703 is at 5.464613 0.548031 0.678288 ESP Fit Center 704 is at 5.128529 0.805917 0.678288 ESP Fit Center 705 is at 4.737152 0.968031 0.678288 ESP Fit Center 706 is at 4.317152 1.023325 0.678288 ESP Fit Center 707 is at 4.737152 -2.166892 0.678288 ESP Fit Center 708 is at 5.128529 -2.004778 0.678288 ESP Fit Center 709 is at 5.464613 -1.746892 0.678288 ESP Fit Center 710 is at 5.722499 -1.410808 0.678288 ESP Fit Center 711 is at 5.884613 -1.019430 0.678288 ESP Fit Center 712 is at 5.772074 -0.599430 0.273104 ESP Fit Center 713 is at 5.707436 -0.170584 0.273104 ESP Fit Center 714 is at 5.519265 0.220157 0.273104 ESP Fit Center 715 is at 5.224281 0.538074 0.273104 ESP Fit Center 716 is at 4.848695 0.754919 0.273104 ESP Fit Center 717 is at 4.425878 0.851424 0.273104 ESP Fit Center 718 is at 4.848695 -1.953780 0.273104 ESP Fit Center 719 is at 5.224281 -1.736935 0.273104 ESP Fit Center 720 is at 5.519265 -1.419017 0.273104 ESP Fit Center 721 is at 5.707436 -1.028276 0.273104 ESP Fit Center 722 is at 5.505091 -0.599430 -0.074835 ESP Fit Center 723 is at 5.424872 -0.170297 -0.074835 ESP Fit Center 724 is at 5.195049 0.200879 -0.074835 ESP Fit Center 725 is at 4.846662 0.463969 -0.074835 ESP Fit Center 726 is at 4.846662 -1.662830 -0.074835 ESP Fit Center 727 is at 5.195049 -1.399740 -0.074835 ESP Fit Center 728 is at 5.424872 -1.028564 -0.074835 ESP Fit Center 729 is at 5.157152 -0.599430 -0.341818 ESP Fit Center 730 is at 5.044613 -0.179430 -0.341818 ESP Fit Center 731 is at 4.737152 -1.326892 -0.341818 ESP Fit Center 732 is at 5.044613 -1.019430 -0.341818 ESP Fit Center 733 is at 4.751968 -0.599430 -0.509651 ESP Fit Center 734 is at 2.858632 -0.016100 3.579672 ESP Fit Center 735 is at 3.293448 -0.016100 3.522427 ESP Fit Center 736 is at 3.076040 0.360462 3.522427 ESP Fit Center 737 is at 2.641224 0.360462 3.522427 ESP Fit Center 738 is at 2.423816 -0.016100 3.522427 ESP Fit Center 739 is at 2.641224 -0.392661 3.522427 ESP Fit Center 740 is at 3.076040 -0.392661 3.522427 ESP Fit Center 741 is at 3.698632 -0.016100 3.354595 ESP Fit Center 742 is at 3.586094 0.403900 3.354595 ESP Fit Center 743 is at 3.278632 0.711362 3.354595 ESP Fit Center 744 is at 2.858632 0.823900 3.354595 ESP Fit Center 745 is at 2.438632 0.711362 3.354595 ESP Fit Center 746 is at 2.131171 0.403900 3.354595 ESP Fit Center 747 is at 2.018632 -0.016100 3.354595 ESP Fit Center 748 is at 2.131171 -0.436100 3.354595 ESP Fit Center 749 is at 2.438632 -0.743561 3.354595 ESP Fit Center 750 is at 2.858632 -0.856100 3.354595 ESP Fit Center 751 is at 3.278632 -0.743561 3.354595 ESP Fit Center 752 is at 3.586094 -0.436100 3.354595 ESP Fit Center 753 is at 4.046572 -0.016100 3.087611 ESP Fit Center 754 is at 3.966353 0.413033 3.087611 ESP Fit Center 755 is at 3.736530 0.784210 3.087611 ESP Fit Center 756 is at 3.388143 1.047300 3.087611 ESP Fit Center 757 is at 2.968242 1.166772 3.087611 ESP Fit Center 758 is at 2.533537 1.126491 3.087611 ESP Fit Center 759 is at 2.142739 0.931896 3.087611 ESP Fit Center 760 is at 1.848626 0.609270 3.087611 ESP Fit Center 761 is at 1.690920 0.202184 3.087611 ESP Fit Center 762 is at 1.690920 -0.234383 3.087611 ESP Fit Center 763 is at 1.848626 -0.641469 3.087611 ESP Fit Center 764 is at 2.142739 -0.964096 3.087611 ESP Fit Center 765 is at 4.248917 0.412746 2.739672 ESP Fit Center 766 is at 4.060746 0.803487 2.739672 ESP Fit Center 767 is at 3.765762 1.121405 2.739672 ESP Fit Center 768 is at 3.390175 1.338250 2.739672 ESP Fit Center 769 is at 2.967359 1.434755 2.739672 ESP Fit Center 770 is at 2.534882 1.402345 2.739672 ESP Fit Center 771 is at 2.131171 1.243900 2.739672 ESP Fit Center 772 is at 1.792099 0.973499 2.739672 ESP Fit Center 773 is at 1.547792 0.615168 2.739672 ESP Fit Center 774 is at 1.419960 0.200745 2.739672 ESP Fit Center 775 is at 1.419960 -0.232945 2.739672 ESP Fit Center 776 is at 1.547792 -0.647367 2.739672 ESP Fit Center 777 is at 1.792099 -1.005698 2.739672 ESP Fit Center 778 is at 4.263980 0.795278 2.334488 ESP Fit Center 779 is at 4.006094 1.131362 2.334488 ESP Fit Center 780 is at 3.670010 1.389248 2.334488 ESP Fit Center 781 is at 3.278632 1.551362 2.334488 ESP Fit Center 782 is at 2.858632 1.606656 2.334488 ESP Fit Center 783 is at 2.438632 1.551362 2.334488 ESP Fit Center 784 is at 2.047255 1.389248 2.334488 ESP Fit Center 785 is at 1.711171 1.131362 2.334488 ESP Fit Center 786 is at 1.453285 0.795278 2.334488 ESP Fit Center 787 is at 1.291171 0.403900 2.334488 ESP Fit Center 788 is at 1.235877 -0.016100 2.334488 ESP Fit Center 789 is at 1.291171 -0.436100 2.334488 ESP Fit Center 790 is at 1.453285 -0.827477 2.334488 ESP Fit Center 791 is at 4.083300 1.133939 1.899672 ESP Fit Center 792 is at 3.758821 1.402371 1.899672 ESP Fit Center 793 is at 3.377781 1.581675 1.899672 ESP Fit Center 794 is at 2.964121 1.660585 1.899672 ESP Fit Center 795 is at 2.543832 1.634143 1.899672 ESP Fit Center 796 is at 2.143323 1.504010 1.899672 ESP Fit Center 797 is at 1.787760 1.278363 1.899672 ESP Fit Center 798 is at 1.499484 0.971379 1.899672 ESP Fit Center 799 is at 1.296608 0.602350 1.899672 ESP Fit Center 800 is at 3.670010 1.389248 1.464856 ESP Fit Center 801 is at 3.278632 1.551362 1.464856 ESP Fit Center 802 is at -0.014116 3.346652 1.550595 ESP Fit Center 803 is at -0.448932 3.346652 1.550595 ESP Fit Center 804 is at 0.495937 3.390090 1.382762 ESP Fit Center 805 is at 0.188476 3.697551 1.382762 ESP Fit Center 806 is at -0.231524 3.810090 1.382762 ESP Fit Center 807 is at -0.651524 3.697551 1.382762 ESP Fit Center 808 is at -0.958986 3.390090 1.382762 ESP Fit Center 809 is at 0.876196 3.399223 1.115779 ESP Fit Center 810 is at 0.646373 3.770400 1.115779 ESP Fit Center 811 is at 0.297986 4.033490 1.115779 ESP Fit Center 812 is at -0.121915 4.152962 1.115779 ESP Fit Center 813 is at -0.556619 4.112681 1.115779 ESP Fit Center 814 is at -0.947418 3.918086 1.115779 ESP Fit Center 815 is at -1.241531 3.595460 1.115779 ESP Fit Center 816 is at -1.399237 3.188373 1.115779 ESP Fit Center 817 is at 0.970589 3.789677 0.767840 ESP Fit Center 818 is at 0.675605 4.107594 0.767840 ESP Fit Center 819 is at 0.300019 4.324439 0.767840 ESP Fit Center 820 is at -0.122798 4.420945 0.767840 ESP Fit Center 821 is at -0.555275 4.388535 0.767840 ESP Fit Center 822 is at -0.958986 4.230090 0.767840 ESP Fit Center 823 is at -1.298058 3.959689 0.767840 ESP Fit Center 824 is at -1.542364 3.601357 0.767840 ESP Fit Center 825 is at 1.173823 3.781468 0.362656 ESP Fit Center 826 is at 0.915937 4.117551 0.362656 ESP Fit Center 827 is at 0.579853 4.375437 0.362656 ESP Fit Center 828 is at 0.188476 4.537551 0.362656 ESP Fit Center 829 is at -0.231524 4.592845 0.362656 ESP Fit Center 830 is at -0.651524 4.537551 0.362656 ESP Fit Center 831 is at -1.042902 4.375437 0.362656 ESP Fit Center 832 is at -1.378986 4.117551 0.362656 ESP Fit Center 833 is at -1.636872 3.781468 0.362656 ESP Fit Center 834 is at 0.993143 4.120129 -0.072160 ESP Fit Center 835 is at 0.668665 4.388561 -0.072160 ESP Fit Center 836 is at 0.287624 4.567865 -0.072160 ESP Fit Center 837 is at -0.126036 4.646775 -0.072160 ESP Fit Center 838 is at -0.546325 4.620333 -0.072160 ESP Fit Center 839 is at -0.946834 4.490200 -0.072160 ESP Fit Center 840 is at -1.302397 4.264552 -0.072160 ESP Fit Center 841 is at -1.590673 3.957569 -0.072160 ESP Fit Center 842 is at 0.915937 4.117551 -0.506976 ESP Fit Center 843 is at 0.579853 4.375437 -0.506976 ESP Fit Center 844 is at 0.188476 4.537551 -0.506976 ESP Fit Center 845 is at -0.231524 4.592845 -0.506976 ESP Fit Center 846 is at -0.651524 4.537551 -0.506976 ESP Fit Center 847 is at -1.042902 4.375437 -0.506976 ESP Fit Center 848 is at -1.378986 4.117551 -0.506976 ESP Fit Center 849 is at -1.636872 3.781468 -0.506976 ESP Fit Center 850 is at 0.970589 3.789677 -0.912160 ESP Fit Center 851 is at 0.675605 4.107594 -0.912160 ESP Fit Center 852 is at 0.300019 4.324439 -0.912160 ESP Fit Center 853 is at -0.122798 4.420945 -0.912160 ESP Fit Center 854 is at -0.555275 4.388535 -0.912160 ESP Fit Center 855 is at -0.958986 4.230090 -0.912160 ESP Fit Center 856 is at -1.298058 3.959689 -0.912160 ESP Fit Center 857 is at -1.542364 3.601357 -0.912160 ESP Fit Center 858 is at 0.876196 3.399223 -1.260100 ESP Fit Center 859 is at 0.646373 3.770400 -1.260100 ESP Fit Center 860 is at 0.297986 4.033490 -1.260100 ESP Fit Center 861 is at -0.121915 4.152962 -1.260100 ESP Fit Center 862 is at -0.556619 4.112681 -1.260100 ESP Fit Center 863 is at -0.947418 3.918086 -1.260100 ESP Fit Center 864 is at -1.241531 3.595460 -1.260100 ESP Fit Center 865 is at -1.399237 3.188373 -1.260100 ESP Fit Center 866 is at 0.495937 3.390090 -1.527083 ESP Fit Center 867 is at 0.188476 3.697551 -1.527083 ESP Fit Center 868 is at -0.231524 3.810090 -1.527083 ESP Fit Center 869 is at -0.651524 3.697551 -1.527083 ESP Fit Center 870 is at -0.958986 3.390090 -1.527083 ESP Fit Center 871 is at -0.014116 3.346652 -1.694916 ESP Fit Center 872 is at -0.448932 3.346652 -1.694916 ESP Fit Center 873 is at -0.009207 -2.199444 1.535450 ESP Fit Center 874 is at 0.425609 -2.199444 1.535450 ESP Fit Center 875 is at -0.519260 -2.242882 1.367617 ESP Fit Center 876 is at -0.211799 -2.550343 1.367617 ESP Fit Center 877 is at 0.208201 -2.662882 1.367617 ESP Fit Center 878 is at 0.628201 -2.550343 1.367617 ESP Fit Center 879 is at 0.935662 -2.242882 1.367617 ESP Fit Center 880 is at -0.507693 -2.770878 1.100634 ESP Fit Center 881 is at -0.116894 -2.965473 1.100634 ESP Fit Center 882 is at 0.317810 -3.005754 1.100634 ESP Fit Center 883 is at 0.737711 -2.886282 1.100634 ESP Fit Center 884 is at 1.086099 -2.623192 1.100634 ESP Fit Center 885 is at 1.315921 -2.252015 1.100634 ESP Fit Center 886 is at -0.519260 -3.082882 0.752694 ESP Fit Center 887 is at -0.115550 -3.241327 0.752694 ESP Fit Center 888 is at 0.316927 -3.273737 0.752694 ESP Fit Center 889 is at 0.739744 -3.177231 0.752694 ESP Fit Center 890 is at 1.115330 -2.960386 0.752694 ESP Fit Center 891 is at 1.410314 -2.642469 0.752694 ESP Fit Center 892 is at -0.211799 -3.390343 0.347510 ESP Fit Center 893 is at 0.208201 -3.445637 0.347510 ESP Fit Center 894 is at 0.628201 -3.390343 0.347510 ESP Fit Center 895 is at 1.019579 -3.228229 0.347510 ESP Fit Center 896 is at -0.507108 -3.342992 -0.087306 ESP Fit Center 897 is at -0.106600 -3.473125 -0.087306 ESP Fit Center 898 is at 0.313689 -3.499567 -0.087306 ESP Fit Center 899 is at 0.727349 -3.420657 -0.087306 ESP Fit Center 900 is at 1.108390 -3.241353 -0.087306 ESP Fit Center 901 is at -0.211799 -3.390343 -0.522122 ESP Fit Center 902 is at 0.208201 -3.445637 -0.522122 ESP Fit Center 903 is at 0.628201 -3.390343 -0.522122 ESP Fit Center 904 is at 1.019579 -3.228229 -0.522122 ESP Fit Center 905 is at -0.519260 -3.082882 -0.927306 ESP Fit Center 906 is at -0.115550 -3.241327 -0.927306 ESP Fit Center 907 is at 0.316927 -3.273737 -0.927306 ESP Fit Center 908 is at 0.739744 -3.177231 -0.927306 ESP Fit Center 909 is at -0.801806 -2.448252 -1.275245 ESP Fit Center 910 is at -0.507693 -2.770878 -1.275245 ESP Fit Center 911 is at -0.116894 -2.965473 -1.275245 ESP Fit Center 912 is at 0.317810 -3.005754 -1.275245 ESP Fit Center 913 is at 0.737711 -2.886282 -1.275245 ESP Fit Center 914 is at 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Fit Center 1007 is at 2.212665 -3.135516 1.949796 ESP Fit Center 1008 is at 2.604043 -3.297630 1.949796 ESP Fit Center 1009 is at 3.024043 -3.352924 1.949796 ESP Fit Center 1010 is at 3.444043 -3.297630 1.949796 ESP Fit Center 1011 is at 3.835421 -3.135516 1.949796 ESP Fit Center 1012 is at 4.171504 -2.877630 1.949796 ESP Fit Center 1013 is at 4.429390 -2.541546 1.949796 ESP Fit Center 1014 is at 4.591504 -2.150169 1.949796 ESP Fit Center 1015 is at 1.357290 -1.940728 1.514980 ESP Fit Center 1016 is at 1.462019 -2.348618 1.514980 ESP Fit Center 1017 is at 1.664894 -2.717648 1.514980 ESP Fit Center 1018 is at 1.953171 -3.024631 1.514980 ESP Fit Center 1019 is at 2.308734 -3.250278 1.514980 ESP Fit Center 1020 is at 2.709242 -3.380411 1.514980 ESP Fit Center 1021 is at 3.129531 -3.406854 1.514980 ESP Fit Center 1022 is at 3.543192 -3.327944 1.514980 ESP Fit Center 1023 is at 3.924232 -3.148640 1.514980 ESP Fit Center 1024 is at 4.248710 -2.880208 1.514980 ESP Fit Center 1025 is at 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ESP Fit Center 1044 is at 4.598650 -2.259120 0.294461 ESP Fit Center 1045 is at 3.085615 -3.401711 0.294461 ESP Fit Center 1046 is at 3.520320 -3.441992 0.294461 ESP Fit Center 1047 is at 3.940221 -3.322520 0.294461 ESP Fit Center 1048 is at 4.288608 -3.059430 0.294461 ESP Fit Center 1049 is at 4.518431 -2.688253 0.294461 ESP Fit Center 1050 is at 4.865633 -2.259120 -0.053478 ESP Fit Center 1051 is at 4.800995 -1.830274 -0.053478 ESP Fit Center 1052 is at 3.086960 -3.677565 -0.053478 ESP Fit Center 1053 is at 3.519437 -3.709974 -0.053478 ESP Fit Center 1054 is at 3.942253 -3.613469 -0.053478 ESP Fit Center 1055 is at 4.317840 -3.396624 -0.053478 ESP Fit Center 1056 is at 4.612824 -3.078707 -0.053478 ESP Fit Center 1057 is at 4.800995 -2.687966 -0.053478 ESP Fit Center 1058 is at 5.033466 -2.259120 -0.458662 ESP Fit Center 1059 is at 4.978172 -1.839120 -0.458662 ESP Fit Center 1060 is at 4.816058 -1.447742 -0.458662 ESP Fit Center 1061 is at 2.990710 -3.826581 -0.458662 ESP Fit Center 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ESP Fit Center 1135 is at -4.803284 -1.676924 1.071109 ESP Fit Center 1136 is at -4.444036 -1.904910 1.071109 ESP Fit Center 1137 is at -4.039377 -2.036391 1.071109 ESP Fit Center 1138 is at -5.538649 0.045747 0.696782 ESP Fit Center 1139 is at -5.585385 -0.369047 0.696782 ESP Fit Center 1140 is at -5.538649 -0.783842 0.696782 ESP Fit Center 1141 is at -5.400784 -1.177837 0.696782 ESP Fit Center 1142 is at -5.178704 -1.531276 0.696782 ESP Fit Center 1143 is at -4.883544 -1.826437 0.696782 ESP Fit Center 1144 is at -4.530104 -2.048517 0.696782 ESP Fit Center 1145 is at -5.136471 0.971460 0.295985 ESP Fit Center 1146 is at -5.391554 0.635903 0.295985 ESP Fit Center 1147 is at -5.568540 0.253355 0.295985 ESP Fit Center 1148 is at -5.659151 -0.158295 0.295985 ESP Fit Center 1149 is at -5.659151 -0.579800 0.295985 ESP Fit Center 1150 is at -5.568540 -0.991450 0.295985 ESP Fit Center 1151 is at -5.391554 -1.373997 0.295985 ESP Fit Center 1152 is at -5.136471 -1.709554 0.295985 ESP Fit Center 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Center 1189 is at -3.928605 1.072691 -1.220387 ESP Fit Center 1190 is at -4.326393 0.955890 -1.220387 ESP Fit Center 1191 is at -4.675161 0.731750 -1.220387 ESP Fit Center 1192 is at -4.946654 0.418431 -1.220387 ESP Fit Center 1193 is at -5.118877 0.041314 -1.220387 ESP Fit Center 1194 is at -5.177878 -0.369047 -1.220387 ESP Fit Center 1195 is at -5.118877 -0.779409 -1.220387 ESP Fit Center 1196 is at -4.946654 -1.156525 -1.220387 ESP Fit Center 1197 is at -4.675161 -1.469845 -1.220387 ESP Fit Center 1198 is at -4.326393 -1.693984 -1.220387 ESP Fit Center 1199 is at -3.928605 -1.810785 -1.220387 ESP Fit Center 1200 is at -2.869932 0.407090 -1.494565 ESP Fit Center 1201 is at -3.207797 0.662234 -1.494565 ESP Fit Center 1202 is at -3.615016 0.778097 -1.494565 ESP Fit Center 1203 is at -4.036590 0.739033 -1.494565 ESP Fit Center 1204 is at -4.415585 0.550316 -1.494565 ESP Fit Center 1205 is at -4.700815 0.237434 -1.494565 ESP Fit Center 1206 is at -4.853758 -0.157357 -1.494565 ESP Fit Center 1207 is at -4.853758 -0.580738 -1.494565 ESP Fit Center 1208 is at -4.700815 -0.975528 -1.494565 ESP Fit Center 1209 is at -4.415585 -1.288410 -1.494565 ESP Fit Center 1210 is at -4.036590 -1.477127 -1.494565 ESP Fit Center 1211 is at -3.030916 0.029555 -1.699440 ESP Fit Center 1212 is at -3.322713 0.321351 -1.699440 ESP Fit Center 1213 is at -3.721314 0.428157 -1.699440 ESP Fit Center 1214 is at -4.119916 0.321351 -1.699440 ESP Fit Center 1215 is at -4.411713 0.029555 -1.699440 ESP Fit Center 1216 is at -4.518518 -0.369047 -1.699440 ESP Fit Center 1217 is at -4.411713 -0.767649 -1.699440 ESP Fit Center 1218 is at -4.119916 -1.059446 -1.699440 ESP Fit Center 1219 is at -3.721314 -1.166251 -1.699440 ESP Fit Center 1220 is at -3.313808 -0.369047 -1.826061 ESP Fit Center 1221 is at -3.517561 -0.016136 -1.826061 ESP Fit Center 1222 is at -3.925068 -0.016136 -1.826061 ESP Fit Center 1223 is at -4.128821 -0.369047 -1.826061 ESP Fit Center 1224 is at -3.925068 -0.721959 -1.826061 ESP Fit Center 1225 is at -3.517561 -0.721959 -1.826061 ESP Fit Center 1226 is at -3.721314 -0.369047 -1.868891 ESP Fit Center 1227 is at -2.320898 -2.515404 1.999015 ESP Fit Center 1228 is at -1.913391 -2.515404 1.956184 ESP Fit Center 1229 is at -2.117145 -2.162493 1.956184 ESP Fit Center 1230 is at -2.524652 -2.162493 1.956184 ESP Fit Center 1231 is at -2.728405 -2.515404 1.956184 ESP Fit Center 1232 is at -2.524652 -2.868315 1.956184 ESP Fit Center 1233 is at -2.117145 -2.868315 1.956184 ESP Fit Center 1234 is at -1.523694 -2.515404 1.829564 ESP Fit Center 1235 is at -1.630500 -2.116802 1.829564 ESP Fit Center 1236 is at -3.011297 -2.116802 1.829564 ESP Fit Center 1237 is at -3.118102 -2.515404 1.829564 ESP Fit Center 1238 is at -3.011297 -2.914006 1.829564 ESP Fit Center 1239 is at -2.719500 -3.205803 1.829564 ESP Fit Center 1240 is at -2.320898 -3.312608 1.829564 ESP Fit Center 1241 is at -1.922296 -3.205803 1.829564 ESP Fit Center 1242 is at -1.630500 -2.914006 1.829564 ESP Fit Center 1243 is at -1.168839 -2.515404 1.624688 ESP Fit Center 1244 is at -1.246635 -2.099232 1.624688 ESP Fit Center 1245 is at -3.453341 -2.303714 1.624688 ESP Fit Center 1246 is at -3.453341 -2.727094 1.624688 ESP Fit Center 1247 is at -3.300399 -3.121885 1.624688 ESP Fit Center 1248 is at -3.015169 -3.434767 1.624688 ESP Fit Center 1249 is at -2.636174 -3.623484 1.624688 ESP Fit Center 1250 is at -2.214600 -3.662549 1.624688 ESP Fit Center 1251 is at -1.807381 -3.546685 1.624688 ESP Fit Center 1252 is at -1.469516 -3.291541 1.624688 ESP Fit Center 1253 is at -1.246635 -2.931576 1.624688 ESP Fit Center 1254 is at -0.864334 -2.515404 1.350511 ESP Fit Center 1255 is at -0.923335 -2.105042 1.350511 ESP Fit Center 1256 is at -3.718461 -2.105042 1.350511 ESP Fit Center 1257 is at -3.777462 -2.515404 1.350511 ESP Fit Center 1258 is at -3.718461 -2.925765 1.350511 ESP Fit Center 1259 is at -3.546238 -3.302882 1.350511 ESP Fit Center 1260 is at -3.274745 -3.616201 1.350511 ESP Fit Center 1261 is at -2.925977 -3.840341 1.350511 ESP Fit Center 1262 is at -2.528189 -3.957142 1.350511 ESP Fit Center 1263 is at -2.113608 -3.957142 1.350511 ESP Fit Center 1264 is at -1.715820 -3.840341 1.350511 ESP Fit Center 1265 is at -1.367052 -3.616201 1.350511 ESP Fit Center 1266 is at -1.095559 -3.302882 1.350511 ESP Fit Center 1267 is at -0.923335 -2.925765 1.350511 ESP Fit Center 1268 is at -4.004923 -2.302662 1.019015 ESP Fit Center 1269 is at -4.004923 -2.728146 1.019015 ESP Fit Center 1270 is at -3.899110 -3.140262 1.019015 ESP Fit Center 1271 is at -3.694132 -3.513116 1.019015 ESP Fit Center 1272 is at -3.402868 -3.823281 1.019015 ESP Fit Center 1273 is at -3.043620 -4.051266 1.019015 ESP Fit Center 1274 is at -2.638961 -4.182748 1.019015 ESP Fit Center 1275 is at -2.214317 -4.209464 1.019015 ESP Fit Center 1276 is at -1.796370 -4.129737 1.019015 ESP Fit Center 1277 is at -1.411381 -3.948574 1.019015 ESP Fit Center 1278 is at -1.083540 -3.677361 1.019015 ESP Fit Center 1279 is at 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-3.520354 0.243890 ESP Fit Center 1298 is at -3.736054 -3.855911 0.243890 ESP Fit Center 1299 is at -3.414799 -4.128787 0.243890 ESP Fit Center 1300 is at -3.042395 -4.326224 0.243890 ESP Fit Center 1301 is at -2.636254 -4.438988 0.243890 ESP Fit Center 1302 is at -2.215367 -4.461808 0.243890 ESP Fit Center 1303 is at -1.799415 -4.393616 0.243890 ESP Fit Center 1304 is at -1.407847 -4.237601 0.243890 ESP Fit Center 1305 is at -1.058972 -4.001058 0.243890 ESP Fit Center 1306 is at -0.769104 -3.695048 0.243890 ESP Fit Center 1307 is at -0.551795 -3.333878 0.243890 ESP Fit Center 1308 is at -4.258735 -2.304652 -0.165861 ESP Fit Center 1309 is at -4.258735 -2.726156 -0.165861 ESP Fit Center 1310 is at -4.168123 -3.137807 -0.165861 ESP Fit Center 1311 is at -3.991138 -3.520354 -0.165861 ESP Fit Center 1312 is at -3.736054 -3.855911 -0.165861 ESP Fit Center 1313 is at -3.414799 -4.128787 -0.165861 ESP Fit Center 1314 is at -3.042395 -4.326224 -0.165861 ESP Fit Center 1315 is at -2.636254 -4.438988 -0.165861 ESP Fit Center 1316 is at -2.215367 -4.461808 -0.165861 ESP Fit Center 1317 is at -1.799415 -4.393616 -0.165861 ESP Fit Center 1318 is at -1.407847 -4.237601 -0.165861 ESP Fit Center 1319 is at -1.058972 -4.001058 -0.165861 ESP Fit Center 1320 is at -0.769104 -3.695048 -0.165861 ESP Fit Center 1321 is at -0.551795 -3.333878 -0.165861 ESP Fit Center 1322 is at -4.184969 -2.515404 -0.566659 ESP Fit Center 1323 is at -4.138233 -2.930199 -0.566659 ESP Fit Center 1324 is at -4.000368 -3.324194 -0.566659 ESP Fit Center 1325 is at -3.778287 -3.677633 -0.566659 ESP Fit Center 1326 is at -3.483127 -3.972793 -0.566659 ESP Fit Center 1327 is at -3.129688 -4.194874 -0.566659 ESP Fit Center 1328 is at -2.735693 -4.332739 -0.566659 ESP Fit Center 1329 is at -2.320898 -4.379475 -0.566659 ESP Fit Center 1330 is at -1.906104 -4.332739 -0.566659 ESP Fit Center 1331 is at -1.512108 -4.194874 -0.566659 ESP Fit Center 1332 is at -1.158669 -3.972793 -0.566659 ESP Fit Center 1333 is at 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1351 is at -3.546238 -3.302882 -1.272481 ESP Fit Center 1352 is at -3.274745 -3.616201 -1.272481 ESP Fit Center 1353 is at -2.925977 -3.840341 -1.272481 ESP Fit Center 1354 is at -2.528189 -3.957142 -1.272481 ESP Fit Center 1355 is at -2.113608 -3.957142 -1.272481 ESP Fit Center 1356 is at -1.715820 -3.840341 -1.272481 ESP Fit Center 1357 is at -1.367052 -3.616201 -1.272481 ESP Fit Center 1358 is at -1.095559 -3.302882 -1.272481 ESP Fit Center 1359 is at -0.923335 -2.925765 -1.272481 ESP Fit Center 1360 is at -1.168839 -2.515404 -1.546659 ESP Fit Center 1361 is at -1.246635 -2.099232 -1.546659 ESP Fit Center 1362 is at -3.453341 -2.303714 -1.546659 ESP Fit Center 1363 is at -3.453341 -2.727094 -1.546659 ESP Fit Center 1364 is at -3.300399 -3.121885 -1.546659 ESP Fit Center 1365 is at -3.015169 -3.434767 -1.546659 ESP Fit Center 1366 is at -2.636174 -3.623484 -1.546659 ESP Fit Center 1367 is at -2.214600 -3.662549 -1.546659 ESP Fit Center 1368 is at -1.807381 -3.546685 -1.546659 ESP Fit Center 1369 is at -1.469516 -3.291541 -1.546659 ESP Fit Center 1370 is at -1.246635 -2.931576 -1.546659 ESP Fit Center 1371 is at -1.523694 -2.515404 -1.751534 ESP Fit Center 1372 is at -1.630500 -2.116802 -1.751534 ESP Fit Center 1373 is at -3.011297 -2.116802 -1.751534 ESP Fit Center 1374 is at -3.118102 -2.515404 -1.751534 ESP Fit Center 1375 is at -3.011297 -2.914006 -1.751534 ESP Fit Center 1376 is at -2.719500 -3.205803 -1.751534 ESP Fit Center 1377 is at -2.320898 -3.312608 -1.751534 ESP Fit Center 1378 is at -1.922296 -3.205803 -1.751534 ESP Fit Center 1379 is at -1.630500 -2.914006 -1.751534 ESP Fit Center 1380 is at -1.913391 -2.515404 -1.878155 ESP Fit Center 1381 is at -2.117145 -2.162493 -1.878155 ESP Fit Center 1382 is at -2.524652 -2.162493 -1.878155 ESP Fit Center 1383 is at -2.728405 -2.515404 -1.878155 ESP Fit Center 1384 is at -2.524652 -2.868315 -1.878155 ESP Fit Center 1385 is at -2.117145 -2.868315 -1.878155 ESP Fit Center 1386 is at -2.320898 -2.515404 -1.920985 ESP Fit Center 1387 is at -3.772997 0.234732 2.628421 ESP Fit Center 1388 is at -3.338181 0.234732 2.571176 ESP Fit Center 1389 is at -3.555589 0.611294 2.571176 ESP Fit Center 1390 is at -3.990405 0.611294 2.571176 ESP Fit Center 1391 is at -4.207813 0.234732 2.571176 ESP Fit Center 1392 is at -3.990405 -0.141829 2.571176 ESP Fit Center 1393 is at -3.555589 -0.141829 2.571176 ESP Fit Center 1394 is at -2.932997 0.234732 2.403344 ESP Fit Center 1395 is at -3.045535 0.654732 2.403344 ESP Fit Center 1396 is at -3.352997 0.962194 2.403344 ESP Fit Center 1397 is at -3.772997 1.074732 2.403344 ESP Fit Center 1398 is at -4.192997 0.962194 2.403344 ESP Fit Center 1399 is at -4.500458 0.654732 2.403344 ESP Fit Center 1400 is at -4.612997 0.234732 2.403344 ESP Fit Center 1401 is at -4.500458 -0.185268 2.403344 ESP Fit Center 1402 is at -4.192997 -0.492729 2.403344 ESP Fit Center 1403 is at -3.772997 -0.605268 2.403344 ESP Fit Center 1404 is at -3.352997 -0.492729 2.403344 ESP Fit Center 1405 is at -3.045535 -0.185268 2.403344 ESP Fit Center 1406 is at -2.585057 0.234732 2.136360 ESP Fit Center 1407 is at -2.665276 0.663865 2.136360 ESP Fit Center 1408 is at -2.895099 1.035042 2.136360 ESP Fit Center 1409 is at -3.243487 1.298132 2.136360 ESP Fit Center 1410 is at -3.663388 1.417604 2.136360 ESP Fit Center 1411 is at -4.098092 1.377323 2.136360 ESP Fit Center 1412 is at -4.488890 1.182728 2.136360 ESP Fit Center 1413 is at -4.783003 0.860102 2.136360 ESP Fit Center 1414 is at -4.940709 0.453016 2.136360 ESP Fit Center 1415 is at -4.940709 0.016449 2.136360 ESP Fit Center 1416 is at -4.783003 -0.390637 2.136360 ESP Fit Center 1417 is at -4.488890 -0.713264 2.136360 ESP Fit Center 1418 is at -4.098092 -0.907858 2.136360 ESP Fit Center 1419 is at -3.663388 -0.948140 2.136360 ESP Fit Center 1420 is at -3.243487 -0.828667 2.136360 ESP Fit Center 1421 is at -2.895099 -0.565577 2.136360 ESP Fit Center 1422 is at -2.665276 -0.194401 2.136360 ESP Fit Center 1423 is at -2.318074 0.234732 1.788421 ESP Fit Center 1424 is at -2.382712 0.663578 1.788421 ESP Fit Center 1425 is at -3.664270 1.685587 1.788421 ESP Fit Center 1426 is at -4.096747 1.653177 1.788421 ESP Fit Center 1427 is at -4.500458 1.494732 1.788421 ESP Fit Center 1428 is at -4.839531 1.224331 1.788421 ESP Fit Center 1429 is at -5.083837 0.866000 1.788421 ESP Fit Center 1430 is at -5.211669 0.451577 1.788421 ESP Fit Center 1431 is at -5.211669 0.017887 1.788421 ESP Fit Center 1432 is at -5.083837 -0.396535 1.788421 ESP Fit Center 1433 is at -4.839531 -0.754866 1.788421 ESP Fit Center 1434 is at -4.500458 -1.025268 1.788421 ESP Fit Center 1435 is at -4.192997 1.802194 1.383237 ESP Fit Center 1436 is at -4.584374 1.640080 1.383237 ESP Fit Center 1437 is at -4.920458 1.382194 1.383237 ESP Fit Center 1438 is at -5.178344 1.046110 1.383237 ESP Fit Center 1439 is at -5.340458 0.654732 1.383237 ESP Fit Center 1440 is at -5.395752 0.234732 1.383237 ESP Fit Center 1441 is at -5.340458 -0.185268 1.383237 ESP Fit Center 1442 is at -4.488306 1.754842 0.948421 ESP Fit Center 1443 is at -4.843869 1.529195 0.948421 ESP Fit Center 1444 is at -5.132145 1.222212 0.948421 ESP Fit Center 1445 is at -5.335021 0.853182 0.948421 ESP Fit Center 1446 is at -5.439749 0.445292 0.948421 ESP Fit Center 1447 is at -5.439749 0.024172 0.948421 ESP Fit Center 1448 is at -4.584374 1.640080 0.513605 ESP Fit Center 1449 is at -4.920458 1.382194 0.513605 ESP Fit Center 1450 is at -5.178344 1.046110 0.513605 ESP Fit Center 1451 is at -5.340458 0.654732 0.513605 ESP Fit Center 1452 is at -4.500458 1.494732 0.108421 ESP Fit Center 1453 is at 1.859563 -0.139262 -2.456581 ESP Fit Center 1454 is at 3.652130 -0.722019 3.523227 ESP Fit Center 1455 is at 3.026996 -1.082940 3.523227 ESP Fit Center 1456 is at 3.443752 -1.082940 3.523227 ESP Fit Center 1457 is at 4.056222 -0.722019 3.414950 ESP Fit Center 1458 is at 2.824950 -1.432895 3.414950 ESP Fit Center 1459 is at 3.235374 -1.542868 3.414950 ESP Fit Center 1460 is at 3.645798 -1.432895 3.414950 ESP Fit Center 1461 is at 3.946250 -1.132444 3.414950 ESP Fit Center 1462 is at 4.435374 -0.722019 3.238149 ESP Fit Center 1463 is at 4.363005 -0.311595 3.238149 ESP Fit Center 1464 is at 4.154627 -1.493364 3.238149 ESP Fit Center 1465 is at 4.363005 -1.132444 3.238149 ESP Fit Center 1466 is at 4.778064 -0.722019 2.998195 ESP Fit Center 1467 is at 4.720857 -0.305806 2.998195 ESP Fit Center 1468 is at 4.553479 0.079538 2.998195 ESP Fit Center 1469 is at 1.820401 -1.336629 2.998195 ESP Fit Center 1470 is at 4.288342 -1.849473 2.998195 ESP Fit Center 1471 is at 4.553479 -1.523576 2.998195 ESP Fit Center 1472 is at 4.720857 -1.138232 2.998195 ESP Fit Center 1473 is at 4.643752 0.459750 2.702378 ESP Fit Center 1474 is at 1.507743 -1.350826 2.702378 ESP Fit Center 1475 is at 4.643752 -1.903789 2.702378 ESP Fit Center 1476 is at 4.878324 -1.547140 2.702378 ESP Fit Center 1477 is at 1.167577 -0.932294 2.359688 ESP Fit Center 1478 is at 1.252233 -1.344234 2.359688 ESP Fit Center 1479 is at 4.543554 1.115063 1.980536 ESP Fit Center 1480 is at 4.867584 -2.278329 1.980536 ESP Fit Center 1481 is at 4.355381 1.359302 1.576444 ESP Fit Center 1482 is at 3.965748 1.525839 1.576444 ESP Fit Center 1483 is at 4.435374 1.356442 1.159688 ESP Fit Center 1484 is at 4.056222 1.533243 1.159688 ESP Fit Center 1485 is at 4.778064 -2.560526 1.159688 ESP Fit Center 1486 is at 4.355381 1.359302 0.742932 ESP Fit Center 1487 is at 4.709016 -2.569908 0.742932 ESP Fit Center 1488 is at 4.172244 1.329439 0.338840 ESP Fit Center 1489 is at 1.467204 -2.977430 0.871103 ESP Fit Center 1490 is at 1.828547 -3.209651 0.871103 ESP Fit Center 1491 is at 1.561661 -3.385016 0.565625 ESP Fit Center 1492 is at 1.942763 -3.549407 0.565625 ESP Fit Center 1493 is at 2.351503 -3.621479 0.565625 ESP Fit Center 1494 is at 2.765847 -3.597346 0.565625 ESP Fit Center 1495 is at 1.452857 -3.573469 0.214177 ESP Fit Center 1496 is at 1.835810 -3.743971 0.214177 ESP Fit Center 1497 is at 2.245843 -3.831126 0.214177 ESP Fit Center 1498 is at 2.665037 -3.831126 0.214177 ESP Fit Center 1499 is at 1.258470 -3.628337 -0.171271 ESP Fit Center 1500 is at 1.630953 -3.827434 -0.171271 ESP Fit Center 1501 is at 2.035120 -3.950036 -0.171271 ESP Fit Center 1502 is at 2.455440 -3.991434 -0.171271 ESP Fit Center 1503 is at 0.994810 -3.522602 -0.577595 ESP Fit Center 1504 is at 1.340218 -3.768566 -0.577595 ESP Fit Center 1505 is at 1.725933 -3.944717 -0.577595 ESP Fit Center 1506 is at 2.138015 -4.044687 -0.577595 ESP Fit Center 1507 is at 2.561569 -4.064863 -0.577595 ESP Fit Center 1508 is at 0.994810 -3.522602 -0.990958 ESP Fit Center 1509 is at 1.340218 -3.768566 -0.990958 ESP Fit Center 1510 is at 1.725933 -3.944717 -0.990958 ESP Fit Center 1511 is at 2.138015 -4.044687 -0.990958 ESP Fit Center 1512 is at 2.561569 -4.064863 -0.990958 ESP Fit Center 1513 is at 0.931986 -3.360399 -1.397282 ESP Fit Center 1514 is at 1.258470 -3.628337 -1.397282 ESP Fit Center 1515 is at 1.630953 -3.827434 -1.397282 ESP Fit Center 1516 is at 2.035120 -3.950036 -1.397282 ESP Fit Center 1517 is at 2.455440 -3.991434 -1.397282 ESP Fit Center 1518 is at 0.623630 -2.652519 -1.782730 ESP Fit Center 1519 is at 0.833227 -3.015552 -1.782730 ESP Fit Center 1520 is at 1.113722 -3.327073 -1.782730 ESP Fit Center 1521 is at 1.452857 -3.573469 -1.782730 ESP Fit Center 1522 is at 1.835810 -3.743971 -1.782730 ESP Fit Center 1523 is at 2.245843 -3.831126 -1.782730 ESP Fit Center 1524 is at 2.665037 -3.831126 -1.782730 ESP Fit Center 1525 is at 0.679969 -2.044468 -2.134178 ESP Fit Center 1526 is at 0.775685 -2.448326 -2.134178 ESP Fit Center 1527 is at 0.961957 -2.819224 -2.134178 ESP Fit Center 1528 is at 1.228743 -3.137168 -2.134178 ESP Fit Center 1529 is at 1.561661 -3.385016 -2.134178 ESP Fit Center 1530 is at 1.942763 -3.549407 -2.134178 ESP Fit Center 1531 is at 2.351503 -3.621479 -2.134178 ESP Fit Center 1532 is at 2.765847 -3.597346 -2.134178 ESP Fit Center 1533 is at 3.724958 -1.021076 -2.439657 ESP Fit Center 1534 is at 1.467204 -0.696460 -2.439657 ESP Fit Center 1535 is at 1.185923 -1.021076 -2.439657 ESP Fit Center 1536 is at 1.007490 -1.411788 -2.439657 ESP Fit Center 1537 is at 0.946362 -1.836945 -2.439657 ESP Fit Center 1538 is at 1.007490 -2.262101 -2.439657 ESP Fit Center 1539 is at 1.185923 -2.652814 -2.439657 ESP Fit Center 1540 is at 1.467204 -2.977430 -2.439657 ESP Fit Center 1541 is at 1.828547 -3.209651 -2.439657 ESP Fit Center 1542 is at 2.240676 -3.330663 -2.439657 ESP Fit Center 1543 is at 2.670204 -3.330663 -2.439657 ESP Fit Center 1544 is at 3.555019 -1.410966 -2.688763 ESP Fit Center 1545 is at 3.326886 -1.042517 -2.688763 ESP Fit Center 1546 is at 2.981059 -0.781361 -2.688763 ESP Fit Center 1547 is at 2.564244 -0.662767 -2.688763 ESP Fit Center 1548 is at 2.132735 -0.702752 -2.688763 ESP Fit Center 1549 is at 1.744809 -0.895916 -2.688763 ESP Fit Center 1550 is at 1.452857 -1.216172 -2.688763 ESP Fit Center 1551 is at 1.296310 -1.620266 -2.688763 ESP Fit Center 1552 is at 1.296310 -2.053624 -2.688763 ESP Fit Center 1553 is at 1.452857 -2.457718 -2.688763 ESP Fit Center 1554 is at 1.744809 -2.777973 -2.688763 ESP Fit Center 1555 is at 2.132735 -2.971137 -2.688763 ESP Fit Center 1556 is at 2.564244 -3.011123 -2.688763 ESP Fit Center 1557 is at 2.981059 -2.892529 -2.688763 ESP Fit Center 1558 is at 3.264622 -1.836945 -2.873014 ESP Fit Center 1559 is at 3.156212 -1.432354 -2.873014 ESP Fit Center 1560 is at 2.860031 -1.136173 -2.873014 ESP Fit Center 1561 is at 2.455440 -1.027763 -2.873014 ESP Fit Center 1562 is at 2.050850 -1.136173 -2.873014 ESP Fit Center 1563 is at 1.754669 -1.432354 -2.873014 ESP Fit Center 1564 is at 1.646259 -1.836945 -2.873014 ESP Fit Center 1565 is at 1.754669 -2.241535 -2.873014 ESP Fit Center 1566 is at 2.050850 -2.537716 -2.873014 ESP Fit Center 1567 is at 2.455440 -2.646126 -2.873014 ESP Fit Center 1568 is at 2.860031 -2.537716 -2.873014 ESP Fit Center 1569 is at 3.156212 -2.241535 -2.873014 ESP Fit Center 1570 is at 2.867039 -1.836945 -2.986136 ESP Fit Center 1571 is at 2.661240 -1.480490 -2.986136 ESP Fit Center 1572 is at 2.249641 -1.480490 -2.986136 ESP Fit Center 1573 is at 2.043841 -1.836945 -2.986136 ESP Fit Center 1574 is at 2.249641 -2.193400 -2.986136 ESP Fit Center 1575 is at 2.661240 -2.193400 -2.986136 ESP Fit Center 1576 is at 2.455440 -1.836945 -3.024277 ESP Fit Center 1577 is at -2.413912 1.806009 2.270918 ESP Fit Center 1578 is at -2.002313 1.806009 2.232778 ESP Fit Center 1579 is at -2.208112 2.162465 2.232778 ESP Fit Center 1580 is at -2.619711 2.162465 2.232778 ESP Fit Center 1581 is at -2.825511 1.806009 2.232778 ESP Fit Center 1582 is at -2.619711 1.449554 2.232778 ESP Fit Center 1583 is at -2.208112 1.449554 2.232778 ESP Fit Center 1584 is at -2.009321 2.506781 2.119656 ESP Fit Center 1585 is at -2.413912 2.615191 2.119656 ESP Fit Center 1586 is at -2.818502 2.506781 2.119656 ESP Fit Center 1587 is at -3.114683 2.210600 2.119656 ESP Fit Center 1588 is at -3.223093 1.806009 2.119656 ESP Fit Center 1589 is at -2.413912 0.996828 2.119656 ESP Fit Center 1590 is at -1.542466 2.600437 1.935404 ESP Fit Center 1591 is at -1.888293 2.861593 1.935404 ESP Fit Center 1592 is at -2.305108 2.980187 1.935404 ESP Fit Center 1593 is at -2.736617 2.940202 1.935404 ESP Fit Center 1594 is at -3.124543 2.747038 1.935404 ESP Fit Center 1595 is at -3.416495 2.426783 1.935404 ESP Fit Center 1596 is at -3.573041 2.022688 1.935404 ESP Fit Center 1597 is at -1.787018 3.178715 1.686298 ESP Fit Center 1598 is at -2.199147 3.299727 1.686298 ESP Fit Center 1599 is at -2.628676 3.299727 1.686298 ESP Fit Center 1600 is at -3.040805 3.178715 1.686298 ESP Fit Center 1601 is at -3.402148 2.946495 1.686298 ESP Fit Center 1602 is at -3.683429 2.621879 1.686298 ESP Fit Center 1603 is at -3.861862 2.231166 1.686298 ESP Fit Center 1604 is at -1.705896 3.447375 1.380820 ESP Fit Center 1605 is at -2.103505 3.566411 1.380820 ESP Fit Center 1606 is at -2.517849 3.590544 1.380820 ESP Fit Center 1607 is at -2.926589 3.518472 1.380820 ESP Fit Center 1608 is at -3.307691 3.354081 1.380820 ESP Fit Center 1609 is at -3.640609 3.106232 1.380820 ESP Fit Center 1610 is at -3.907395 2.788289 1.380820 ESP Fit Center 1611 is at -4.093667 2.417391 1.380820 ESP Fit Center 1612 is at -1.794281 3.713035 1.029372 ESP Fit Center 1613 is at -2.204315 3.800191 1.029372 ESP Fit Center 1614 is at -2.623509 3.800191 1.029372 ESP Fit Center 1615 is at -3.033542 3.713035 1.029372 ESP Fit Center 1616 is at -3.416495 3.542534 1.029372 ESP Fit Center 1617 is at -3.755629 3.296138 1.029372 ESP Fit Center 1618 is at -4.036125 2.984616 1.029372 ESP Fit Center 1619 is at -4.245722 2.621584 1.029372 ESP Fit Center 1620 is at -4.375260 2.222907 1.029372 ESP Fit Center 1621 is at -1.993592 3.919101 0.643923 ESP Fit Center 1622 is at -2.413912 3.960499 0.643923 ESP Fit Center 1623 is at -2.834232 3.919101 0.643923 ESP Fit Center 1624 is at -3.238399 3.796498 0.643923 ESP Fit Center 1625 is at -3.610882 3.597402 0.643923 ESP Fit Center 1626 is at -3.937366 3.329464 0.643923 ESP Fit Center 1627 is at -4.205304 3.002980 0.643923 ESP Fit Center 1628 is at -4.404400 2.630497 0.643923 ESP Fit Center 1629 is at -4.527003 2.226330 0.643923 ESP Fit Center 1630 is at -1.888064 3.973581 0.237599 ESP Fit Center 1631 is at -2.307783 4.033928 0.237599 ESP Fit Center 1632 is at -2.731337 4.013751 0.237599 ESP Fit Center 1633 is at -3.143419 3.913781 0.237599 ESP Fit Center 1634 is at -3.529134 3.737631 0.237599 ESP Fit Center 1635 is at -3.874542 3.491667 0.237599 ESP Fit Center 1636 is at -4.167159 3.184779 0.237599 ESP Fit Center 1637 is at -4.396410 2.828058 0.237599 ESP Fit Center 1638 is at -4.554008 2.434398 0.237599 ESP Fit Center 1639 is at -4.634257 2.018027 0.237599 ESP Fit Center 1640 is at -1.888064 3.973581 -0.175763 ESP Fit Center 1641 is at -2.307783 4.033928 -0.175763 ESP Fit Center 1642 is at -2.731337 4.013751 -0.175763 ESP Fit Center 1643 is at -3.143419 3.913781 -0.175763 ESP Fit Center 1644 is at -3.529134 3.737631 -0.175763 ESP Fit Center 1645 is at -3.874542 3.491667 -0.175763 ESP Fit Center 1646 is at -4.167159 3.184779 -0.175763 ESP Fit Center 1647 is at -4.396410 2.828058 -0.175763 ESP Fit Center 1648 is at -4.554008 2.434398 -0.175763 ESP Fit Center 1649 is at -4.634257 2.018027 -0.175763 ESP Fit Center 1650 is at -1.993592 3.919101 -0.582087 ESP Fit Center 1651 is at -2.413912 3.960499 -0.582087 ESP Fit Center 1652 is at -2.834232 3.919101 -0.582087 ESP Fit Center 1653 is at -3.238399 3.796498 -0.582087 ESP Fit Center 1654 is at -3.610882 3.597402 -0.582087 ESP Fit Center 1655 is at -3.937366 3.329464 -0.582087 ESP Fit Center 1656 is at -4.205304 3.002980 -0.582087 ESP Fit Center 1657 is at -4.404400 2.630497 -0.582087 ESP Fit Center 1658 is at -4.527003 2.226330 -0.582087 ESP Fit Center 1659 is at -4.568401 1.806009 -0.582087 ESP Fit Center 1660 is at -1.794281 3.713035 -0.967536 ESP Fit Center 1661 is at -2.204315 3.800191 -0.967536 ESP Fit Center 1662 is at -2.623509 3.800191 -0.967536 ESP Fit Center 1663 is at -3.033542 3.713035 -0.967536 ESP Fit Center 1664 is at -3.416495 3.542534 -0.967536 ESP Fit Center 1665 is at -3.755629 3.296138 -0.967536 ESP Fit Center 1666 is at -4.036125 2.984616 -0.967536 ESP Fit Center 1667 is at -4.245722 2.621584 -0.967536 ESP Fit Center 1668 is at -4.375260 2.222907 -0.967536 ESP Fit Center 1669 is at -4.419077 1.806009 -0.967536 ESP Fit Center 1670 is at -1.705896 3.447375 -1.318984 ESP Fit Center 1671 is at -2.103505 3.566411 -1.318984 ESP Fit Center 1672 is at -2.517849 3.590544 -1.318984 ESP Fit Center 1673 is at -2.926589 3.518472 -1.318984 ESP Fit Center 1674 is at -3.307691 3.354081 -1.318984 ESP Fit Center 1675 is at -3.640609 3.106232 -1.318984 ESP Fit Center 1676 is at -3.907395 2.788289 -1.318984 ESP Fit Center 1677 is at -4.093667 2.417391 -1.318984 ESP Fit Center 1678 is at -4.189383 2.013532 -1.318984 ESP Fit Center 1679 is at -4.189383 1.598487 -1.318984 ESP Fit Center 1680 is at -1.787018 3.178715 -1.624462 ESP Fit Center 1681 is at -2.199147 3.299727 -1.624462 ESP Fit Center 1682 is at -2.628676 3.299727 -1.624462 ESP Fit Center 1683 is at -3.040805 3.178715 -1.624462 ESP Fit Center 1684 is at -3.402148 2.946495 -1.624462 ESP Fit Center 1685 is at -3.683429 2.621879 -1.624462 ESP Fit Center 1686 is at -3.861862 2.231166 -1.624462 ESP Fit Center 1687 is at -3.922990 1.806009 -1.624462 ESP Fit Center 1688 is at -3.861862 1.380853 -1.624462 ESP Fit Center 1689 is at -1.888293 2.861593 -1.873568 ESP Fit Center 1690 is at -2.305108 2.980187 -1.873568 ESP Fit Center 1691 is at -2.736617 2.940202 -1.873568 ESP Fit Center 1692 is at -3.124543 2.747038 -1.873568 ESP Fit Center 1693 is at -3.416495 2.426783 -1.873568 ESP Fit Center 1694 is at -3.573041 2.022688 -1.873568 ESP Fit Center 1695 is at -3.573041 1.589331 -1.873568 ESP Fit Center 1696 is at -3.416495 1.185236 -1.873568 ESP Fit Center 1697 is at -3.124543 0.864981 -1.873568 ESP Fit Center 1698 is at -2.009321 2.506781 -2.057820 ESP Fit Center 1699 is at -2.413912 2.615191 -2.057820 ESP Fit Center 1700 is at -2.818502 2.506781 -2.057820 ESP Fit Center 1701 is at -3.114683 2.210600 -2.057820 ESP Fit Center 1702 is at -3.223093 1.806009 -2.057820 ESP Fit Center 1703 is at -3.114683 1.401419 -2.057820 ESP Fit Center 1704 is at -2.818502 1.105238 -2.057820 ESP Fit Center 1705 is at -2.208112 2.162465 -2.170942 ESP Fit Center 1706 is at -2.619711 2.162465 -2.170942 ESP Fit Center 1707 is at -2.825511 1.806009 -2.170942 ESP Fit Center 1708 is at -2.619711 1.449554 -2.170942 ESP Fit Center 1709 is at -2.413912 1.806009 -2.209082 ESP Fit Center 1710 is at -1.324232 1.226409 2.377319 ESP Fit Center 1711 is at -0.907477 1.226409 2.340857 ESP Fit Center 1712 is at -1.115855 1.587330 2.340857 ESP Fit Center 1713 is at -1.532610 1.587330 2.340857 ESP Fit Center 1714 is at -1.740988 1.226409 2.340857 ESP Fit Center 1715 is at -1.532610 0.865489 2.340857 ESP Fit Center 1716 is at -1.115855 0.865489 2.340857 ESP Fit Center 1717 is at -0.503384 1.226409 2.232581 ESP Fit Center 1718 is at -0.913808 1.937285 2.232581 ESP Fit Center 1719 is at -1.324232 2.047258 2.232581 ESP Fit Center 1720 is at -1.734657 1.937285 2.232581 ESP Fit Center 1721 is at -2.035108 1.636834 2.232581 ESP Fit Center 1722 is at -2.145081 1.226409 2.232581 ESP Fit Center 1723 is at -2.035108 0.815985 2.232581 ESP Fit Center 1724 is at -1.734657 0.515534 2.232581 ESP Fit Center 1725 is at -0.613357 0.815985 2.232581 ESP Fit Center 1726 is at -1.532610 2.408179 2.055780 ESP Fit Center 1727 is at -0.196601 0.815985 2.055780 ESP Fit Center 1728 is at -1.429509 2.765503 1.815825 ESP Fit Center 1729 is at -2.739205 0.611800 -1.861188 ESP Fit Center 1730 is at -1.532610 2.408179 -2.101142 ESP Fit Center 1731 is at -2.451863 0.815985 -2.101142 ESP Fit Center 1732 is at -2.243486 0.455064 -2.101142 ESP Fit Center 1733 is at -1.324232 2.047258 -2.277943 ESP Fit Center 1734 is at -1.734657 1.937285 -2.277943 ESP Fit Center 1735 is at -2.035108 1.636834 -2.277943 ESP Fit Center 1736 is at -2.145081 1.226409 -2.277943 ESP Fit Center 1737 is at -2.035108 0.815985 -2.277943 ESP Fit Center 1738 is at -1.734657 0.515534 -2.277943 ESP Fit Center 1739 is at -0.613357 0.815985 -2.277943 ESP Fit Center 1740 is at -0.907477 1.226409 -2.386220 ESP Fit Center 1741 is at -1.115855 1.587330 -2.386220 ESP Fit Center 1742 is at -1.532610 1.587330 -2.386220 ESP Fit Center 1743 is at -1.740988 1.226409 -2.386220 ESP Fit Center 1744 is at -1.532610 0.865489 -2.386220 ESP Fit Center 1745 is at -1.115855 0.865489 -2.386220 ESP Fit Center 1746 is at -1.324232 1.226409 -2.422681 ESP Fit Center 1747 is at -0.148058 1.943360 2.324287 ESP Fit Center 1748 is at 0.268698 1.943360 2.287826 ESP Fit Center 1749 is at 0.060320 2.304281 2.287826 ESP Fit Center 1750 is at -0.356436 2.304281 2.287826 ESP Fit Center 1751 is at -0.564813 1.943360 2.287826 ESP Fit Center 1752 is at -0.356436 1.582439 2.287826 ESP Fit Center 1753 is at 0.060320 1.582439 2.287826 ESP Fit Center 1754 is at 0.672791 1.943360 2.179549 ESP Fit Center 1755 is at 0.562818 2.353784 2.179549 ESP Fit Center 1756 is at 0.262366 2.654236 2.179549 ESP Fit Center 1757 is at -0.148058 2.764208 2.179549 ESP Fit Center 1758 is at -0.558482 2.654236 2.179549 ESP Fit Center 1759 is at -0.858933 2.353784 2.179549 ESP Fit Center 1760 is at -0.148058 1.122512 2.179549 ESP Fit Center 1761 is at 0.262366 1.232484 2.179549 ESP Fit Center 1762 is at 0.771196 2.714705 2.002748 ESP Fit Center 1763 is at 0.451942 2.982590 2.002748 ESP Fit Center 1764 is at 0.060320 3.125129 2.002748 ESP Fit Center 1765 is at -0.356436 3.125129 2.002748 ESP Fit Center 1766 is at -0.748058 2.982590 2.002748 ESP Fit Center 1767 is at -1.067311 2.714705 2.002748 ESP Fit Center 1768 is at 0.060320 0.761591 2.002748 ESP Fit Center 1769 is at 0.904910 3.070814 1.762794 ESP Fit Center 1770 is at 0.561680 3.313092 1.762794 ESP Fit Center 1771 is at 0.165812 3.453783 1.762794 ESP Fit Center 1772 is at -0.664673 3.396977 1.762794 ESP Fit Center 1773 is at -1.037697 3.203691 1.762794 ESP Fit Center 1774 is at -1.344740 2.916933 1.762794 ESP Fit Center 1775 is at 0.949822 3.418069 1.466977 ESP Fit Center 1776 is at -1.409718 3.280641 1.466977 ESP Fit Center 1777 is at 0.949822 3.418069 -1.618403 ESP Fit Center 1778 is at -1.409718 3.280641 -1.618403 ESP Fit Center 1779 is at 0.904910 3.070814 -1.914219 ESP Fit Center 1780 is at 0.561680 3.313092 -1.914219 ESP Fit Center 1781 is at 0.165812 3.453783 -1.914219 ESP Fit Center 1782 is at -0.664673 3.396977 -1.914219 ESP Fit Center 1783 is at -1.037697 3.203691 -1.914219 ESP Fit Center 1784 is at -1.344740 2.916933 -1.914219 ESP Fit Center 1785 is at 0.771196 2.714705 -2.154174 ESP Fit Center 1786 is at 0.451942 2.982590 -2.154174 ESP Fit Center 1787 is at 0.060320 3.125129 -2.154174 ESP Fit Center 1788 is at -0.356436 3.125129 -2.154174 ESP Fit Center 1789 is at -0.748058 2.982590 -2.154174 ESP Fit Center 1790 is at -1.067311 2.714705 -2.154174 ESP Fit Center 1791 is at -1.275689 2.353784 -2.154174 ESP Fit Center 1792 is at 0.562818 2.353784 -2.330975 ESP Fit Center 1793 is at 0.262366 2.654236 -2.330975 ESP Fit Center 1794 is at -0.148058 2.764208 -2.330975 ESP Fit Center 1795 is at -0.558482 2.654236 -2.330975 ESP Fit Center 1796 is at -0.858933 2.353784 -2.330975 ESP Fit Center 1797 is at -0.968906 1.943360 -2.330975 ESP Fit Center 1798 is at -0.558482 1.232484 -2.330975 ESP Fit Center 1799 is at -0.148058 1.122512 -2.330975 ESP Fit Center 1800 is at 0.268698 1.943360 -2.439251 ESP Fit Center 1801 is at 0.060320 2.304281 -2.439251 ESP Fit Center 1802 is at -0.356436 2.304281 -2.439251 ESP Fit Center 1803 is at -0.564813 1.943360 -2.439251 ESP Fit Center 1804 is at -0.356436 1.582439 -2.439251 ESP Fit Center 1805 is at 0.060320 1.582439 -2.439251 ESP Fit Center 1806 is at -0.148058 1.943360 -2.475713 ESP Fit Center 1807 is at 1.134640 1.423138 2.266447 ESP Fit Center 1808 is at 1.551396 1.423138 2.229986 ESP Fit Center 1809 is at 1.343018 1.784059 2.229986 ESP Fit Center 1810 is at 0.926262 1.784059 2.229986 ESP Fit Center 1811 is at 0.717885 1.423138 2.229986 ESP Fit Center 1812 is at 0.926262 1.062218 2.229986 ESP Fit Center 1813 is at 1.845516 1.833563 2.121709 ESP Fit Center 1814 is at 1.545064 2.134014 2.121709 ESP Fit Center 1815 is at 1.134640 2.243987 2.121709 ESP Fit Center 1816 is at 0.423765 1.012714 2.121709 ESP Fit Center 1817 is at 0.724216 0.712263 2.121709 ESP Fit Center 1818 is at 1.343018 2.604908 1.944908 ESP Fit Center 1819 is at 1.029363 2.962232 -1.972060 ESP Fit Center 1820 is at 0.926262 2.604908 -2.212014 ESP Fit Center 1821 is at 1.955489 1.423138 -2.388815 ESP Fit Center 1822 is at 1.845516 1.833563 -2.388815 ESP Fit Center 1823 is at 1.545064 2.134014 -2.388815 ESP Fit Center 1824 is at 1.134640 2.243987 -2.388815 ESP Fit Center 1825 is at 0.724216 2.134014 -2.388815 ESP Fit Center 1826 is at 0.313792 1.423138 -2.388815 ESP Fit Center 1827 is at 0.423765 1.012714 -2.388815 ESP Fit Center 1828 is at 1.845516 1.012714 -2.388815 ESP Fit Center 1829 is at 1.551396 1.423138 -2.497092 ESP Fit Center 1830 is at 1.343018 1.784059 -2.497092 ESP Fit Center 1831 is at 0.926262 1.784059 -2.497092 ESP Fit Center 1832 is at 0.717885 1.423138 -2.497092 ESP Fit Center 1833 is at 0.926262 1.062218 -2.497092 ESP Fit Center 1834 is at 1.343018 1.062218 -2.497092 ESP Fit Center 1835 is at 1.134640 1.423138 -2.533553 ESP Fit Center 1836 is at 2.113808 2.143846 2.057459 ESP Fit Center 1837 is at 2.525407 2.143846 2.019319 ESP Fit Center 1838 is at 2.319608 2.500301 2.019319 ESP Fit Center 1839 is at 1.908009 2.500301 2.019319 ESP Fit Center 1840 is at 2.922990 2.143846 1.906197 ESP Fit Center 1841 is at 2.814580 2.548436 1.906197 ESP Fit Center 1842 is at 2.518399 2.844617 1.906197 ESP Fit Center 1843 is at 2.113808 2.953027 1.906197 ESP Fit Center 1844 is at 1.709218 2.844617 1.906197 ESP Fit Center 1845 is at 3.293016 2.143846 1.721946 ESP Fit Center 1846 is at 3.213387 2.569825 1.721946 ESP Fit Center 1847 is at 2.985254 2.938273 1.721946 ESP Fit Center 1848 is at 2.639427 3.199429 1.721946 ESP Fit Center 1849 is at 2.222612 3.318023 1.721946 ESP Fit Center 1850 is at 1.791103 3.278038 1.721946 ESP Fit Center 1851 is at 1.403177 3.084874 1.721946 ESP Fit Center 1852 is at 3.622887 2.143846 1.472839 ESP Fit Center 1853 is at 3.561758 2.569002 1.472839 ESP Fit Center 1854 is at 3.383326 2.959715 1.472839 ESP Fit Center 1855 is at 3.102044 3.284331 1.472839 ESP Fit Center 1856 is at 2.740702 3.516552 1.472839 ESP Fit Center 1857 is at 2.328573 3.637564 1.472839 ESP Fit Center 1858 is at 1.899044 3.637564 1.472839 ESP Fit Center 1859 is at 1.486915 3.516552 1.472839 ESP Fit Center 1860 is at 1.125572 3.284331 1.472839 ESP Fit Center 1861 is at 3.901367 2.143846 1.167361 ESP Fit Center 1862 is at 3.853183 2.556085 1.167361 ESP Fit Center 1863 is at 3.711229 2.946101 1.167361 ESP Fit Center 1864 is at 3.483158 3.292866 1.167361 ESP Fit Center 1865 is at 3.181264 3.577688 1.167361 ESP Fit Center 1866 is at 2.821824 3.785211 1.167361 ESP Fit Center 1867 is at 2.424215 3.904247 1.167361 ESP Fit Center 1868 is at 2.009871 3.928380 1.167361 ESP Fit Center 1869 is at 1.601131 3.856308 1.167361 ESP Fit Center 1870 is at 1.220029 3.691917 1.167361 ESP Fit Center 1871 is at 3.853183 1.731606 1.167361 ESP Fit Center 1872 is at 4.118974 2.143846 0.815913 ESP Fit Center 1873 is at 4.075156 2.560743 0.815913 ESP Fit Center 1874 is at 3.945618 2.959420 0.815913 ESP Fit Center 1875 is at 3.736022 3.322453 0.815913 ESP Fit Center 1876 is at 3.455526 3.633974 0.815913 ESP Fit Center 1877 is at 3.116391 3.880370 0.815913 ESP Fit Center 1878 is at 2.733439 4.050872 0.815913 ESP Fit Center 1879 is at 2.323405 4.138027 0.815913 ESP Fit Center 1880 is at 1.904211 4.138027 0.815913 ESP Fit Center 1881 is at 1.494178 4.050872 0.815913 ESP Fit Center 1882 is at 4.075156 1.726948 0.815913 ESP Fit Center 1883 is at 4.268298 2.143846 0.430465 ESP Fit Center 1884 is at 4.226900 2.564166 0.430465 ESP Fit Center 1885 is at 4.104297 2.968333 0.430465 ESP Fit Center 1886 is at 3.905201 3.340816 0.430465 ESP Fit Center 1887 is at 3.637262 3.667300 0.430465 ESP Fit Center 1888 is at 3.310779 3.935238 0.430465 ESP Fit Center 1889 is at 2.938296 4.134334 0.430465 ESP Fit Center 1890 is at 2.534128 4.256937 0.430465 ESP Fit Center 1891 is at 2.113808 4.298335 0.430465 ESP Fit Center 1892 is at 1.693488 4.256937 0.430465 ESP Fit Center 1893 is at 1.289321 4.134334 0.430465 ESP Fit Center 1894 is at 4.226900 1.723526 0.430465 ESP Fit Center 1895 is at 4.344253 2.143846 0.024141 ESP Fit Center 1896 is at 4.303946 2.565960 0.024141 ESP Fit Center 1897 is at 4.184482 2.972818 0.024141 ESP Fit Center 1898 is at 3.990178 3.349715 0.024141 ESP Fit Center 1899 is at 3.728057 3.683029 0.024141 ESP Fit Center 1900 is at 3.407593 3.960712 0.024141 ESP Fit Center 1901 is at 3.040368 4.172729 0.024141 ESP Fit Center 1902 is at 2.639656 4.311418 0.024141 ESP Fit Center 1903 is at 2.219937 4.371764 0.024141 ESP Fit Center 1904 is at 1.796383 4.351588 0.024141 ESP Fit Center 1905 is at 1.384301 4.251618 0.024141 ESP Fit Center 1906 is at 4.303946 1.721731 0.024141 ESP Fit Center 1907 is at 4.344253 2.143846 -0.389222 ESP Fit Center 1908 is at 4.303946 2.565960 -0.389222 ESP Fit Center 1909 is at 4.184482 2.972818 -0.389222 ESP Fit Center 1910 is at 3.990178 3.349715 -0.389222 ESP Fit Center 1911 is at 3.728057 3.683029 -0.389222 ESP Fit Center 1912 is at 3.407593 3.960712 -0.389222 ESP Fit Center 1913 is at 3.040368 4.172729 -0.389222 ESP Fit Center 1914 is at 2.639656 4.311418 -0.389222 ESP Fit Center 1915 is at 2.219937 4.371764 -0.389222 ESP Fit Center 1916 is at 1.796383 4.351588 -0.389222 ESP Fit Center 1917 is at 1.384301 4.251618 -0.389222 ESP Fit Center 1918 is at 4.303946 1.721731 -0.389222 ESP Fit Center 1919 is at 4.268298 2.143846 -0.795546 ESP Fit Center 1920 is at 4.226900 2.564166 -0.795546 ESP Fit Center 1921 is at 4.104297 2.968333 -0.795546 ESP Fit Center 1922 is at 3.905201 3.340816 -0.795546 ESP Fit Center 1923 is at 3.637262 3.667300 -0.795546 ESP Fit Center 1924 is at 3.310779 3.935238 -0.795546 ESP Fit Center 1925 is at 2.938296 4.134334 -0.795546 ESP Fit Center 1926 is at 2.534128 4.256937 -0.795546 ESP Fit Center 1927 is at 2.113808 4.298335 -0.795546 ESP Fit Center 1928 is at 1.693488 4.256937 -0.795546 ESP Fit Center 1929 is at 1.289321 4.134334 -0.795546 ESP Fit Center 1930 is at 4.226900 1.723526 -0.795546 ESP Fit Center 1931 is at 4.118974 2.143846 -1.180994 ESP Fit Center 1932 is at 4.075156 2.560743 -1.180994 ESP Fit Center 1933 is at 3.945618 2.959420 -1.180994 ESP Fit Center 1934 is at 3.736022 3.322453 -1.180994 ESP Fit Center 1935 is at 3.455526 3.633974 -1.180994 ESP Fit Center 1936 is at 3.116391 3.880370 -1.180994 ESP Fit Center 1937 is at 2.733439 4.050872 -1.180994 ESP Fit Center 1938 is at 2.323405 4.138027 -1.180994 ESP Fit Center 1939 is at 1.904211 4.138027 -1.180994 ESP Fit Center 1940 is at 1.494178 4.050872 -1.180994 ESP Fit Center 1941 is at 1.111225 3.880370 -1.180994 ESP Fit Center 1942 is at 3.901367 2.143846 -1.532442 ESP Fit Center 1943 is at 3.853183 2.556085 -1.532442 ESP Fit Center 1944 is at 3.711229 2.946101 -1.532442 ESP Fit Center 1945 is at 3.483158 3.292866 -1.532442 ESP Fit Center 1946 is at 3.181264 3.577688 -1.532442 ESP Fit Center 1947 is at 2.821824 3.785211 -1.532442 ESP Fit Center 1948 is at 2.424215 3.904247 -1.532442 ESP Fit Center 1949 is at 2.009871 3.928380 -1.532442 ESP Fit Center 1950 is at 1.601131 3.856308 -1.532442 ESP Fit Center 1951 is at 1.220029 3.691917 -1.532442 ESP Fit Center 1952 is at 3.853183 1.731606 -1.532442 ESP Fit Center 1953 is at 3.622887 2.143846 -1.837921 ESP Fit Center 1954 is at 3.561758 2.569002 -1.837921 ESP Fit Center 1955 is at 3.383326 2.959715 -1.837921 ESP Fit Center 1956 is at 3.102044 3.284331 -1.837921 ESP Fit Center 1957 is at 2.740702 3.516552 -1.837921 ESP Fit Center 1958 is at 2.328573 3.637564 -1.837921 ESP Fit Center 1959 is at 1.899044 3.637564 -1.837921 ESP Fit Center 1960 is at 1.486915 3.516552 -1.837921 ESP Fit Center 1961 is at 1.125572 3.284331 -1.837921 ESP Fit Center 1962 is at 3.561758 1.718689 -1.837921 ESP Fit Center 1963 is at 3.293016 2.143846 -2.087027 ESP Fit Center 1964 is at 3.213387 2.569825 -2.087027 ESP Fit Center 1965 is at 2.985254 2.938273 -2.087027 ESP Fit Center 1966 is at 2.639427 3.199429 -2.087027 ESP Fit Center 1967 is at 2.222612 3.318023 -2.087027 ESP Fit Center 1968 is at 1.791103 3.278038 -2.087027 ESP Fit Center 1969 is at 1.403177 3.084874 -2.087027 ESP Fit Center 1970 is at 3.213387 1.717867 -2.087027 ESP Fit Center 1971 is at 2.922990 2.143846 -2.271278 ESP Fit Center 1972 is at 2.814580 2.548436 -2.271278 ESP Fit Center 1973 is at 2.518399 2.844617 -2.271278 ESP Fit Center 1974 is at 2.113808 2.953027 -2.271278 ESP Fit Center 1975 is at 1.709218 2.844617 -2.271278 ESP Fit Center 1976 is at 1.413037 2.548436 -2.271278 ESP Fit Center 1977 is at 2.518399 1.443074 -2.271278 ESP Fit Center 1978 is at 2.814580 1.739255 -2.271278 ESP Fit Center 1979 is at 2.525407 2.143846 -2.384400 ESP Fit Center 1980 is at 2.319608 2.500301 -2.384400 ESP Fit Center 1981 is at 1.908009 2.500301 -2.384400 ESP Fit Center 1982 is at 1.702209 2.143846 -2.384400 ESP Fit Center 1983 is at 1.908009 1.787391 -2.384400 ESP Fit Center 1984 is at 2.319608 1.787391 -2.384400 ESP Fit Center 1985 is at 2.113808 2.143846 -2.422541 ESP Fit Center 1986 is at 1.002355 0.418643 2.223115 ESP Fit Center 1987 is at 0.793977 0.057722 2.223115 ESP Fit Center 1988 is at 0.499857 0.468146 2.114838 ESP Fit Center 1989 is at 0.083101 0.468146 -2.218885 ESP Fit Center 1990 is at 1.921608 0.468146 -2.395686 ESP Fit Center 1991 is at 1.621157 0.768597 -2.395686 ESP Fit Center 1992 is at 0.499857 0.468146 -2.395686 ESP Fit Center 1993 is at 0.389884 0.057722 -2.395686 ESP Fit Center 1994 is at 0.800308 -0.653154 -2.395686 ESP Fit Center 1995 is at 1.210732 -0.763127 -2.395686 ESP Fit Center 1996 is at 1.627488 0.057722 -2.503963 ESP Fit Center 1997 is at 1.419110 0.418643 -2.503963 ESP Fit Center 1998 is at 1.002355 0.418643 -2.503963 ESP Fit Center 1999 is at 0.793977 0.057722 -2.503963 ESP Fit Center 2000 is at 1.002355 -0.303199 -2.503963 ESP Fit Center 2001 is at 1.419110 -0.303199 -2.503963 ESP Fit Center 2002 is at 1.210732 0.057722 -2.540424 ESP Fit Center 2003 is at 0.094113 -0.739071 2.315991 ESP Fit Center 2004 is at 0.510869 -0.739071 2.279530 ESP Fit Center 2005 is at 0.302491 -0.378150 2.279530 ESP Fit Center 2006 is at -0.114265 -0.378150 2.279530 ESP Fit Center 2007 is at -0.322643 -0.739071 2.279530 ESP Fit Center 2008 is at -0.114265 -1.099992 2.279530 ESP Fit Center 2009 is at 0.302491 -1.099992 2.279530 ESP Fit Center 2010 is at 0.914961 -0.739071 2.171254 ESP Fit Center 2011 is at 0.504537 -0.028195 2.171254 ESP Fit Center 2012 is at 0.094113 0.081778 2.171254 ESP Fit Center 2013 is at -0.616763 -1.149495 2.171254 ESP Fit Center 2014 is at -0.316311 -1.449946 2.171254 ESP Fit Center 2015 is at 0.094113 -1.559919 2.171254 ESP Fit Center 2016 is at 0.504537 -1.449946 2.171254 ESP Fit Center 2017 is at 0.804989 -1.149495 2.171254 ESP Fit Center 2018 is at -0.825140 -1.510416 1.994452 ESP Fit Center 2019 is at -0.505887 -1.778301 1.994452 ESP Fit Center 2020 is at -0.114265 -1.920840 1.994452 ESP Fit Center 2021 is at 0.302491 -1.920840 1.994452 ESP Fit Center 2022 is at 0.694113 -1.778301 1.994452 ESP Fit Center 2023 is at 1.013366 -1.510416 1.994452 ESP Fit Center 2024 is at -0.795526 -1.999402 1.754498 ESP Fit Center 2025 is at -0.422502 -2.192687 1.754498 ESP Fit Center 2026 is at 0.803851 -2.108803 1.754498 ESP Fit Center 2027 is at -0.825140 -2.331264 -1.626699 ESP Fit Center 2028 is at -1.102569 -1.712644 -1.922515 ESP Fit Center 2029 is at -0.795526 -1.999402 -1.922515 ESP Fit Center 2030 is at -0.422502 -2.192687 -1.922515 ESP Fit Center 2031 is at -0.114265 0.442699 -2.162470 ESP Fit Center 2032 is at -0.825140 -1.510416 -2.162470 ESP Fit Center 2033 is at -0.505887 -1.778301 -2.162470 ESP Fit Center 2034 is at -0.114265 -1.920840 -2.162470 ESP Fit Center 2035 is at 0.302491 -1.920840 -2.162470 ESP Fit Center 2036 is at 0.094113 0.081778 -2.339271 ESP Fit Center 2037 is at -0.316311 -0.028195 -2.339271 ESP Fit Center 2038 is at -0.726735 -0.739071 -2.339271 ESP Fit Center 2039 is at -0.616763 -1.149495 -2.339271 ESP Fit Center 2040 is at -0.316311 -1.449946 -2.339271 ESP Fit Center 2041 is at 0.094113 -1.559919 -2.339271 ESP Fit Center 2042 is at 0.504537 -1.449946 -2.339271 ESP Fit Center 2043 is at 0.804989 -1.149495 -2.339271 ESP Fit Center 2044 is at 0.510869 -0.739071 -2.447547 ESP Fit Center 2045 is at 0.302491 -0.378150 -2.447547 ESP Fit Center 2046 is at -0.114265 -0.378150 -2.447547 ESP Fit Center 2047 is at -0.322643 -0.739071 -2.447547 ESP Fit Center 2048 is at -0.114265 -1.099992 -2.447547 ESP Fit Center 2049 is at 0.302491 -1.099992 -2.447547 ESP Fit Center 2050 is at 0.094113 -0.739071 -2.484009 ESP Fit Center 2051 is at -1.131042 -0.206404 2.375215 ESP Fit Center 2052 is at -0.714286 -0.206404 2.338753 ESP Fit Center 2053 is at -0.922664 0.154517 2.338753 ESP Fit Center 2054 is at -1.339420 0.154517 2.338753 ESP Fit Center 2055 is at -1.547798 -0.206404 2.338753 ESP Fit Center 2056 is at -1.339420 -0.567325 2.338753 ESP Fit Center 2057 is at -0.922664 -0.567325 2.338753 ESP Fit Center 2058 is at -0.310194 -0.206404 2.230477 ESP Fit Center 2059 is at -0.420166 0.204020 2.230477 ESP Fit Center 2060 is at -0.720618 0.504472 2.230477 ESP Fit Center 2061 is at -1.841917 0.204020 2.230477 ESP Fit Center 2062 is at -1.131042 -1.027252 2.230477 ESP Fit Center 2063 is at -0.720618 -0.917279 2.230477 ESP Fit Center 2064 is at -0.211789 0.564941 2.053676 ESP Fit Center 2065 is at -0.922664 -1.388173 2.053676 ESP Fit Center 2066 is at -0.211789 0.564941 -2.103246 ESP Fit Center 2067 is at -2.258673 0.204020 -2.103246 ESP Fit Center 2068 is at -1.339420 -1.388173 -2.103246 ESP Fit Center 2069 is at -0.420166 0.204020 -2.280048 ESP Fit Center 2070 is at -0.720618 0.504472 -2.280048 ESP Fit Center 2071 is at -1.841917 0.204020 -2.280048 ESP Fit Center 2072 is at -1.951890 -0.206404 -2.280048 ESP Fit Center 2073 is at -1.841917 -0.616828 -2.280048 ESP Fit Center 2074 is at -1.541466 -0.917279 -2.280048 ESP Fit Center 2075 is at -1.131042 -1.027252 -2.280048 ESP Fit Center 2076 is at -0.714286 -0.206404 -2.388324 ESP Fit Center 2077 is at -0.922664 0.154517 -2.388324 ESP Fit Center 2078 is at -1.339420 0.154517 -2.388324 ESP Fit Center 2079 is at -1.547798 -0.206404 -2.388324 ESP Fit Center 2080 is at -1.339420 -0.567325 -2.388324 ESP Fit Center 2081 is at -0.922664 -0.567325 -2.388324 ESP Fit Center 2082 is at -1.131042 -0.206404 -2.424785 ESP Fit Center 2083 is at 4.476114 1.204430 -0.035587 ESP Fit Center 2084 is at 5.006225 0.473849 -0.441403 ESP Fit Center 2085 is at 4.867784 0.869491 -0.441403 ESP Fit Center 2086 is at 4.644776 1.224407 -0.441403 ESP Fit Center 2087 is at 4.348382 1.520801 -0.441403 ESP Fit Center 2088 is at 5.101295 0.057321 -0.868644 ESP Fit Center 2089 is at 5.056407 0.470064 -0.868644 ESP Fit Center 2090 is at 4.923840 0.863508 -0.868644 ESP Fit Center 2091 is at 4.709794 1.219255 -0.868644 ESP Fit Center 2092 is at 4.424277 1.520672 -0.868644 ESP Fit Center 2093 is at 4.923840 -0.748866 -0.868644 ESP Fit Center 2094 is at 5.056407 -0.355423 -0.868644 ESP Fit Center 2095 is at 5.053157 0.057321 -1.295884 ESP Fit Center 2096 is at 5.006225 0.473849 -1.295884 ESP Fit Center 2097 is at 4.867784 0.869491 -1.295884 ESP Fit Center 2098 is at 4.644776 1.224407 -1.295884 ESP Fit Center 2099 is at 4.348382 1.520801 -1.295884 ESP Fit Center 2100 is at 4.867784 -0.754850 -1.295884 ESP Fit Center 2101 is at 5.006225 -0.359208 -1.295884 ESP Fit Center 2102 is at 4.911156 0.057321 -1.701700 ESP Fit Center 2103 is at 4.860889 0.471303 -1.701700 ESP Fit Center 2104 is at 4.713011 0.861227 -1.701700 ESP Fit Center 2105 is at 4.476114 1.204430 -1.701700 ESP Fit Center 2106 is at 4.163968 1.480968 -1.701700 ESP Fit Center 2107 is at 3.794712 1.674768 -1.701700 ESP Fit Center 2108 is at 4.713011 -0.746585 -1.701700 ESP Fit Center 2109 is at 4.860889 -0.356662 -1.701700 ESP Fit Center 2110 is at 4.682412 0.057321 -2.065744 ESP Fit Center 2111 is at 4.621606 0.480234 -2.065744 ESP Fit Center 2112 is at 4.444115 0.868885 -2.065744 ESP Fit Center 2113 is at 4.164318 1.191789 -2.065744 ESP Fit Center 2114 is at 3.804882 1.422784 -2.065744 ESP Fit Center 2115 is at 3.394926 1.543158 -2.065744 ESP Fit Center 2116 is at 4.444115 -0.754244 -2.065744 ESP Fit Center 2117 is at 4.621606 -0.365593 -2.065744 ESP Fit Center 2118 is at 4.378396 0.057321 -2.369760 ESP Fit Center 2119 is at 4.306202 0.466753 -2.369760 ESP Fit Center 2120 is at 4.098327 0.826802 -2.369760 ESP Fit Center 2121 is at 3.779846 1.094040 -2.369760 ESP Fit Center 2122 is at 3.389170 1.236234 -2.369760 ESP Fit Center 2123 is at 2.973421 1.236234 -2.369760 ESP Fit Center 2124 is at 2.582745 1.094040 -2.369760 ESP Fit Center 2125 is at 2.264263 0.826802 -2.369760 ESP Fit Center 2126 is at 2.056389 0.466753 -2.369760 ESP Fit Center 2127 is at 4.098327 -0.712161 -2.369760 ESP Fit Center 2128 is at 4.306202 -0.352112 -2.369760 ESP Fit Center 2129 is at 4.014352 0.057321 -2.598504 ESP Fit Center 2130 is at 3.902744 0.473849 -2.598504 ESP Fit Center 2131 is at 3.597824 0.778769 -2.598504 ESP Fit Center 2132 is at 3.181295 0.890377 -2.598504 ESP Fit Center 2133 is at 2.764767 0.778769 -2.598504 ESP Fit Center 2134 is at 2.459847 0.473849 -2.598504 ESP Fit Center 2135 is at 2.348239 0.057321 -2.598504 ESP Fit Center 2136 is at 2.459847 -0.359208 -2.598504 ESP Fit Center 2137 is at 3.597824 -0.664128 -2.598504 ESP Fit Center 2138 is at 3.902744 -0.359208 -2.598504 ESP Fit Center 2139 is at 3.608536 0.057321 -2.740505 ESP Fit Center 2140 is at 3.394915 0.427321 -2.740505 ESP Fit Center 2141 is at 2.967675 0.427321 -2.740505 ESP Fit Center 2142 is at 2.754055 0.057321 -2.740505 ESP Fit Center 2143 is at 2.967675 -0.312680 -2.740505 ESP Fit Center 2144 is at 3.394915 -0.312680 -2.740505 ESP Fit Center 2145 is at 3.181295 0.057321 -2.788644 ESP Fit Center 2146 is at 5.150208 -0.599430 2.842964 ESP Fit Center 2147 is at 5.038600 -0.182902 2.842964 ESP Fit Center 2148 is at 4.733680 0.122018 2.842964 ESP Fit Center 2149 is at 5.038600 -1.015959 2.842964 ESP Fit Center 2150 is at 5.514252 -0.599430 2.614221 ESP Fit Center 2151 is at 5.442058 -0.189998 2.614221 ESP Fit Center 2152 is at 5.234184 0.170051 2.614221 ESP Fit Center 2153 is at 4.915702 0.437289 2.614221 ESP Fit Center 2154 is at 4.915702 -1.636150 2.614221 ESP Fit Center 2155 is at 5.234184 -1.368912 2.614221 ESP Fit Center 2156 is at 5.442058 -1.008863 2.614221 ESP Fit Center 2157 is at 5.818268 -0.599430 2.310205 ESP Fit Center 2158 is at 5.757462 -0.176517 2.310205 ESP Fit Center 2159 is at 5.579971 0.212134 2.310205 ESP Fit Center 2160 is at 5.300174 0.535038 2.310205 ESP Fit Center 2161 is at 4.940738 0.766033 2.310205 ESP Fit Center 2162 is at 4.940738 -1.964894 2.310205 ESP Fit Center 2163 is at 5.300174 -1.733898 2.310205 ESP Fit Center 2164 is at 5.579971 -1.410995 2.310205 ESP Fit Center 2165 is at 5.757462 -1.022344 2.310205 ESP Fit Center 2166 is at 6.047012 -0.599430 1.946161 ESP Fit Center 2167 is at 5.996745 -0.185448 1.946161 ESP Fit Center 2168 is at 5.848867 0.204476 1.946161 ESP Fit Center 2169 is at 5.611971 0.547679 1.946161 ESP Fit Center 2170 is at 5.299824 0.824217 1.946161 ESP Fit Center 2171 is at 4.930569 1.018017 1.946161 ESP Fit Center 2172 is at 5.299824 -2.023077 1.946161 ESP Fit Center 2173 is at 5.611971 -1.746540 1.946161 ESP Fit Center 2174 is at 5.848867 -1.403336 1.946161 ESP Fit Center 2175 is at 5.996745 -1.013413 1.946161 ESP Fit Center 2176 is at 6.189013 -0.599430 1.540344 ESP Fit Center 2177 is at 6.142082 -0.182902 1.540344 ESP Fit Center 2178 is at 6.003641 0.212740 1.540344 ESP Fit Center 2179 is at 5.780632 0.567656 1.540344 ESP Fit Center 2180 is at 5.484238 0.864050 1.540344 ESP Fit Center 2181 is at 5.129322 1.087059 1.540344 ESP Fit Center 2182 is at 4.733680 1.225500 1.540344 ESP Fit Center 2183 is at 5.129322 -2.285919 1.540344 ESP Fit Center 2184 is at 5.484238 -2.062911 1.540344 ESP Fit Center 2185 is at 5.780632 -1.766517 1.540344 ESP Fit Center 2186 is at 6.003641 -1.411601 1.540344 ESP Fit Center 2187 is at 6.142082 -1.015959 1.540344 ESP Fit Center 2188 is at 6.237152 -0.599430 1.113104 ESP Fit Center 2189 is at 6.192263 -0.186687 1.113104 ESP Fit Center 2190 is at 6.059696 0.206757 1.113104 ESP Fit Center 2191 is at 5.845650 0.562504 1.113104 ESP Fit Center 2192 is at 5.560133 0.863921 1.113104 ESP Fit Center 2193 is at 5.216496 1.096913 1.113104 ESP Fit Center 2194 is at 4.830806 1.250586 1.113104 ESP Fit Center 2195 is at 5.216496 -2.295773 1.113104 ESP Fit Center 2196 is at 5.560133 -2.062782 1.113104 ESP Fit Center 2197 is at 5.845650 -1.761365 1.113104 ESP Fit Center 2198 is at 6.059696 -1.405617 1.113104 ESP Fit Center 2199 is at 6.192263 -1.012174 1.113104 ESP Fit Center 2200 is at 6.189013 -0.599430 0.685864 ESP Fit Center 2201 is at 6.142082 -0.182902 0.685864 ESP Fit Center 2202 is at 6.003641 0.212740 0.685864 ESP Fit Center 2203 is at 5.780632 0.567656 0.685864 ESP Fit Center 2204 is at 5.484238 0.864050 0.685864 ESP Fit Center 2205 is at 5.129322 1.087059 0.685864 ESP Fit Center 2206 is at 4.733680 1.225500 0.685864 ESP Fit Center 2207 is at 5.129322 -2.285919 0.685864 ESP Fit Center 2208 is at 5.484238 -2.062911 0.685864 ESP Fit Center 2209 is at 5.780632 -1.766517 0.685864 ESP Fit Center 2210 is at 6.003641 -1.411601 0.685864 ESP Fit Center 2211 is at 6.142082 -1.015959 0.685864 ESP Fit Center 2212 is at 6.047012 -0.599430 0.280047 ESP Fit Center 2213 is at 5.996745 -0.185448 0.280047 ESP Fit Center 2214 is at 5.848867 0.204476 0.280047 ESP Fit Center 2215 is at 5.611971 0.547679 0.280047 ESP Fit Center 2216 is at 5.299824 0.824217 0.280047 ESP Fit Center 2217 is at 4.930569 1.018017 0.280047 ESP Fit Center 2218 is at 4.525663 1.117817 0.280047 ESP Fit Center 2219 is at 4.930569 -2.216878 0.280047 ESP Fit Center 2220 is at 5.299824 -2.023077 0.280047 ESP Fit Center 2221 is at 5.611971 -1.746540 0.280047 ESP Fit Center 2222 is at 5.848867 -1.403336 0.280047 ESP Fit Center 2223 is at 5.996745 -1.013413 0.280047 ESP Fit Center 2224 is at 5.818268 -0.599430 -0.083996 ESP Fit Center 2225 is at 5.757462 -0.176517 -0.083996 ESP Fit Center 2226 is at 5.579971 0.212134 -0.083996 ESP Fit Center 2227 is at 5.300174 0.535038 -0.083996 ESP Fit Center 2228 is at 4.940738 0.766033 -0.083996 ESP Fit Center 2229 is at 5.300174 -1.733898 -0.083996 ESP Fit Center 2230 is at 5.579971 -1.410995 -0.083996 ESP Fit Center 2231 is at 5.757462 -1.022344 -0.083996 ESP Fit Center 2232 is at 5.514252 -0.599430 -0.388012 ESP Fit Center 2233 is at 5.442058 -0.189998 -0.388012 ESP Fit Center 2234 is at 5.234184 0.170051 -0.388012 ESP Fit Center 2235 is at 5.234184 -1.368912 -0.388012 ESP Fit Center 2236 is at 5.442058 -1.008863 -0.388012 ESP Fit Center 2237 is at 5.150208 -0.599430 -0.616756 ESP Fit Center 2238 is at 5.038600 -1.015959 -0.616756 ESP Fit Center 2239 is at 2.858632 -0.016100 3.819672 ESP Fit Center 2240 is at 3.285873 -0.016100 3.771534 ESP Fit Center 2241 is at 3.072253 0.353901 3.771534 ESP Fit Center 2242 is at 2.645012 0.353901 3.771534 ESP Fit Center 2243 is at 2.431392 -0.016100 3.771534 ESP Fit Center 2244 is at 2.645012 -0.386101 3.771534 ESP Fit Center 2245 is at 3.072253 -0.386101 3.771534 ESP Fit Center 2246 is at 3.691689 -0.016100 3.629532 ESP Fit Center 2247 is at 3.580081 0.400429 3.629532 ESP Fit Center 2248 is at 3.275161 0.705349 3.629532 ESP Fit Center 2249 is at 2.858632 0.816957 3.629532 ESP Fit Center 2250 is at 2.442104 0.705349 3.629532 ESP Fit Center 2251 is at 2.137184 0.400429 3.629532 ESP Fit Center 2252 is at 2.025576 -0.016100 3.629532 ESP Fit Center 2253 is at 2.137184 -0.432628 3.629532 ESP Fit Center 2254 is at 2.442104 -0.737548 3.629532 ESP Fit Center 2255 is at 2.858632 -0.849157 3.629532 ESP Fit Center 2256 is at 3.275161 -0.737548 3.629532 ESP Fit Center 2257 is at 3.580081 -0.432628 3.629532 ESP Fit Center 2258 is at 4.055733 -0.016100 3.400789 ESP Fit Center 2259 is at 3.983539 0.393333 3.400789 ESP Fit Center 2260 is at 3.775665 0.753382 3.400789 ESP Fit Center 2261 is at 3.457183 1.020620 3.400789 ESP Fit Center 2262 is at 3.066507 1.162814 3.400789 ESP Fit Center 2263 is at 2.650758 1.162814 3.400789 ESP Fit Center 2264 is at 2.260082 1.020620 3.400789 ESP Fit Center 2265 is at 1.941600 0.753382 3.400789 ESP Fit Center 2266 is at 1.733726 0.393333 3.400789 ESP Fit Center 2267 is at 1.661532 -0.016100 3.400789 ESP Fit Center 2268 is at 1.733726 -0.425532 3.400789 ESP Fit Center 2269 is at 1.941600 -0.785581 3.400789 ESP Fit Center 2270 is at 2.260082 -1.052819 3.400789 ESP Fit Center 2271 is at 4.298943 0.406814 3.096773 ESP Fit Center 2272 is at 4.121452 0.795465 3.096773 ESP Fit Center 2273 is at 3.841655 1.118368 3.096773 ESP Fit Center 2274 is at 3.482219 1.349364 3.096773 ESP Fit Center 2275 is at 3.072264 1.469738 3.096773 ESP Fit Center 2276 is at 2.645001 1.469738 3.096773 ESP Fit Center 2277 is at 2.235046 1.349364 3.096773 ESP Fit Center 2278 is at 1.875610 1.118368 3.096773 ESP Fit Center 2279 is at 1.595813 0.795465 3.096773 ESP Fit Center 2280 is at 1.418322 0.406814 3.096773 ESP Fit Center 2281 is at 1.357516 -0.016100 3.096773 ESP Fit Center 2282 is at 1.418322 -0.439013 3.096773 ESP Fit Center 2283 is at 1.595813 -0.827665 3.096773 ESP Fit Center 2284 is at 1.875610 -1.150568 3.096773 ESP Fit Center 2285 is at 4.390348 0.787806 2.732729 ESP Fit Center 2286 is at 4.153451 1.131010 2.732729 ESP Fit Center 2287 is at 3.841305 1.407547 2.732729 ESP Fit Center 2288 is at 3.472049 1.601348 2.732729 ESP Fit Center 2289 is at 3.067144 1.701148 2.732729 ESP Fit Center 2290 is at 2.650121 1.701148 2.732729 ESP Fit Center 2291 is at 2.245216 1.601348 2.732729 ESP Fit Center 2292 is at 1.875960 1.407547 2.732729 ESP Fit Center 2293 is at 1.563813 1.131010 2.732729 ESP Fit Center 2294 is at 1.326917 0.787806 2.732729 ESP Fit Center 2295 is at 1.179039 0.397883 2.732729 ESP Fit Center 2296 is at 1.128772 -0.016100 2.732729 ESP Fit Center 2297 is at 1.179039 -0.430082 2.732729 ESP Fit Center 2298 is at 1.326917 -0.820006 2.732729 ESP Fit Center 2299 is at 4.322113 1.150987 2.326912 ESP Fit Center 2300 is at 4.025719 1.447381 2.326912 ESP Fit Center 2301 is at 3.670803 1.670389 2.326912 ESP Fit Center 2302 is at 3.275161 1.808830 2.326912 ESP Fit Center 2303 is at 2.858632 1.855762 2.326912 ESP Fit Center 2304 is at 2.442104 1.808830 2.326912 ESP Fit Center 2305 is at 2.046462 1.670389 2.326912 ESP Fit Center 2306 is at 1.691546 1.447381 2.326912 ESP Fit Center 2307 is at 1.395152 1.150987 2.326912 ESP Fit Center 2308 is at 1.172143 0.796071 2.326912 ESP Fit Center 2309 is at 1.033702 0.400429 2.326912 ESP Fit Center 2310 is at 0.986771 -0.016100 2.326912 ESP Fit Center 2311 is at 1.033702 -0.432628 2.326912 ESP Fit Center 2312 is at 4.101614 1.447251 1.899672 ESP Fit Center 2313 is at 3.757977 1.680243 1.899672 ESP Fit Center 2314 is at 3.372287 1.833916 1.899672 ESP Fit Center 2315 is at 2.962579 1.901084 1.899672 ESP Fit Center 2316 is at 3.670803 1.670389 1.472432 ESP Fit Center 2317 is at 0.185004 3.691538 1.657700 ESP Fit Center 2318 is at -0.231524 3.803147 1.657700 ESP Fit Center 2319 is at -0.648053 3.691538 1.657700 ESP Fit Center 2320 is at 0.685508 3.739571 1.428956 ESP Fit Center 2321 is at 0.367026 4.006809 1.428956 ESP Fit Center 2322 is at -0.023650 4.149004 1.428956 ESP Fit Center 2323 is at -0.439399 4.149004 1.428956 ESP Fit Center 2324 is at -0.830075 4.006809 1.428956 ESP Fit Center 2325 is at -1.148556 3.739571 1.428956 ESP Fit Center 2326 is at -1.356431 3.379523 1.428956 ESP Fit Center 2327 is at 1.031295 3.781655 1.124940 ESP Fit Center 2328 is at 0.751498 4.104558 1.124940 ESP Fit Center 2329 is at 0.392062 4.335554 1.124940 ESP Fit Center 2330 is at -0.017893 4.455927 1.124940 ESP Fit Center 2331 is at -0.445156 4.455927 1.124940 ESP Fit Center 2332 is at -0.855111 4.335554 1.124940 ESP Fit Center 2333 is at -1.214547 4.104558 1.124940 ESP Fit Center 2334 is at -1.494344 3.781655 1.124940 ESP Fit Center 2335 is at 1.063295 4.117200 0.760896 ESP Fit Center 2336 is at 0.751148 4.393737 0.760896 ESP Fit Center 2337 is at 0.381893 4.587538 0.760896 ESP Fit Center 2338 is at -0.023013 4.687338 0.760896 ESP Fit Center 2339 is at -0.440036 4.687338 0.760896 ESP Fit Center 2340 is at -0.844941 4.587538 0.760896 ESP Fit Center 2341 is at -1.214197 4.393737 0.760896 ESP Fit Center 2342 is at -1.526343 4.117200 0.760896 ESP Fit Center 2343 is at 1.231956 4.137177 0.355080 ESP Fit Center 2344 is at 0.935562 4.433570 0.355080 ESP Fit Center 2345 is at 0.580646 4.656579 0.355080 ESP Fit Center 2346 is at 0.185004 4.795020 0.355080 ESP Fit Center 2347 is at -0.231524 4.841952 0.355080 ESP Fit Center 2348 is at -0.648053 4.795020 0.355080 ESP Fit Center 2349 is at -1.043695 4.656579 0.355080 ESP Fit Center 2350 is at -1.398611 4.433570 0.355080 ESP Fit Center 2351 is at -1.695005 4.137177 0.355080 ESP Fit Center 2352 is at 1.011457 4.433441 -0.072160 ESP Fit Center 2353 is at 0.667820 4.666433 -0.072160 ESP Fit Center 2354 is at 0.282130 4.820106 -0.072160 ESP Fit Center 2355 is at -0.127578 4.887274 -0.072160 ESP Fit Center 2356 is at -0.542146 4.864797 -0.072160 ESP Fit Center 2357 is at -0.942190 4.753725 -0.072160 ESP Fit Center 2358 is at -1.309004 4.559253 -0.072160 ESP Fit Center 2359 is at -1.625436 4.290473 -0.072160 ESP Fit Center 2360 is at 0.935562 4.433570 -0.499401 ESP Fit Center 2361 is at 0.580646 4.656579 -0.499401 ESP Fit Center 2362 is at 0.185004 4.795020 -0.499401 ESP Fit Center 2363 is at -0.231524 4.841952 -0.499401 ESP Fit Center 2364 is at -0.648053 4.795020 -0.499401 ESP Fit Center 2365 is at -1.043695 4.656579 -0.499401 ESP Fit Center 2366 is at -1.398611 4.433570 -0.499401 ESP Fit Center 2367 is at -1.695005 4.137177 -0.499401 ESP Fit Center 2368 is at 1.063295 4.117200 -0.905217 ESP Fit Center 2369 is at 0.751148 4.393737 -0.905217 ESP Fit Center 2370 is at 0.381893 4.587538 -0.905217 ESP Fit Center 2371 is at -0.023013 4.687338 -0.905217 ESP Fit Center 2372 is at -0.440036 4.687338 -0.905217 ESP Fit Center 2373 is at -0.844941 4.587538 -0.905217 ESP Fit Center 2374 is at -1.214197 4.393737 -0.905217 ESP Fit Center 2375 is at -1.526343 4.117200 -0.905217 ESP Fit Center 2376 is at -1.763240 3.773996 -0.905217 ESP Fit Center 2377 is at 1.031295 3.781655 -1.269261 ESP Fit Center 2378 is at 0.751498 4.104558 -1.269261 ESP Fit Center 2379 is at 0.392062 4.335554 -1.269261 ESP Fit Center 2380 is at -0.017893 4.455927 -1.269261 ESP Fit Center 2381 is at -0.445156 4.455927 -1.269261 ESP Fit Center 2382 is at -0.855111 4.335554 -1.269261 ESP Fit Center 2383 is at -1.214547 4.104558 -1.269261 ESP Fit Center 2384 is at -1.494344 3.781655 -1.269261 ESP Fit Center 2385 is at 0.685508 3.739571 -1.573277 ESP Fit Center 2386 is at 0.367026 4.006809 -1.573277 ESP Fit Center 2387 is at -0.023650 4.149004 -1.573277 ESP Fit Center 2388 is at -0.439399 4.149004 -1.573277 ESP Fit Center 2389 is at -0.830075 4.006809 -1.573277 ESP Fit Center 2390 is at -1.148556 3.739571 -1.573277 ESP Fit Center 2391 is at -1.356431 3.379523 -1.573277 ESP Fit Center 2392 is at 0.185004 3.691538 -1.802021 ESP Fit Center 2393 is at -0.231524 3.803147 -1.802021 ESP Fit Center 2394 is at -0.648053 3.691538 -1.802021 ESP Fit Center 2395 is at -0.208327 -2.544330 1.642555 ESP Fit Center 2396 is at 0.208201 -2.655939 1.642555 ESP Fit Center 2397 is at 0.624729 -2.544330 1.642555 ESP Fit Center 2398 is at 0.929649 -2.239410 1.642555 ESP Fit Center 2399 is at -0.390349 -2.859601 1.413811 ESP Fit Center 2400 is at 0.000327 -3.001796 1.413811 ESP Fit Center 2401 is at 0.416075 -3.001796 1.413811 ESP Fit Center 2402 is at 0.806751 -2.859601 1.413811 ESP Fit Center 2403 is at 1.125233 -2.592363 1.413811 ESP Fit Center 2404 is at -0.415385 -3.188346 1.109795 ESP Fit Center 2405 is at -0.005430 -3.308719 1.109795 ESP Fit Center 2406 is at 0.421832 -3.308719 1.109795 ESP Fit Center 2407 is at 0.831787 -3.188346 1.109795 ESP Fit Center 2408 is at 1.191223 -2.957350 1.109795 ESP Fit Center 2409 is at -0.405216 -3.440329 0.745751 ESP Fit Center 2410 is at -0.000311 -3.540130 0.745751 ESP Fit Center 2411 is at 0.416713 -3.540130 0.745751 ESP Fit Center 2412 is at 0.821618 -3.440329 0.745751 ESP Fit Center 2413 is at 1.190874 -3.246529 0.745751 ESP Fit Center 2414 is at -0.208327 -3.647812 0.339935 ESP Fit Center 2415 is at 0.208201 -3.694744 0.339935 ESP Fit Center 2416 is at 0.624729 -3.647812 0.339935 ESP Fit Center 2417 is at 1.020371 -3.509371 0.339935 ESP Fit Center 2418 is at -0.102421 -3.717589 -0.087306 ESP Fit Center 2419 is at 0.312148 -3.740066 -0.087306 ESP Fit Center 2420 is at 0.721855 -3.672898 -0.087306 ESP Fit Center 2421 is at 1.107545 -3.519225 -0.087306 ESP Fit Center 2422 is at -0.208327 -3.647812 -0.514546 ESP Fit Center 2423 is at 0.208201 -3.694744 -0.514546 ESP Fit Center 2424 is at 0.624729 -3.647812 -0.514546 ESP Fit Center 2425 is at -0.405216 -3.440329 -0.920362 ESP Fit Center 2426 is at -0.000311 -3.540130 -0.920362 ESP Fit Center 2427 is at 0.416713 -3.540130 -0.920362 ESP Fit Center 2428 is at 0.821618 -3.440329 -0.920362 ESP Fit Center 2429 is at -0.415385 -3.188346 -1.284406 ESP Fit Center 2430 is at -0.005430 -3.308719 -1.284406 ESP Fit Center 2431 is at 0.421832 -3.308719 -1.284406 ESP Fit Center 2432 is at -0.708831 -2.592363 -1.588422 ESP Fit Center 2433 is at -0.390349 -2.859601 -1.588422 ESP Fit Center 2434 is at 0.000327 -3.001796 -1.588422 ESP Fit Center 2435 is at 0.416075 -3.001796 -1.588422 ESP Fit Center 2436 is at -0.208327 -2.544330 -1.817166 ESP Fit Center 2437 is at 0.208201 -2.655939 -1.817166 ESP Fit Center 2438 is at -2.402140 -1.037700 2.434933 ESP Fit Center 2439 is at -1.985384 -1.037700 2.398471 ESP Fit Center 2440 is at -2.193762 -0.676779 2.398471 ESP Fit Center 2441 is at -2.610518 -0.676779 2.398471 ESP Fit Center 2442 is at -2.818896 -1.037700 2.398471 ESP Fit Center 2443 is at -2.610518 -1.398621 2.398471 ESP Fit Center 2444 is at -2.193762 -1.398621 2.398471 ESP Fit Center 2445 is at -1.581292 -1.037700 2.290195 ESP Fit Center 2446 is at -1.691264 -0.627275 2.290195 ESP Fit Center 2447 is at -1.991716 -0.326824 2.290195 ESP Fit Center 2448 is at -2.402140 -0.216851 2.290195 ESP Fit Center 2449 is at -3.222988 -1.037700 2.290195 ESP Fit Center 2450 is at -3.113015 -1.448124 2.290195 ESP Fit Center 2451 is at -2.812564 -1.748575 2.290195 ESP Fit Center 2452 is at -2.402140 -1.858548 2.290195 ESP Fit Center 2453 is at -1.991716 -1.748575 2.290195 ESP Fit Center 2454 is at -1.691264 -1.448124 2.290195 ESP Fit Center 2455 is at -2.193762 0.144070 2.113394 ESP Fit Center 2456 is at -3.529771 -1.448124 2.113394 ESP Fit Center 2457 is at -3.321393 -1.809045 2.113394 ESP Fit Center 2458 is at -1.482887 -1.809045 2.113394 ESP Fit Center 2459 is at -1.274509 -1.448124 2.113394 ESP Fit Center 2460 is at -3.598822 -2.011273 1.873439 ESP Fit Center 2461 is at -1.084035 -1.839257 1.873439 ESP Fit Center 2462 is at -3.938190 -2.047976 1.577623 ESP Fit Center 2463 is at -3.938190 -2.047976 -1.507758 ESP Fit Center 2464 is at -3.817113 -1.652309 -1.803574 ESP Fit Center 2465 is at -3.598822 -2.011273 -1.803574 ESP Fit Center 2466 is at -2.610518 0.144070 -2.043528 ESP Fit Center 2467 is at -3.002140 0.001531 -2.043528 ESP Fit Center 2468 is at -3.602140 -1.037700 -2.043528 ESP Fit Center 2469 is at -3.529771 -1.448124 -2.043528 ESP Fit Center 2470 is at -3.321393 -1.809045 -2.043528 ESP Fit Center 2471 is at -1.482887 -1.809045 -2.043528 ESP Fit Center 2472 is at -2.402140 -0.216851 -2.220330 ESP Fit Center 2473 is at -2.812564 -0.326824 -2.220330 ESP Fit Center 2474 is at -3.113015 -0.627275 -2.220330 ESP Fit Center 2475 is at -3.222988 -1.037700 -2.220330 ESP Fit Center 2476 is at -3.113015 -1.448124 -2.220330 ESP Fit Center 2477 is at -2.812564 -1.748575 -2.220330 ESP Fit Center 2478 is at -2.402140 -1.858548 -2.220330 ESP Fit Center 2479 is at -1.991716 -1.748575 -2.220330 ESP Fit Center 2480 is at -1.691264 -1.448124 -2.220330 ESP Fit Center 2481 is at -1.985384 -1.037700 -2.328606 ESP Fit Center 2482 is at -2.193762 -0.676779 -2.328606 ESP Fit Center 2483 is at -2.610518 -0.676779 -2.328606 ESP Fit Center 2484 is at -2.818896 -1.037700 -2.328606 ESP Fit Center 2485 is at -2.610518 -1.398621 -2.328606 ESP Fit Center 2486 is at -2.193762 -1.398621 -2.328606 ESP Fit Center 2487 is at -2.402140 -1.037700 -2.365067 ESP Fit Center 2488 is at 3.024043 -1.730169 3.434980 ESP Fit Center 2489 is at 3.451283 -1.730169 3.386841 ESP Fit Center 2490 is at 2.596803 -1.730169 3.386841 ESP Fit Center 2491 is at 2.810423 -2.100169 3.386841 ESP Fit Center 2492 is at 3.237663 -2.100169 3.386841 ESP Fit Center 2493 is at 2.190986 -1.730169 3.244840 ESP Fit Center 2494 is at 2.302595 -2.146697 3.244840 ESP Fit Center 2495 is at 2.607515 -2.451617 3.244840 ESP Fit Center 2496 is at 3.024043 -2.563225 3.244840 ESP Fit Center 2497 is at 3.440571 -2.451617 3.244840 ESP Fit Center 2498 is at 3.745491 -2.146697 3.244840 ESP Fit Center 2499 is at 1.826943 -1.730169 3.016096 ESP Fit Center 2500 is at 1.899137 -2.139601 3.016096 ESP Fit Center 2501 is at 2.107011 -2.499650 3.016096 ESP Fit Center 2502 is at 2.425493 -2.766888 3.016096 ESP Fit Center 2503 is at 2.816169 -2.909082 3.016096 ESP Fit Center 2504 is at 3.231917 -2.909082 3.016096 ESP Fit Center 2505 is at 3.622593 -2.766888 3.016096 ESP Fit Center 2506 is at 3.941075 -2.499650 3.016096 ESP Fit Center 2507 is at 4.148949 -2.139601 3.016096 ESP Fit Center 2508 is at 1.522927 -1.730169 2.712080 ESP Fit Center 2509 is at 1.583732 -2.153082 2.712080 ESP Fit Center 2510 is at 1.761224 -2.541733 2.712080 ESP Fit Center 2511 is at 2.041021 -2.864637 2.712080 ESP Fit Center 2512 is at 2.400457 -3.095632 2.712080 ESP Fit Center 2513 is at 2.810412 -3.216006 2.712080 ESP Fit Center 2514 is at 3.237674 -3.216006 2.712080 ESP Fit Center 2515 is at 3.647629 -3.095632 2.712080 ESP Fit Center 2516 is at 4.007065 -2.864637 2.712080 ESP Fit Center 2517 is at 4.286863 -2.541733 2.712080 ESP Fit Center 2518 is at 4.464354 -2.153082 2.712080 ESP Fit Center 2519 is at 1.294183 -1.730169 2.348037 ESP Fit Center 2520 is at 1.344449 -2.144151 2.348037 ESP Fit Center 2521 is at 1.492328 -2.534075 2.348037 ESP Fit Center 2522 is at 1.729224 -2.877278 2.348037 ESP Fit Center 2523 is at 2.041370 -3.153816 2.348037 ESP Fit Center 2524 is at 2.410626 -3.347616 2.348037 ESP Fit Center 2525 is at 2.815531 -3.447416 2.348037 ESP Fit Center 2526 is at 3.232555 -3.447416 2.348037 ESP Fit Center 2527 is at 3.637460 -3.347616 2.348037 ESP Fit Center 2528 is at 4.006716 -3.153816 2.348037 ESP Fit Center 2529 is at 4.318862 -2.877278 2.348037 ESP Fit Center 2530 is at 4.555758 -2.534075 2.348037 ESP Fit Center 2531 is at 1.152181 -1.730169 1.942220 ESP Fit Center 2532 is at 1.199113 -2.146697 1.942220 ESP Fit Center 2533 is at 1.337554 -2.542339 1.942220 ESP Fit Center 2534 is at 1.560563 -2.897255 1.942220 ESP Fit Center 2535 is at 1.856956 -3.193649 1.942220 ESP Fit Center 2536 is at 2.211873 -3.416658 1.942220 ESP Fit Center 2537 is at 2.607515 -3.555099 1.942220 ESP Fit Center 2538 is at 3.024043 -3.602030 1.942220 ESP Fit Center 2539 is at 3.440571 -3.555099 1.942220 ESP Fit Center 2540 is at 3.836213 -3.416658 1.942220 ESP Fit Center 2541 is at 4.191130 -3.193649 1.942220 ESP Fit Center 2542 is at 4.487523 -2.897255 1.942220 ESP Fit Center 2543 is at 4.710532 -2.542339 1.942220 ESP Fit Center 2544 is at 1.204549 -2.343228 1.514980 ESP Fit Center 2545 is at 1.378877 -2.720032 1.514980 ESP Fit Center 2546 is at 1.630132 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Center 2565 is at 3.232555 -3.447416 0.681923 ESP Fit Center 2566 is at 3.637460 -3.347616 0.681923 ESP Fit Center 2567 is at 4.318862 -2.877278 0.681923 ESP Fit Center 2568 is at 3.202836 -3.438034 0.607638 ESP Fit Center 2569 is at 3.618585 -3.438034 0.607638 ESP Fit Center 2570 is at 4.009261 -3.295839 0.607638 ESP Fit Center 2571 is at 4.327743 -3.028601 0.607638 ESP Fit Center 2572 is at 4.535617 -2.668552 0.607638 ESP Fit Center 2573 is at 4.911827 -2.259120 0.303622 ESP Fit Center 2574 is at 3.197079 -3.744957 0.303622 ESP Fit Center 2575 is at 3.624342 -3.744957 0.303622 ESP Fit Center 2576 is at 4.034297 -3.624583 0.303622 ESP Fit Center 2577 is at 4.393733 -3.393588 0.303622 ESP Fit Center 2578 is at 4.673530 -3.070685 0.303622 ESP Fit Center 2579 is at 4.851021 -2.682033 0.303622 ESP Fit Center 2580 is at 5.140571 -2.259120 -0.060421 ESP Fit Center 2581 is at 3.202199 -3.976368 -0.060421 ESP Fit Center 2582 is at 3.619222 -3.976368 -0.060421 ESP Fit Center 2583 is at 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ESP Fit Center 2638 is at 4.393733 -1.124652 -2.090578 ESP Fit Center 2639 is at 3.197079 -3.744957 -2.090578 ESP Fit Center 2640 is at 3.624342 -3.744957 -2.090578 ESP Fit Center 2641 is at 4.034297 -3.624583 -2.090578 ESP Fit Center 2642 is at 4.393733 -3.393588 -2.090578 ESP Fit Center 2643 is at 4.673530 -3.070685 -2.090578 ESP Fit Center 2644 is at 4.851021 -2.682033 -2.090578 ESP Fit Center 2645 is at 4.607811 -2.259120 -2.394594 ESP Fit Center 2646 is at 4.535617 -1.849687 -2.394594 ESP Fit Center 2647 is at 4.327743 -1.489639 -2.394594 ESP Fit Center 2648 is at 4.009261 -1.222401 -2.394594 ESP Fit Center 2649 is at 3.202836 -3.438034 -2.394594 ESP Fit Center 2650 is at 3.618585 -3.438034 -2.394594 ESP Fit Center 2651 is at 4.009261 -3.295839 -2.394594 ESP Fit Center 2652 is at 4.327743 -3.028601 -2.394594 ESP Fit Center 2653 is at 4.535617 -2.668552 -2.394594 ESP Fit Center 2654 is at 4.243767 -2.259120 -2.623338 ESP Fit Center 2655 is at 4.132159 -1.842592 -2.623338 ESP Fit Center 2656 is at 3.827239 -1.537672 -2.623338 ESP Fit Center 2657 is at 3.410710 -3.092177 -2.623338 ESP Fit Center 2658 is at 3.827239 -2.980568 -2.623338 ESP Fit Center 2659 is at 4.132159 -2.675648 -2.623338 ESP Fit Center 2660 is at 3.837951 -2.259120 -2.765340 ESP Fit Center 2661 is at 3.624331 -1.889119 -2.765340 ESP Fit Center 2662 is at 3.197090 -2.629121 -2.765340 ESP Fit Center 2663 is at 3.624331 -2.629121 -2.765340 ESP Fit Center 2664 is at 3.410710 -2.259120 -2.813478 ESP Fit Center 2665 is at -4.431946 -1.310076 1.995595 ESP Fit Center 2666 is at -4.044020 -1.503240 1.995595 ESP Fit Center 2667 is at -4.990832 -1.184917 1.746489 ESP Fit Center 2668 is at -4.709551 -1.509533 1.746489 ESP Fit Center 2669 is at -4.348208 -1.741753 1.746489 ESP Fit Center 2670 is at -3.936079 -1.862765 1.746489 ESP Fit Center 2671 is at -5.496786 -0.576570 1.441010 ESP Fit Center 2672 is at -5.401070 -0.980428 1.441010 ESP Fit Center 2673 is at -5.214798 -1.351327 1.441010 ESP Fit Center 2674 is at -4.948012 -1.669270 1.441010 ESP Fit Center 2675 is at -4.615094 -1.917118 1.441010 ESP Fit Center 2676 is at -4.233992 -2.081510 1.441010 ESP Fit Center 2677 is at -5.682663 0.047850 1.089563 ESP Fit Center 2678 is at -5.726480 -0.369047 1.089563 ESP Fit Center 2679 is at -5.682663 -0.785945 1.089563 ESP Fit Center 2680 is at -5.553125 -1.184622 1.089563 ESP Fit Center 2681 is at -5.343528 -1.547654 1.089563 ESP Fit Center 2682 is at -5.063032 -1.859176 1.089563 ESP Fit Center 2683 is at -4.723897 -2.105572 1.089563 ESP Fit Center 2684 is at -4.340945 -2.276073 1.089563 ESP Fit Center 2685 is at -5.711803 0.455440 0.704114 ESP Fit Center 2686 is at -5.834406 0.051273 0.704114 ESP Fit Center 2687 is at -5.875804 -0.369047 0.704114 ESP Fit Center 2688 is at -5.834406 -0.789367 0.704114 ESP Fit Center 2689 is at -5.711803 -1.193535 0.704114 ESP Fit Center 2690 is at -5.512707 -1.566018 0.704114 ESP Fit Center 2691 is at -5.244769 -1.892501 0.704114 ESP Fit Center 2692 is at 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1.388916 ESP Fit Center 2837 is at -1.253442 -3.949246 1.388916 ESP Fit Center 2838 is at -0.951549 -3.664424 1.388916 ESP Fit Center 2839 is at -0.723478 -3.317659 1.388916 ESP Fit Center 2840 is at -0.581524 -2.927643 1.388916 ESP Fit Center 2841 is at -4.326064 -2.515404 1.037469 ESP Fit Center 2842 is at -4.282246 -2.932301 1.037469 ESP Fit Center 2843 is at -4.152708 -3.330978 1.037469 ESP Fit Center 2844 is at -3.943111 -3.694011 1.037469 ESP Fit Center 2845 is at -3.662616 -4.005533 1.037469 ESP Fit Center 2846 is at -3.323481 -4.251928 1.037469 ESP Fit Center 2847 is at -2.940529 -4.422430 1.037469 ESP Fit Center 2848 is at -2.530495 -4.509585 1.037469 ESP Fit Center 2849 is at -2.111301 -4.509585 1.037469 ESP Fit Center 2850 is at -1.701268 -4.422430 1.037469 ESP Fit Center 2851 is at -1.318315 -4.251928 1.037469 ESP Fit Center 2852 is at -0.979180 -4.005533 1.037469 ESP Fit Center 2853 is at -0.698685 -3.694011 1.037469 ESP Fit Center 2854 is at -0.489088 -3.330978 1.037469 ESP Fit Center 2855 is at -4.475388 -2.515404 0.652020 ESP Fit Center 2856 is at -4.433990 -2.935724 0.652020 ESP Fit Center 2857 is at -4.311387 -3.339891 0.652020 ESP Fit Center 2858 is at -4.112291 -3.712374 0.652020 ESP Fit Center 2859 is at -3.844352 -4.038858 0.652020 ESP Fit Center 2860 is at -3.517868 -4.306796 0.652020 ESP Fit Center 2861 is at -3.145386 -4.505893 0.652020 ESP Fit Center 2862 is at -2.741218 -4.628495 0.652020 ESP Fit Center 2863 is at -2.320898 -4.669893 0.652020 ESP Fit Center 2864 is at -1.900578 -4.628495 0.652020 ESP Fit Center 2865 is at -1.496411 -4.505893 0.652020 ESP Fit Center 2866 is at -1.123928 -4.306796 0.652020 ESP Fit Center 2867 is at -0.797444 -4.038858 0.652020 ESP Fit Center 2868 is at -0.529506 -3.712374 0.652020 ESP Fit Center 2869 is at -4.541243 -2.727421 0.245696 ESP Fit Center 2870 is at -4.460994 -3.143793 0.245696 ESP Fit Center 2871 is at -4.303396 -3.537453 0.245696 ESP Fit Center 2872 is at -4.074146 -3.894173 0.245696 ESP Fit Center 2873 is at -3.781529 -4.201061 0.245696 ESP Fit Center 2874 is at -3.436121 -4.447026 0.245696 ESP Fit Center 2875 is at -3.050405 -4.623176 0.245696 ESP Fit Center 2876 is at -2.638324 -4.723146 0.245696 ESP Fit Center 2877 is at -2.214769 -4.743322 0.245696 ESP Fit Center 2878 is at -1.795051 -4.682976 0.245696 ESP Fit Center 2879 is at -1.394338 -4.544288 0.245696 ESP Fit Center 2880 is at -1.027113 -4.332270 0.245696 ESP Fit Center 2881 is at -0.706650 -4.054587 0.245696 ESP Fit Center 2882 is at -0.444529 -3.721273 0.245696 ESP Fit Center 2883 is at -4.541243 -2.727421 -0.167666 ESP Fit Center 2884 is at -4.460994 -3.143793 -0.167666 ESP Fit Center 2885 is at -4.303396 -3.537453 -0.167666 ESP Fit Center 2886 is at -4.074146 -3.894173 -0.167666 ESP Fit Center 2887 is at -3.781529 -4.201061 -0.167666 ESP Fit Center 2888 is at -3.436121 -4.447026 -0.167666 ESP Fit Center 2889 is at -3.050405 -4.623176 -0.167666 ESP Fit Center 2890 is at -2.638324 -4.723146 -0.167666 ESP Fit Center 2891 is at -2.214769 -4.743322 -0.167666 ESP Fit Center 2892 is at -1.795051 -4.682976 -0.167666 ESP Fit Center 2893 is at -1.394338 -4.544288 -0.167666 ESP Fit Center 2894 is at -1.027113 -4.332270 -0.167666 ESP Fit Center 2895 is at -0.706650 -4.054587 -0.167666 ESP Fit Center 2896 is at -0.444529 -3.721273 -0.167666 ESP Fit Center 2897 is at -4.475388 -2.515404 -0.573990 ESP Fit Center 2898 is at -4.433990 -2.935724 -0.573990 ESP Fit Center 2899 is at -4.311387 -3.339891 -0.573990 ESP Fit Center 2900 is at -4.112291 -3.712374 -0.573990 ESP Fit Center 2901 is at -3.844352 -4.038858 -0.573990 ESP Fit Center 2902 is at -3.517868 -4.306796 -0.573990 ESP Fit Center 2903 is at -3.145386 -4.505893 -0.573990 ESP Fit Center 2904 is at -2.741218 -4.628495 -0.573990 ESP Fit Center 2905 is at -2.320898 -4.669893 -0.573990 ESP Fit Center 2906 is at -1.900578 -4.628495 -0.573990 ESP Fit Center 2907 is at -1.496411 -4.505893 -0.573990 ESP Fit Center 2908 is at -1.123928 -4.306796 -0.573990 ESP Fit Center 2909 is at -0.797444 -4.038858 -0.573990 ESP Fit Center 2910 is at -0.529506 -3.712374 -0.573990 ESP Fit Center 2911 is at -4.326064 -2.515404 -0.959439 ESP Fit Center 2912 is at -4.282246 -2.932301 -0.959439 ESP Fit Center 2913 is at -4.152708 -3.330978 -0.959439 ESP Fit Center 2914 is at -3.943111 -3.694011 -0.959439 ESP Fit Center 2915 is at -3.662616 -4.005533 -0.959439 ESP Fit Center 2916 is at -3.323481 -4.251928 -0.959439 ESP Fit Center 2917 is at -2.940529 -4.422430 -0.959439 ESP Fit Center 2918 is at -2.530495 -4.509585 -0.959439 ESP Fit Center 2919 is at -2.111301 -4.509585 -0.959439 ESP Fit Center 2920 is at -1.701268 -4.422430 -0.959439 ESP Fit Center 2921 is at -1.318315 -4.251928 -0.959439 ESP Fit Center 2922 is at -0.979180 -4.005533 -0.959439 ESP Fit Center 2923 is at -0.698685 -3.694011 -0.959439 ESP Fit Center 2924 is at -4.096370 -2.307881 -1.310887 ESP Fit Center 2925 is at -4.096370 -2.722927 -1.310887 ESP Fit Center 2926 is at -4.000654 -3.126785 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2.449537 ESP Fit Center 2999 is at -3.565122 1.413646 2.449537 ESP Fit Center 3000 is at -3.980871 1.413646 2.449537 ESP Fit Center 3001 is at -4.371547 1.271452 2.449537 ESP Fit Center 3002 is at -4.690029 1.004214 2.449537 ESP Fit Center 3003 is at -4.897903 0.644165 2.449537 ESP Fit Center 3004 is at -4.970097 0.234732 2.449537 ESP Fit Center 3005 is at -4.897903 -0.174700 2.449537 ESP Fit Center 3006 is at -4.690029 -0.534749 2.449537 ESP Fit Center 3007 is at -4.371547 -0.801987 2.449537 ESP Fit Center 3008 is at -3.980871 -0.944181 2.449537 ESP Fit Center 3009 is at -3.565122 -0.944181 2.449537 ESP Fit Center 3010 is at -3.174447 -0.801987 2.449537 ESP Fit Center 3011 is at -2.855965 -0.534749 2.449537 ESP Fit Center 3012 is at -2.648090 -0.174700 2.449537 ESP Fit Center 3013 is at -2.271880 0.234732 2.145521 ESP Fit Center 3014 is at -2.332686 0.657646 2.145521 ESP Fit Center 3015 is at -2.510177 1.046297 2.145521 ESP Fit Center 3016 is at -3.149410 1.600196 2.145521 ESP Fit Center 3017 is at -3.559366 1.720570 2.145521 ESP Fit Center 3018 is at -3.986628 1.720570 2.145521 ESP Fit Center 3019 is at -4.396583 1.600196 2.145521 ESP Fit Center 3020 is at -4.756019 1.369200 2.145521 ESP Fit Center 3021 is at -5.035816 1.046297 2.145521 ESP Fit Center 3022 is at -5.213307 0.657646 2.145521 ESP Fit Center 3023 is at -5.274113 0.234732 2.145521 ESP Fit Center 3024 is at -5.213307 -0.188181 2.145521 ESP Fit Center 3025 is at -5.035816 -0.576833 2.145521 ESP Fit Center 3026 is at -4.756019 -0.899736 2.145521 ESP Fit Center 3027 is at -4.396583 -1.130731 2.145521 ESP Fit Center 3028 is at -3.986628 -1.251105 2.145521 ESP Fit Center 3029 is at -3.559366 -1.251105 2.145521 ESP Fit Center 3030 is at -3.981508 1.951980 1.781478 ESP Fit Center 3031 is at -4.386414 1.852180 1.781478 ESP Fit Center 3032 is at -4.755669 1.658379 1.781478 ESP Fit Center 3033 is at -5.067816 1.381842 1.781478 ESP Fit Center 3034 is at -5.304712 1.038638 1.781478 ESP Fit Center 3035 is at 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0.521181 ESP Fit Center 3054 is at -5.236477 1.401819 0.521181 ESP Fit Center 3055 is at -5.459486 1.046903 0.521181 ESP Fit Center 3056 is at -4.755669 1.658379 0.115364 ESP Fit Center 3057 is at 2.153266 0.172879 -2.769172 ESP Fit Center 3058 is at 1.847874 -0.132513 -2.769172 ESP Fit Center 3059 is at 2.359252 -0.183900 -2.868077 ESP Fit Center 3060 is at 3.657747 -0.722019 3.826447 ESP Fit Center 3061 is at 3.024187 -1.087805 3.826447 ESP Fit Center 3062 is at 3.446561 -1.087805 3.826447 ESP Fit Center 3063 is at 4.069720 -0.722019 3.727541 ESP Fit Center 3064 is at 2.512809 -1.139192 3.727541 ESP Fit Center 3065 is at 2.818201 -1.444584 3.727541 ESP Fit Center 3066 is at 3.235374 -1.556365 3.727541 ESP Fit Center 3067 is at 3.652547 -1.444584 3.727541 ESP Fit Center 3068 is at 3.957939 -1.139192 3.727541 ESP Fit Center 3069 is at 4.461148 -0.722019 3.565406 ESP Fit Center 3070 is at 4.387225 -0.302780 3.565406 ESP Fit Center 3071 is at 2.296376 -1.509932 3.565406 ESP Fit Center 3072 is at 3.848261 -1.783571 3.565406 ESP Fit Center 3073 is at 4.174372 -1.509932 3.565406 ESP Fit Center 3074 is at 4.387225 -1.141259 3.565406 ESP Fit Center 3075 is at 4.822394 -0.722019 3.344034 ESP Fit Center 3076 is at 4.768318 -0.311268 3.344034 ESP Fit Center 3077 is at 4.609774 0.071491 3.344034 ESP Fit Center 3078 is at 1.702430 -1.132770 3.344034 ESP Fit Center 3079 is at 1.860974 -1.515529 3.344034 ESP Fit Center 3080 is at 4.357567 -1.844212 3.344034 ESP Fit Center 3081 is at 4.609774 -1.515529 3.344034 ESP Fit Center 3082 is at 4.768318 -1.132770 3.344034 ESP Fit Center 3083 is at 4.955493 0.106346 3.068876 ESP Fit Center 3084 is at 4.728038 0.468340 3.068876 ESP Fit Center 3085 is at 1.374053 -1.146854 3.068876 ESP Fit Center 3086 is at 1.515255 -1.550385 3.068876 ESP Fit Center 3087 is at 4.728038 -1.912379 3.068876 ESP Fit Center 3088 is at 4.955493 -1.550385 3.068876 ESP Fit Center 3089 is at 5.096695 -1.146854 3.068876 ESP Fit Center 3090 is at 4.816259 0.785352 2.746708 ESP Fit Center 3091 is at 1.060919 -0.929655 2.746708 ESP Fit Center 3092 is at 1.139509 -1.337421 2.746708 ESP Fit Center 3093 is at 4.816259 -2.229391 2.746708 ESP Fit Center 3094 is at 5.072963 -1.902966 2.746708 ESP Fit Center 3095 is at 4.781739 1.120867 2.385462 ESP Fit Center 3096 is at 0.974739 -1.544823 2.385462 ESP Fit Center 3097 is at 5.078261 -2.268385 2.385462 ESP Fit Center 3098 is at 4.639856 1.427701 1.994034 ESP Fit Center 3099 is at 4.266869 1.629552 1.994034 ESP Fit Center 3100 is at 4.974533 -2.611250 1.994034 ESP Fit Center 3101 is at 4.446057 1.654080 1.582061 ESP Fit Center 3102 is at 4.059448 1.814219 1.582061 ESP Fit Center 3103 is at 5.121057 -2.607702 1.582061 ESP Fit Center 3104 is at 4.525218 1.649964 1.159688 ESP Fit Center 3105 is at 4.872183 -2.869310 1.159688 ESP Fit Center 3106 is at 5.180782 -2.594287 1.159688 ESP Fit Center 3107 is at 4.446057 1.654080 0.737315 ESP Fit Center 3108 is at 4.802855 -2.879472 0.737315 ESP Fit Center 3109 is at 5.121057 -2.607702 0.737315 ESP Fit Center 3110 is at 4.639856 1.427701 0.325342 ESP Fit Center 3111 is at 1.528428 -3.442577 0.922473 ESP Fit Center 3112 is at 1.923700 -3.613081 0.922473 ESP Fit Center 3113 is at 1.526359 -3.731007 0.594033 ESP Fit Center 3114 is at 1.926649 -3.879258 0.594033 ESP Fit Center 3115 is at 2.348588 -3.943897 0.594033 ESP Fit Center 3116 is at 2.774901 -3.922276 0.594033 ESP Fit Center 3117 is at 3.188136 -3.815283 0.594033 ESP Fit Center 3118 is at 1.426788 -3.902757 0.227996 ESP Fit Center 3119 is at 1.823895 -4.056597 0.227996 ESP Fit Center 3120 is at 2.242508 -4.134849 0.227996 ESP Fit Center 3121 is at 2.668372 -4.134849 0.227996 ESP Fit Center 3122 is at 1.233996 -3.952548 -0.165653 ESP Fit Center 3123 is at 1.619923 -4.132509 -0.165653 ESP Fit Center 3124 is at 2.031237 -4.242721 -0.165653 ESP Fit Center 3125 is at 2.455440 -4.279833 -0.165653 ESP Fit Center 3126 is at 2.879643 -4.242721 -0.165653 ESP Fit Center 3127 is at 0.962083 -3.856098 -0.576177 ESP Fit Center 3128 is at 1.324802 -4.079432 -0.576177 ESP Fit Center 3129 is at 1.720047 -4.238255 -0.576177 ESP Fit Center 3130 is at 2.136449 -4.327997 -0.576177 ESP Fit Center 3131 is at 2.562027 -4.346075 -0.576177 ESP Fit Center 3132 is at 0.962083 -3.856098 -0.992376 ESP Fit Center 3133 is at 1.324802 -4.079432 -0.992376 ESP Fit Center 3134 is at 1.720047 -4.238255 -0.992376 ESP Fit Center 3135 is at 2.136449 -4.327997 -0.992376 ESP Fit Center 3136 is at 2.562027 -4.346075 -0.992376 ESP Fit Center 3137 is at 0.885182 -3.708306 -1.402900 ESP Fit Center 3138 is at 1.233996 -3.952548 -1.402900 ESP Fit Center 3139 is at 1.619923 -4.132509 -1.402900 ESP Fit Center 3140 is at 2.031237 -4.242721 -1.402900 ESP Fit Center 3141 is at 2.455440 -4.279833 -1.402900 ESP Fit Center 3142 is at 0.749993 -3.391665 -1.796549 ESP Fit Center 3143 is at 1.064711 -3.678568 -1.796549 ESP Fit Center 3144 is at 1.426788 -3.902757 -1.796549 ESP Fit Center 3145 is at 1.823895 -4.056597 -1.796549 ESP Fit Center 3146 is at 2.242508 -4.134849 -1.796549 ESP Fit Center 3147 is at 2.668372 -4.134849 -1.796549 ESP Fit Center 3148 is at 0.442531 -2.468499 -2.162586 ESP Fit Center 3149 is at 0.610867 -2.860767 -2.162586 ESP Fit Center 3150 is at 0.854719 -3.211119 -2.162586 ESP Fit Center 3151 is at 1.164105 -3.505212 -2.162586 ESP Fit Center 3152 is at 1.526359 -3.731007 -2.162586 ESP Fit Center 3153 is at 1.926649 -3.879258 -2.162586 ESP Fit Center 3154 is at 2.348588 -3.943897 -2.162586 ESP Fit Center 3155 is at 2.774901 -3.922276 -2.162586 ESP Fit Center 3156 is at 0.613952 -2.052184 -2.491026 ESP Fit Center 3157 is at 0.713227 -2.471058 -2.491026 ESP Fit Center 3158 is at 0.906426 -2.855748 -2.491026 ESP Fit Center 3159 is at 1.183132 -3.185513 -2.491026 ESP Fit Center 3160 is at 1.528428 -3.442577 -2.491026 ESP Fit Center 3161 is at 1.923700 -3.613081 -2.491026 ESP Fit Center 3162 is at 2.347638 -3.687832 -2.491026 ESP Fit Center 3163 is at 2.777388 -3.662802 -2.491026 ESP Fit 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3182 is at 1.855747 -0.798245 -3.000550 ESP Fit Center 3183 is at 1.536656 -1.065993 -3.000550 ESP Fit Center 3184 is at 1.328385 -1.426730 -3.000550 ESP Fit Center 3185 is at 1.256053 -1.836945 -3.000550 ESP Fit Center 3186 is at 1.328385 -2.247159 -3.000550 ESP Fit Center 3187 is at 1.536656 -2.607896 -3.000550 ESP Fit Center 3188 is at 1.855747 -2.875645 -3.000550 ESP Fit Center 3189 is at 2.247169 -3.018111 -3.000550 ESP Fit Center 3190 is at 2.663712 -3.018111 -3.000550 ESP Fit Center 3191 is at 3.055134 -2.875645 -3.000550 ESP Fit Center 3192 is at 3.273683 -1.836945 -3.167736 ESP Fit Center 3193 is at 3.164059 -1.427823 -3.167736 ESP Fit Center 3194 is at 2.864562 -1.128326 -3.167736 ESP Fit Center 3195 is at 2.455440 -1.018702 -3.167736 ESP Fit Center 3196 is at 2.046319 -1.128326 -3.167736 ESP Fit Center 3197 is at 1.746821 -1.427823 -3.167736 ESP Fit Center 3198 is at 1.637198 -1.836945 -3.167736 ESP Fit Center 3199 is at 1.746821 -2.246066 -3.167736 ESP Fit Center 3200 is at 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Center 3237 is at -2.945652 3.582145 1.737668 ESP Fit Center 3238 is at -3.340924 3.411642 1.737668 ESP Fit Center 3239 is at -3.686220 3.154578 1.737668 ESP Fit Center 3240 is at -3.962926 2.824812 1.737668 ESP Fit Center 3241 is at -4.156125 2.440123 1.737668 ESP Fit Center 3242 is at -1.681216 3.784347 1.409227 ESP Fit Center 3243 is at -2.094451 3.891341 1.409227 ESP Fit Center 3244 is at -2.520764 3.912961 1.409227 ESP Fit Center 3245 is at -2.942703 3.848323 1.409227 ESP Fit Center 3246 is at -3.342993 3.700071 1.409227 ESP Fit Center 3247 is at -3.705247 3.474277 1.409227 ESP Fit Center 3248 is at -4.014633 3.180184 1.409227 ESP Fit Center 3249 is at -4.258485 2.829831 1.409227 ESP Fit Center 3250 is at -4.426821 2.437564 1.409227 ESP Fit Center 3251 is at -1.782366 4.025661 1.043190 ESP Fit Center 3252 is at -2.200979 4.103914 1.043190 ESP Fit Center 3253 is at -2.626844 4.103914 1.043190 ESP Fit Center 3254 is at -3.045457 4.025661 1.043190 ESP Fit Center 3255 is at -3.442564 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Center 3274 is at -3.544550 4.048497 0.239018 ESP Fit Center 3275 is at -3.907269 3.825162 0.239018 ESP Fit Center 3276 is at -4.227027 3.543740 0.239018 ESP Fit Center 3277 is at -4.494625 3.212326 0.239018 ESP Fit Center 3278 is at -4.702364 2.840455 0.239018 ESP Fit Center 3279 is at -4.844269 2.438825 0.239018 ESP Fit Center 3280 is at -4.916257 2.018990 0.239018 ESP Fit Center 3281 is at -2.307325 4.315140 -0.177182 ESP Fit Center 3282 is at -2.732903 4.297061 -0.177182 ESP Fit Center 3283 is at -3.149305 4.207320 -0.177182 ESP Fit Center 3284 is at -3.544550 4.048497 -0.177182 ESP Fit Center 3285 is at -3.907269 3.825162 -0.177182 ESP Fit Center 3286 is at -4.227027 3.543740 -0.177182 ESP Fit Center 3287 is at -4.494625 3.212326 -0.177182 ESP Fit Center 3288 is at -4.702364 2.840455 -0.177182 ESP Fit Center 3289 is at -4.844269 2.438825 -0.177182 ESP Fit Center 3290 is at -4.916257 2.018990 -0.177182 ESP Fit Center 3291 is at -1.989708 4.211785 -0.587705 ESP Fit Center 3292 is at 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2.230057 -0.981355 ESP Fit Center 3311 is at -4.721660 1.806009 -0.981355 ESP Fit Center 3312 is at -2.094451 3.891341 -1.347391 ESP Fit Center 3313 is at -2.520764 3.912961 -1.347391 ESP Fit Center 3314 is at -2.942703 3.848323 -1.347391 ESP Fit Center 3315 is at -3.342993 3.700071 -1.347391 ESP Fit Center 3316 is at -3.705247 3.474277 -1.347391 ESP Fit Center 3317 is at -4.014633 3.180184 -1.347391 ESP Fit Center 3318 is at -4.258485 2.829831 -1.347391 ESP Fit Center 3319 is at -4.426821 2.437564 -1.347391 ESP Fit Center 3320 is at -4.512747 2.019440 -1.347391 ESP Fit Center 3321 is at -4.512747 1.592579 -1.347391 ESP Fit Center 3322 is at -1.679570 3.508404 -1.675832 ESP Fit Center 3323 is at -2.091964 3.631867 -1.675832 ESP Fit Center 3324 is at -2.521714 3.656897 -1.675832 ESP Fit Center 3325 is at -2.945652 3.582145 -1.675832 ESP Fit Center 3326 is at -3.340924 3.411642 -1.675832 ESP Fit Center 3327 is at -3.686220 3.154578 -1.675832 ESP Fit Center 3328 is at -3.962926 2.824812 -1.675832 ESP Fit Center 3329 is at -4.156125 2.440123 -1.675832 ESP Fit Center 3330 is at -4.255400 2.021249 -1.675832 ESP Fit Center 3331 is at -4.255400 1.590770 -1.675832 ESP Fit Center 3332 is at -1.701816 3.180292 -1.957716 ESP Fit Center 3333 is at -2.098999 3.321452 -1.957716 ESP Fit Center 3334 is at -2.519538 3.350217 -1.957716 ESP Fit Center 3335 is at -2.932244 3.264456 -1.957716 ESP Fit Center 3336 is at -3.306507 3.070529 -1.957716 ESP Fit Center 3337 is at -3.614570 2.782818 -1.957716 ESP Fit Center 3338 is at -3.833586 2.422661 -1.957716 ESP Fit Center 3339 is at -3.947311 2.016770 -1.957716 ESP Fit Center 3340 is at -3.947311 1.595249 -1.957716 ESP Fit Center 3341 is at -3.833586 1.189358 -1.957716 ESP Fit Center 3342 is at -1.814218 2.844709 -2.185356 ESP Fit Center 3343 is at -2.205640 2.987176 -2.185356 ESP Fit Center 3344 is at -2.622183 2.987176 -2.185356 ESP Fit Center 3345 is at -3.013605 2.844709 -2.185356 ESP Fit Center 3346 is at -3.332696 2.576961 -2.185356 ESP Fit Center 3347 is at -3.540967 2.216224 -2.185356 ESP Fit Center 3348 is at -3.613299 1.806009 -2.185356 ESP Fit Center 3349 is at -3.540967 1.395795 -2.185356 ESP Fit Center 3350 is at -3.332696 1.035058 -2.185356 ESP Fit Center 3351 is at -3.013605 0.767309 -2.185356 ESP Fit Center 3352 is at -2.004790 2.514628 -2.352541 ESP Fit Center 3353 is at -2.413912 2.624252 -2.352541 ESP Fit Center 3354 is at -2.823033 2.514628 -2.352541 ESP Fit Center 3355 is at -3.122531 2.215131 -2.352541 ESP Fit Center 3356 is at -3.232154 1.806009 -2.352541 ESP Fit Center 3357 is at -3.122531 1.396888 -2.352541 ESP Fit Center 3358 is at -2.823033 1.097391 -2.352541 ESP Fit Center 3359 is at -2.206522 2.165218 -2.454713 ESP Fit Center 3360 is at -2.621301 2.165218 -2.454713 ESP Fit Center 3361 is at -2.828690 1.806009 -2.454713 ESP Fit Center 3362 is at -2.621301 1.446801 -2.454713 ESP Fit Center 3363 is at -2.413912 1.806009 -2.489082 ESP Fit Center 3364 is at -1.324232 1.226409 2.677319 ESP Fit Center 3365 is at -0.901859 1.226409 2.644077 ESP Fit Center 3366 is at -1.113046 1.592195 2.644077 ESP Fit Center 3367 is at -1.535419 1.592195 2.644077 ESP Fit Center 3368 is at -1.746605 1.226409 2.644077 ESP Fit Center 3369 is at -1.535419 0.860624 2.644077 ESP Fit Center 3370 is at -1.113046 0.860624 2.644077 ESP Fit Center 3371 is at -0.489886 1.226409 2.545171 ESP Fit Center 3372 is at -0.907059 1.948974 2.545171 ESP Fit Center 3373 is at -1.324232 2.060755 2.545171 ESP Fit Center 3374 is at -1.741405 1.948974 2.545171 ESP Fit Center 3375 is at -2.046797 1.643582 2.545171 ESP Fit Center 3376 is at -2.158578 1.226409 2.545171 ESP Fit Center 3377 is at -2.046797 0.809237 2.545171 ESP Fit Center 3378 is at -1.741405 0.503845 2.545171 ESP Fit Center 3379 is at -0.601668 0.809237 2.545171 ESP Fit Center 3380 is at -1.537086 2.433562 2.383036 ESP Fit Center 3381 is at -0.172381 0.807170 2.383036 ESP Fit Center 3382 is at -1.734983 2.759353 -2.207027 ESP Fit Center 3383 is at -1.537086 2.433562 -2.428399 ESP Fit Center 3384 is at -1.937120 2.287961 -2.428399 ESP Fit Center 3385 is at -2.550007 1.226409 -2.428399 ESP Fit Center 3386 is at -2.476083 0.807170 -2.428399 ESP Fit Center 3387 is at -2.263230 0.438497 -2.428399 ESP Fit Center 3388 is at -1.324232 2.060755 -2.590534 ESP Fit Center 3389 is at -1.741405 1.948974 -2.590534 ESP Fit Center 3390 is at -2.046797 1.643582 -2.590534 ESP Fit Center 3391 is at -2.158578 1.226409 -2.590534 ESP Fit Center 3392 is at -2.046797 0.809237 -2.590534 ESP Fit Center 3393 is at -1.741405 0.503845 -2.590534 ESP Fit Center 3394 is at -0.601668 0.809237 -2.590534 ESP Fit Center 3395 is at -0.901859 1.226409 -2.689440 ESP Fit Center 3396 is at -1.113046 1.592195 -2.689440 ESP Fit Center 3397 is at -1.535419 1.592195 -2.689440 ESP Fit Center 3398 is at -1.746605 1.226409 -2.689440 ESP Fit Center 3399 is at -1.535419 0.860624 -2.689440 ESP Fit Center 3400 is at -1.113046 0.860624 -2.689440 ESP Fit Center 3401 is at -1.324232 1.226409 -2.722681 ESP Fit Center 3402 is at -0.148058 1.943360 2.624287 ESP Fit Center 3403 is at 0.274315 1.943360 2.591046 ESP Fit Center 3404 is at 0.063129 2.309146 2.591046 ESP Fit Center 3405 is at -0.359244 2.309146 2.591046 ESP Fit Center 3406 is at -0.570431 1.943360 2.591046 ESP Fit Center 3407 is at -0.359244 1.577574 2.591046 ESP Fit Center 3408 is at 0.063129 1.577574 2.591046 ESP Fit Center 3409 is at 0.686288 1.943360 2.492140 ESP Fit Center 3410 is at 0.574507 2.360533 2.492140 ESP Fit Center 3411 is at 0.269115 2.665925 2.492140 ESP Fit Center 3412 is at -0.148058 2.777706 2.492140 ESP Fit Center 3413 is at -0.565231 2.665925 2.492140 ESP Fit Center 3414 is at -0.870623 2.360533 2.492140 ESP Fit Center 3415 is at -0.148058 1.109014 2.492140 ESP Fit Center 3416 is at 0.269115 1.220795 2.492140 ESP Fit Center 3417 is at 0.790940 2.731273 2.330005 ESP Fit Center 3418 is at 0.464829 3.004912 2.330005 ESP Fit Center 3419 is at 0.064796 3.150512 2.330005 ESP Fit Center 3420 is at 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Fit Center 3439 is at -1.338417 3.436024 -1.984901 ESP Fit Center 3440 is at -1.640721 3.133719 -1.984901 ESP Fit Center 3441 is at 0.645452 3.317760 -2.260059 ESP Fit Center 3442 is at 0.262693 3.476304 -2.260059 ESP Fit Center 3443 is at -0.148058 3.530380 -2.260059 ESP Fit Center 3444 is at -0.558809 3.476304 -2.260059 ESP Fit Center 3445 is at -0.941568 3.317760 -2.260059 ESP Fit Center 3446 is at -1.270251 3.065553 -2.260059 ESP Fit Center 3447 is at -1.522458 2.736870 -2.260059 ESP Fit Center 3448 is at 0.790940 2.731273 -2.481430 ESP Fit Center 3449 is at 0.464829 3.004912 -2.481430 ESP Fit Center 3450 is at 0.064796 3.150512 -2.481430 ESP Fit Center 3451 is at -0.360911 3.150512 -2.481430 ESP Fit Center 3452 is at -0.760945 3.004912 -2.481430 ESP Fit Center 3453 is at -1.087055 2.731273 -2.481430 ESP Fit Center 3454 is at -1.299909 2.362600 -2.481430 ESP Fit Center 3455 is at 0.574507 2.360533 -2.643565 ESP Fit Center 3456 is at 0.269115 2.665925 -2.643565 ESP Fit Center 3457 is at -0.148058 2.777706 -2.643565 ESP Fit Center 3458 is at -0.565231 2.665925 -2.643565 ESP Fit Center 3459 is at -0.870623 2.360533 -2.643565 ESP Fit Center 3460 is at -0.982404 1.943360 -2.643565 ESP Fit Center 3461 is at -0.565231 1.220795 -2.643565 ESP Fit Center 3462 is at -0.148058 1.109014 -2.643565 ESP Fit Center 3463 is at 0.274315 1.943360 -2.742471 ESP Fit Center 3464 is at 0.063129 2.309146 -2.742471 ESP Fit Center 3465 is at -0.359244 2.309146 -2.742471 ESP Fit Center 3466 is at -0.570431 1.943360 -2.742471 ESP Fit Center 3467 is at -0.359244 1.577574 -2.742471 ESP Fit Center 3468 is at 0.063129 1.577574 -2.742471 ESP Fit Center 3469 is at -0.148058 1.943360 -2.775713 ESP Fit Center 3470 is at 1.134640 1.423138 2.566447 ESP Fit Center 3471 is at 1.345827 1.788924 2.533206 ESP Fit Center 3472 is at 0.923454 1.788924 2.533206 ESP Fit Center 3473 is at 0.712267 1.423138 2.533206 ESP Fit Center 3474 is at 0.923454 1.057353 2.533206 ESP Fit Center 3475 is at 1.857205 1.840311 2.434300 ESP Fit Center 3476 is at 1.551813 2.145703 2.434300 ESP Fit Center 3477 is at 1.134640 2.257484 2.434300 ESP Fit Center 3478 is at 0.412075 1.005966 2.434300 ESP Fit Center 3479 is at 1.347494 2.630291 2.272165 ESP Fit Center 3480 is at 1.134640 3.010159 2.050793 ESP Fit Center 3481 is at 1.347494 2.630291 -2.539271 ESP Fit Center 3482 is at 0.921787 2.630291 -2.539271 ESP Fit Center 3483 is at 1.968986 1.423138 -2.701406 ESP Fit Center 3484 is at 1.857205 1.840311 -2.701406 ESP Fit Center 3485 is at 1.551813 2.145703 -2.701406 ESP Fit Center 3486 is at 1.134640 2.257484 -2.701406 ESP Fit Center 3487 is at 0.717467 2.145703 -2.701406 ESP Fit Center 3488 is at 0.300294 1.423138 -2.701406 ESP Fit Center 3489 is at 0.412075 1.005966 -2.701406 ESP Fit Center 3490 is at 1.857205 1.005966 -2.701406 ESP Fit Center 3491 is at 1.557013 1.423138 -2.800311 ESP Fit Center 3492 is at 1.345827 1.788924 -2.800311 ESP Fit Center 3493 is at 0.923454 1.788924 -2.800311 ESP Fit Center 3494 is at 0.712267 1.423138 -2.800311 ESP Fit Center 3495 is at 0.923454 1.057353 -2.800311 ESP Fit Center 3496 is at 1.345827 1.057353 -2.800311 ESP Fit Center 3497 is at 1.134640 1.423138 -2.833553 ESP Fit Center 3498 is at 2.113808 2.143846 2.337459 ESP Fit Center 3499 is at 2.528587 2.143846 2.303090 ESP Fit Center 3500 is at 2.321198 2.503054 2.303090 ESP Fit Center 3501 is at 1.906419 2.503054 2.303090 ESP Fit Center 3502 is at 2.932051 2.143846 2.200919 ESP Fit Center 3503 is at 2.822427 2.552967 2.200919 ESP Fit Center 3504 is at 2.522930 2.852465 2.200919 ESP Fit Center 3505 is at 2.113808 2.962088 2.200919 ESP Fit Center 3506 is at 1.704687 2.852465 2.200919 ESP Fit Center 3507 is at 3.313196 2.143846 2.033733 ESP Fit Center 3508 is at 3.240864 2.554060 2.033733 ESP Fit Center 3509 is at 3.032592 2.914797 2.033733 ESP Fit Center 3510 is at 2.713502 3.182546 2.033733 ESP Fit Center 3511 is at 2.322080 3.325012 2.033733 ESP Fit Center 3512 is at 1.905537 3.325012 2.033733 ESP Fit Center 3513 is at 1.514115 3.182546 2.033733 ESP Fit Center 3514 is at 3.661624 2.143846 1.806094 ESP Fit Center 3515 is at 3.604227 2.561442 1.806094 ESP Fit Center 3516 is at 3.436292 2.948066 1.806094 ESP Fit Center 3517 is at 3.170275 3.275045 1.806094 ESP Fit Center 3518 is at 2.825904 3.518129 1.806094 ESP Fit Center 3519 is at 2.428721 3.659288 1.806094 ESP Fit Center 3520 is at 2.008182 3.688053 1.806094 ESP Fit Center 3521 is at 1.595476 3.602292 1.806094 ESP Fit Center 3522 is at 1.221213 3.408365 1.806094 ESP Fit Center 3523 is at 3.967833 2.143846 1.524209 ESP Fit Center 3524 is at 3.917857 2.571413 1.524209 ESP Fit Center 3525 is at 3.770625 2.975930 1.524209 ESP Fit Center 3526 is at 3.534073 3.335590 1.524209 ESP Fit Center 3527 is at 3.220955 3.631002 1.524209 ESP Fit Center 3528 is at 2.848150 3.846241 1.524209 ESP Fit Center 3529 is at 2.435756 3.969703 1.524209 ESP Fit Center 3530 is at 2.006006 3.994733 1.524209 ESP Fit Center 3531 is at 1.582068 3.919982 1.524209 ESP Fit Center 3532 is at 1.186796 3.749478 1.524209 ESP Fit Center 3533 is at 4.223468 2.143846 1.195769 ESP Fit Center 3534 is at 4.180283 2.568517 1.195769 ESP Fit Center 3535 is at 4.052496 2.975802 1.195769 ESP Fit Center 3536 is at 3.845340 3.349027 1.195769 ESP Fit Center 3537 is at 3.567294 3.672912 1.195769 ESP Fit Center 3538 is at 3.229742 3.934196 1.195769 ESP Fit Center 3539 is at 2.846504 4.122183 1.195769 ESP Fit Center 3540 is at 2.433269 4.229177 1.195769 ESP Fit Center 3541 is at 2.006956 4.250798 1.195769 ESP Fit Center 3542 is at 1.585017 4.186159 1.195769 ESP Fit Center 3543 is at 1.184727 4.037908 1.195769 ESP Fit Center 3544 is at 4.421557 2.143846 0.829732 ESP Fit Center 3545 is at 4.382263 2.567893 0.829732 ESP Fit Center 3546 is at 4.265720 2.977501 0.829732 ESP Fit Center 3547 is at 4.075896 3.358719 0.829732 ESP Fit Center 3548 is at 3.819255 3.698566 0.829732 ESP Fit Center 3549 is at 3.504538 3.985469 0.829732 ESP Fit Center 3550 is at 3.142460 4.209658 0.829732 ESP Fit Center 3551 is at 2.745354 4.363498 0.829732 ESP Fit Center 3552 is at 2.326741 4.441750 0.829732 ESP Fit Center 3553 is at 1.900876 4.441750 0.829732 ESP Fit Center 3554 is at 1.482263 4.363498 0.829732 ESP Fit Center 3555 is at 4.382263 1.719798 0.829732 ESP Fit Center 3556 is at 4.556697 2.143846 0.436083 ESP Fit Center 3557 is at 4.519584 2.568049 0.436083 ESP Fit Center 3558 is at 4.409373 2.979363 0.436083 ESP Fit Center 3559 is at 4.229412 3.365290 0.436083 ESP Fit Center 3560 is at 3.985170 3.714104 0.436083 ESP Fit Center 3561 is at 3.684067 4.015207 0.436083 ESP Fit Center 3562 is at 3.335253 4.259449 0.436083 ESP Fit Center 3563 is at 2.949325 4.439410 0.436083 ESP Fit Center 3564 is at 2.538011 4.549621 0.436083 ESP Fit Center 3565 is at 2.113808 4.586734 0.436083 ESP Fit Center 3566 is at 1.689605 4.549621 0.436083 ESP Fit Center 3567 is at 1.278291 4.439410 0.436083 ESP Fit Center 3568 is at 4.519584 1.719643 0.436083 ESP Fit Center 3569 is at 4.625201 2.143846 0.025559 ESP Fit Center 3570 is at 4.589077 2.568273 0.025559 ESP Fit Center 3571 is at 4.481744 2.980491 0.025559 ESP Fit Center 3572 is at 4.306290 3.368639 0.025559 ESP Fit Center 3573 is at 4.067762 3.721553 0.025559 ESP Fit Center 3574 is at 3.773022 4.029079 0.025559 ESP Fit Center 3575 is at 3.430550 4.282370 0.025559 ESP Fit Center 3576 is at 3.050197 4.474140 0.025559 ESP Fit Center 3577 is at 2.642907 4.598871 0.025559 ESP Fit Center 3578 is at 2.220395 4.652976 0.025559 ESP Fit Center 3579 is at 1.794817 4.634897 0.025559 ESP Fit Center 3580 is at 1.378415 4.545156 0.025559 ESP Fit Center 3581 is at 4.589077 1.719418 0.025559 ESP Fit Center 3582 is at 4.625201 2.143846 -0.390641 ESP Fit Center 3583 is at 4.589077 2.568273 -0.390641 ESP Fit Center 3584 is at 4.481744 2.980491 -0.390641 ESP Fit Center 3585 is at 4.306290 3.368639 -0.390641 ESP Fit Center 3586 is at 4.067762 3.721553 -0.390641 ESP Fit Center 3587 is at 3.773022 4.029079 -0.390641 ESP Fit Center 3588 is at 3.430550 4.282370 -0.390641 ESP Fit Center 3589 is at 3.050197 4.474140 -0.390641 ESP Fit Center 3590 is at 2.642907 4.598871 -0.390641 ESP Fit Center 3591 is at 2.220395 4.652976 -0.390641 ESP Fit Center 3592 is at 1.794817 4.634897 -0.390641 ESP Fit Center 3593 is at 1.378415 4.545156 -0.390641 ESP Fit Center 3594 is at 4.589077 1.719418 -0.390641 ESP Fit Center 3595 is at 4.556697 2.143846 -0.801164 ESP Fit Center 3596 is at 4.519584 2.568049 -0.801164 ESP Fit Center 3597 is at 4.409373 2.979363 -0.801164 ESP Fit Center 3598 is at 4.229412 3.365290 -0.801164 ESP Fit Center 3599 is at 3.985170 3.714104 -0.801164 ESP Fit Center 3600 is at 3.684067 4.015207 -0.801164 ESP Fit Center 3601 is at 3.335253 4.259449 -0.801164 ESP Fit Center 3602 is at 2.949325 4.439410 -0.801164 ESP Fit Center 3603 is at 2.538011 4.549621 -0.801164 ESP Fit Center 3604 is at 2.113808 4.586734 -0.801164 ESP Fit Center 3605 is at 1.689605 4.549621 -0.801164 ESP Fit Center 3606 is at 1.278291 4.439410 -0.801164 ESP Fit Center 3607 is at 4.421557 2.143846 -1.194813 ESP Fit Center 3608 is at 4.382263 2.567893 -1.194813 ESP Fit Center 3609 is at 4.265720 2.977501 -1.194813 ESP Fit Center 3610 is at 4.075896 3.358719 -1.194813 ESP Fit Center 3611 is at 3.819255 3.698566 -1.194813 ESP Fit Center 3612 is at 3.504538 3.985469 -1.194813 ESP Fit Center 3613 is at 3.142460 4.209658 -1.194813 ESP Fit Center 3614 is at 2.745354 4.363498 -1.194813 ESP Fit Center 3615 is at 2.326741 4.441750 -1.194813 ESP Fit Center 3616 is at 1.900876 4.441750 -1.194813 ESP Fit Center 3617 is at 1.482263 4.363498 -1.194813 ESP Fit Center 3618 is at 4.223468 2.143846 -1.560850 ESP Fit Center 3619 is at 4.180283 2.568517 -1.560850 ESP Fit Center 3620 is at 4.052496 2.975802 -1.560850 ESP Fit Center 3621 is at 3.845340 3.349027 -1.560850 ESP Fit Center 3622 is at 3.567294 3.672912 -1.560850 ESP Fit Center 3623 is at 3.229742 3.934196 -1.560850 ESP Fit Center 3624 is at 2.846504 4.122183 -1.560850 ESP Fit Center 3625 is at 2.433269 4.229177 -1.560850 ESP Fit Center 3626 is at 2.006956 4.250798 -1.560850 ESP Fit Center 3627 is at 1.585017 4.186159 -1.560850 ESP Fit Center 3628 is at 1.184727 4.037908 -1.560850 ESP Fit Center 3629 is at 3.967833 2.143846 -1.889290 ESP Fit Center 3630 is at 3.917857 2.571413 -1.889290 ESP Fit Center 3631 is at 3.770625 2.975930 -1.889290 ESP Fit Center 3632 is at 3.534073 3.335590 -1.889290 ESP Fit Center 3633 is at 3.220955 3.631002 -1.889290 ESP Fit Center 3634 is at 2.848150 3.846241 -1.889290 ESP Fit Center 3635 is at 2.435756 3.969703 -1.889290 ESP Fit Center 3636 is at 2.006006 3.994733 -1.889290 ESP Fit Center 3637 is at 1.582068 3.919982 -1.889290 ESP Fit Center 3638 is at 1.186796 3.749478 -1.889290 ESP Fit Center 3639 is at 3.661624 2.143846 -2.171175 ESP Fit Center 3640 is at 3.604227 2.561442 -2.171175 ESP Fit Center 3641 is at 3.436292 2.948066 -2.171175 ESP Fit Center 3642 is at 3.170275 3.275045 -2.171175 ESP Fit Center 3643 is at 2.825904 3.518129 -2.171175 ESP Fit Center 3644 is at 2.428721 3.659288 -2.171175 ESP Fit Center 3645 is at 2.008182 3.688053 -2.171175 ESP Fit Center 3646 is at 1.595476 3.602292 -2.171175 ESP Fit Center 3647 is at 1.221213 3.408365 -2.171175 ESP Fit Center 3648 is at 3.313196 2.143846 -2.398814 ESP Fit Center 3649 is at 3.240864 2.554060 -2.398814 ESP Fit Center 3650 is at 3.032592 2.914797 -2.398814 ESP Fit Center 3651 is at 2.713502 3.182546 -2.398814 ESP Fit Center 3652 is at 2.322080 3.325012 -2.398814 ESP Fit Center 3653 is at 1.905537 3.325012 -2.398814 ESP Fit Center 3654 is at 1.514115 3.182546 -2.398814 ESP Fit Center 3655 is at 1.195024 2.914797 -2.398814 ESP Fit Center 3656 is at 3.240864 1.733631 -2.398814 ESP Fit Center 3657 is at 2.932051 2.143846 -2.566000 ESP Fit Center 3658 is at 2.822427 2.552967 -2.566000 ESP Fit Center 3659 is at 2.522930 2.852465 -2.566000 ESP Fit Center 3660 is at 2.113808 2.962088 -2.566000 ESP Fit Center 3661 is at 1.704687 2.852465 -2.566000 ESP Fit Center 3662 is at 2.522930 1.435227 -2.566000 ESP Fit Center 3663 is at 2.822427 1.734724 -2.566000 ESP Fit Center 3664 is at 2.528587 2.143846 -2.668171 ESP Fit Center 3665 is at 2.321198 2.503054 -2.668171 ESP Fit Center 3666 is at 1.906419 2.503054 -2.668171 ESP Fit Center 3667 is at 2.321198 1.784637 -2.668171 ESP Fit Center 3668 is at 2.113808 2.143846 -2.702541 ESP Fit Center 3669 is at 0.788359 0.057722 2.526334 ESP Fit Center 3670 is at 0.488168 0.474895 2.427429 ESP Fit Center 3671 is at 0.058881 0.476961 -2.546142 ESP Fit Center 3672 is at 1.933297 0.474895 -2.708277 ESP Fit Center 3673 is at 0.488168 0.474895 -2.708277 ESP Fit Center 3674 is at 0.376387 0.057722 -2.708277 ESP Fit Center 3675 is at 0.793560 -0.664843 -2.708277 ESP Fit Center 3676 is at 1.210732 -0.776624 -2.708277 ESP Fit Center 3677 is at 1.633106 0.057722 -2.807183 ESP Fit Center 3678 is at 1.421919 0.423508 -2.807183 ESP Fit Center 3679 is at 0.999546 0.423508 -2.807183 ESP Fit Center 3680 is at 0.788359 0.057722 -2.807183 ESP Fit Center 3681 is at 0.999546 -0.308064 -2.807183 ESP Fit Center 3682 is at 1.421919 -0.308064 -2.807183 ESP Fit Center 3683 is at 1.210732 0.057722 -2.840424 ESP Fit Center 3684 is at 0.094113 -0.739071 2.615991 ESP Fit Center 3685 is at 0.516486 -0.739071 2.582750 ESP Fit Center 3686 is at 0.305300 -0.373285 2.582750 ESP Fit Center 3687 is at -0.117074 -0.373285 2.582750 ESP Fit Center 3688 is at -0.328260 -0.739071 2.582750 ESP Fit Center 3689 is at -0.117074 -1.104857 2.582750 ESP Fit Center 3690 is at 0.305300 -1.104857 2.582750 ESP Fit Center 3691 is at 0.511286 -0.016506 2.483844 ESP Fit Center 3692 is at 0.094113 0.095275 2.483844 ESP Fit Center 3693 is at -0.628452 -1.156244 2.483844 ESP Fit Center 3694 is at -0.323060 -1.461635 2.483844 ESP Fit Center 3695 is at 0.094113 -1.573417 2.483844 ESP Fit Center 3696 is at 0.511286 -1.461635 2.483844 ESP Fit Center 3697 is at 0.816678 -1.156244 2.483844 ESP Fit Center 3698 is at -0.844885 -1.526983 2.321709 ESP Fit Center 3699 is at -0.518774 -1.800622 2.321709 ESP Fit Center 3700 is at -0.118740 -1.946223 2.321709 ESP Fit Center 3701 is at 0.306966 -1.946223 2.321709 ESP Fit Center 3702 is at 0.707000 -1.800622 2.321709 ESP Fit Center 3703 is at -0.699397 -2.113471 2.100337 ESP Fit Center 3704 is at -0.316638 -2.272014 2.100337 ESP Fit Center 3705 is at 0.094113 -2.326091 2.100337 ESP Fit Center 3706 is at 0.504864 -2.272014 2.100337 ESP Fit Center 3707 is at 0.887623 -2.113471 2.100337 ESP Fit Center 3708 is at -0.734253 -2.459190 -1.993197 ESP Fit Center 3709 is at -1.028080 -1.861263 -2.268355 ESP Fit Center 3710 is at -0.699397 -2.113471 -2.268355 ESP Fit Center 3711 is at -0.316638 -2.272014 -2.268355 ESP Fit Center 3712 is at 0.094113 -2.326091 -2.268355 ESP Fit Center 3713 is at -0.118740 0.468081 -2.489726 ESP Fit Center 3714 is at -0.844885 -1.526983 -2.489726 ESP Fit Center 3715 is at -0.518774 -1.800622 -2.489726 ESP Fit Center 3716 is at -0.118740 -1.946223 -2.489726 ESP Fit Center 3717 is at 0.306966 -1.946223 -2.489726 ESP Fit Center 3718 is at 0.094113 0.095275 -2.651861 ESP Fit Center 3719 is at -0.323060 -0.016506 -2.651861 ESP Fit Center 3720 is at -0.740233 -0.739071 -2.651861 ESP Fit Center 3721 is at -0.628452 -1.156244 -2.651861 ESP Fit Center 3722 is at -0.323060 -1.461635 -2.651861 ESP Fit Center 3723 is at 0.094113 -1.573417 -2.651861 ESP Fit Center 3724 is at 0.511286 -1.461635 -2.651861 ESP Fit Center 3725 is at 0.816678 -1.156244 -2.651861 ESP Fit Center 3726 is at 0.516486 -0.739071 -2.750767 ESP Fit Center 3727 is at 0.305300 -0.373285 -2.750767 ESP Fit Center 3728 is at -0.117074 -0.373285 -2.750767 ESP Fit Center 3729 is at -0.328260 -0.739071 -2.750767 ESP Fit Center 3730 is at -0.117074 -1.104857 -2.750767 ESP Fit Center 3731 is at 0.305300 -1.104857 -2.750767 ESP Fit Center 3732 is at 0.094113 -0.739071 -2.784009 ESP Fit Center 3733 is at -1.131042 -0.206404 2.675215 ESP Fit Center 3734 is at -0.708669 -0.206404 2.641973 ESP Fit Center 3735 is at -0.919855 0.159382 2.641973 ESP Fit Center 3736 is at -1.342228 0.159382 2.641973 ESP Fit Center 3737 is at -1.553415 -0.206404 2.641973 ESP Fit Center 3738 is at -1.342228 -0.572190 2.641973 ESP Fit Center 3739 is at -0.919855 -0.572190 2.641973 ESP Fit Center 3740 is at -0.296696 -0.206404 2.543067 ESP Fit Center 3741 is at -0.408477 0.210769 2.543067 ESP Fit Center 3742 is at -0.713869 0.516161 2.543067 ESP Fit Center 3743 is at -1.853607 0.210769 2.543067 ESP Fit Center 3744 is at -1.131042 -1.040750 2.543067 ESP Fit Center 3745 is at -0.713869 -0.928969 2.543067 ESP Fit Center 3746 is at -0.192044 0.581509 2.380932 ESP Fit Center 3747 is at -0.918188 -1.413556 2.380932 ESP Fit Center 3748 is at -0.192044 0.581509 -2.430503 ESP Fit Center 3749 is at -2.282893 0.212836 -2.430503 ESP Fit Center 3750 is at -1.343895 -1.413556 -2.430503 ESP Fit Center 3751 is at -0.408477 0.210769 -2.592638 ESP Fit Center 3752 is at -0.713869 0.516161 -2.592638 ESP Fit Center 3753 is at -1.853607 0.210769 -2.592638 ESP Fit Center 3754 is at -1.965388 -0.206404 -2.592638 ESP Fit Center 3755 is at -1.853607 -0.623577 -2.592638 ESP Fit Center 3756 is at -1.548215 -0.928969 -2.592638 ESP Fit Center 3757 is at -1.131042 -1.040750 -2.592638 ESP Fit Center 3758 is at -0.708669 -0.206404 -2.691544 ESP Fit Center 3759 is at -0.919855 0.159382 -2.691544 ESP Fit Center 3760 is at -1.342228 0.159382 -2.691544 ESP Fit Center 3761 is at -1.553415 -0.206404 -2.691544 ESP Fit Center 3762 is at -1.342228 -0.572190 -2.691544 ESP Fit Center 3763 is at -0.919855 -0.572190 -2.691544 ESP Fit Center 3764 is at -1.131042 -0.206404 -2.724785 ESP Fit Center 3765 is at 4.795753 1.230293 -0.042047 ESP Fit Center 3766 is at 5.138531 0.868034 -0.447249 ESP Fit Center 3767 is at 4.942761 1.234294 -0.447249 ESP Fit Center 3768 is at 4.679298 1.555324 -0.447249 ESP Fit Center 3769 is at 5.341295 0.057321 -0.868644 ESP Fit Center 3770 is at 5.302261 0.466103 -0.868644 ESP Fit Center 3771 is at 5.186570 0.860112 -0.868644 ESP Fit Center 3772 is at 4.998403 1.225105 -0.868644 ESP Fit Center 3773 is at 4.744561 1.547891 -0.868644 ESP Fit Center 3774 is at 5.186570 -0.745470 -0.868644 ESP Fit Center 3775 is at 5.302261 -0.351462 -0.868644 ESP Fit Center 3776 is at 5.299792 0.057321 -1.290039 ESP Fit Center 3777 is at 5.259085 0.470619 -1.290039 ESP Fit Center 3778 is at 5.138531 0.868034 -1.290039 ESP Fit Center 3779 is at 4.942761 1.234294 -1.290039 ESP Fit Center 3780 is at 4.679298 1.555324 -1.290039 ESP Fit Center 3781 is at 4.358269 1.818786 -1.290039 ESP Fit Center 3782 is at 5.138531 -0.753393 -1.290039 ESP Fit Center 3783 is at 5.259085 -0.355977 -1.290039 ESP Fit Center 3784 is at 5.176875 0.057321 -1.695240 ESP Fit Center 3785 is at 5.133267 0.472225 -1.695240 ESP Fit Center 3786 is at 5.004348 0.868996 -1.695240 ESP Fit Center 3787 is at 4.795753 1.230293 -1.695240 ESP Fit Center 3788 is at 4.516599 1.540325 -1.695240 ESP Fit Center 3789 is at 4.179085 1.785543 -1.695240 ESP Fit Center 3790 is at 5.004348 -0.754355 -1.695240 ESP Fit Center 3791 is at 5.133267 -0.357584 -1.695240 ESP Fit Center 3792 is at 4.977270 0.057321 -2.068675 ESP Fit Center 3793 is at 4.928859 0.471501 -2.068675 ESP Fit Center 3794 is at 4.786237 0.863352 -2.068675 ESP Fit Center 3795 is at 4.557092 1.211751 -2.068675 ESP Fit Center 3796 is at 4.253777 1.497913 -2.068675 ESP Fit Center 3797 is at 3.892644 1.706413 -2.068675 ESP Fit Center 3798 is at 4.786237 -0.748711 -2.068675 ESP Fit Center 3799 is at 4.928859 -0.356860 -2.068675 ESP Fit Center 3800 is at 4.708646 0.057321 -2.395994 ESP Fit Center 3801 is at 4.652008 0.469395 -2.395994 ESP Fit Center 3802 is at 4.486293 0.850908 -2.395994 ESP Fit Center 3803 is at 4.223793 1.173563 -2.395994 ESP Fit Center 3804 is at 3.883976 1.413433 -2.395994 ESP Fit Center 3805 is at 3.492044 1.552725 -2.395994 ESP Fit Center 3806 is at 4.486293 -0.736266 -2.395994 ESP Fit Center 3807 is at 4.652008 -0.354754 -2.395994 ESP Fit Center 3808 is at 4.381327 0.057321 -2.664618 ESP Fit Center 3809 is at 4.308956 0.467756 -2.664618 ESP Fit Center 3810 is at 4.100573 0.828686 -2.664618 ESP Fit Center 3811 is at 3.781311 1.096579 -2.664618 ESP Fit Center 3812 is at 3.389679 1.239121 -2.664618 ESP Fit Center 3813 is at 2.972912 1.239121 -2.664618 ESP Fit Center 3814 is at 2.581279 1.096579 -2.664618 ESP Fit Center 3815 is at 2.262018 0.828686 -2.664618 ESP Fit Center 3816 is at 4.100573 -0.714045 -2.664618 ESP Fit Center 3817 is at 4.308956 -0.353114 -2.664618 ESP Fit Center 3818 is at 4.007892 0.057321 -2.864223 ESP Fit Center 3819 is at 3.897149 0.470619 -2.864223 ESP Fit Center 3820 is at 3.594593 0.773174 -2.864223 ESP Fit Center 3821 is at 3.181295 0.883917 -2.864223 ESP Fit Center 3822 is at 2.767997 0.773174 -2.864223 ESP Fit Center 3823 is at 2.465442 0.470619 -2.864223 ESP Fit Center 3824 is at 2.354699 0.057321 -2.864223 ESP Fit Center 3825 is at 3.594593 -0.658533 -2.864223 ESP Fit Center 3826 is at 3.897149 -0.355977 -2.864223 ESP Fit Center 3827 is at 3.602690 0.057321 -2.987140 ESP Fit Center 3828 is at 3.391993 0.422259 -2.987140 ESP Fit Center 3829 is at 2.970598 0.422259 -2.987140 ESP Fit Center 3830 is at 2.759900 0.057321 -2.987140 ESP Fit Center 3831 is at 2.970598 -0.307618 -2.987140 ESP Fit Center 3832 is at 3.391993 -0.307618 -2.987140 ESP Fit Center 3833 is at 3.181295 0.057321 -3.028644 ESP Fit Center 3834 is at 5.143748 -0.599430 3.108684 ESP Fit Center 3835 is at 5.033005 -0.186132 3.108684 ESP Fit Center 3836 is at 5.517183 -0.599430 2.909079 ESP Fit Center 3837 is at 5.444813 -0.188995 2.909079 ESP Fit Center 3838 is at 5.236429 0.171935 2.909079 ESP Fit Center 3839 is at 5.236429 -1.370796 2.909079 ESP Fit Center 3840 is at 5.444813 -1.009865 2.909079 ESP Fit Center 3841 is at 5.844502 -0.599430 2.640455 ESP Fit Center 3842 is at 5.787864 -0.187356 2.640455 ESP Fit Center 3843 is at 5.622150 0.194157 2.640455 ESP Fit Center 3844 is at 5.359650 0.516812 2.640455 ESP Fit Center 3845 is at 5.019832 0.756682 2.640455 ESP Fit Center 3846 is at 5.359650 -1.715673 2.640455 ESP Fit Center 3847 is at 5.622150 -1.393017 2.640455 ESP Fit Center 3848 is at 5.787864 -1.011505 2.640455 ESP Fit Center 3849 is at 6.113126 -0.599430 2.313136 ESP Fit Center 3850 is at 6.064715 -0.185250 2.313136 ESP Fit Center 3851 is at 5.922093 0.206601 2.313136 ESP Fit Center 3852 is at 5.692948 0.555000 2.313136 ESP Fit Center 3853 is at 5.389633 0.841162 2.313136 ESP Fit Center 3854 is at 5.028501 1.049662 2.313136 ESP Fit Center 3855 is at 5.389633 -2.040023 2.313136 ESP Fit Center 3856 is at 5.692948 -1.753860 2.313136 ESP Fit Center 3857 is at 5.922093 -1.405462 2.313136 ESP Fit Center 3858 is at 6.064715 -1.013611 2.313136 ESP Fit Center 3859 is at 6.312731 -0.599430 1.939700 ESP Fit Center 3860 is at 6.269123 -0.184526 1.939700 ESP Fit Center 3861 is at 6.140205 0.212245 1.939700 ESP Fit Center 3862 is at 5.931610 0.573542 1.939700 ESP Fit Center 3863 is at 5.652455 0.883574 1.939700 ESP Fit Center 3864 is at 5.314942 1.128792 1.939700 ESP Fit Center 3865 is at 4.933820 1.298479 1.939700 ESP Fit Center 3866 is at 5.314942 -2.327653 1.939700 ESP Fit Center 3867 is at 5.652455 -2.082435 1.939700 ESP Fit Center 3868 is at 5.931610 -1.772403 1.939700 ESP Fit Center 3869 is at 6.140205 -1.411106 1.939700 ESP Fit Center 3870 is at 6.269123 -1.014335 1.939700 ESP Fit Center 3871 is at 6.435648 -0.599430 1.534499 ESP Fit Center 3872 is at 6.394942 -0.186132 1.534499 ESP Fit Center 3873 is at 6.274387 0.211283 1.534499 ESP Fit Center 3874 is at 6.078617 0.577543 1.534499 ESP Fit Center 3875 is at 5.815155 0.898573 1.534499 ESP Fit Center 3876 is at 5.494125 1.162035 1.534499 ESP Fit Center 3877 is at 5.127865 1.357805 1.534499 ESP Fit Center 3878 is at 5.494125 -2.360896 1.534499 ESP Fit Center 3879 is at 5.815155 -2.097433 1.534499 ESP Fit Center 3880 is at 6.078617 -1.776404 1.534499 ESP Fit Center 3881 is at 6.274387 -1.410144 1.534499 ESP Fit Center 3882 is at 6.394942 -1.012728 1.534499 ESP Fit Center 3883 is at 6.477152 -0.599430 1.113104 ESP Fit Center 3884 is at 6.438118 -0.190648 1.113104 ESP Fit Center 3885 is at 6.322426 0.203361 1.113104 ESP Fit Center 3886 is at 6.134259 0.568354 1.113104 ESP Fit Center 3887 is at 5.880417 0.891140 1.113104 ESP Fit Center 3888 is at 5.570075 1.160054 1.113104 ESP Fit Center 3889 is at 5.214448 1.365375 1.113104 ESP Fit Center 3890 is at 4.826391 1.499683 1.113104 ESP Fit Center 3891 is at 5.214448 -2.564235 1.113104 ESP Fit Center 3892 is at 5.570075 -2.358914 1.113104 ESP Fit Center 3893 is at 5.880417 -2.090001 1.113104 ESP Fit Center 3894 is at 6.134259 -1.767215 1.113104 ESP Fit Center 3895 is at 6.322426 -1.402221 1.113104 ESP Fit Center 3896 is at 6.438118 -1.008213 1.113104 ESP Fit Center 3897 is at 6.435648 -0.599430 0.691709 ESP Fit Center 3898 is at 6.394942 -0.186132 0.691709 ESP Fit Center 3899 is at 6.274387 0.211283 0.691709 ESP Fit Center 3900 is at 6.078617 0.577543 0.691709 ESP Fit Center 3901 is at 5.815155 0.898573 0.691709 ESP Fit Center 3902 is at 5.494125 1.162035 0.691709 ESP Fit Center 3903 is at 5.127865 1.357805 0.691709 ESP Fit Center 3904 is at 4.730450 1.478360 0.691709 ESP Fit Center 3905 is at 5.494125 -2.360896 0.691709 ESP Fit Center 3906 is at 5.815155 -2.097433 0.691709 ESP Fit Center 3907 is at 6.078617 -1.776404 0.691709 ESP Fit Center 3908 is at 6.274387 -1.410144 0.691709 ESP Fit Center 3909 is at 6.394942 -1.012728 0.691709 ESP Fit Center 3910 is at 6.312731 -0.599430 0.286508 ESP Fit Center 3911 is at 6.269123 -0.184526 0.286508 ESP Fit Center 3912 is at 6.140205 0.212245 0.286508 ESP Fit Center 3913 is at 5.931610 0.573542 0.286508 ESP Fit Center 3914 is at 5.652455 0.883574 0.286508 ESP Fit Center 3915 is at 5.314942 1.128792 0.286508 ESP Fit Center 3916 is at 4.933820 1.298479 0.286508 ESP Fit Center 3917 is at 5.314942 -2.327653 0.286508 ESP Fit Center 3918 is at 5.652455 -2.082435 0.286508 ESP Fit Center 3919 is at 5.931610 -1.772403 0.286508 ESP Fit Center 3920 is at 6.140205 -1.411106 0.286508 ESP Fit Center 3921 is at 6.269123 -1.014335 0.286508 ESP Fit Center 3922 is at 6.113126 -0.599430 -0.086928 ESP Fit Center 3923 is at 6.064715 -0.185250 -0.086928 ESP Fit Center 3924 is at 5.922093 0.206601 -0.086928 ESP Fit Center 3925 is at 5.692948 0.555000 -0.086928 ESP Fit Center 3926 is at 5.389633 0.841162 -0.086928 ESP Fit Center 3927 is at 5.028501 1.049662 -0.086928 ESP Fit Center 3928 is at 5.692948 -1.753860 -0.086928 ESP Fit Center 3929 is at 5.922093 -1.405462 -0.086928 ESP Fit Center 3930 is at 6.064715 -1.013611 -0.086928 ESP Fit Center 3931 is at 5.844502 -0.599430 -0.414246 ESP Fit Center 3932 is at 5.787864 -0.187356 -0.414246 ESP Fit Center 3933 is at 5.622150 0.194157 -0.414246 ESP Fit Center 3934 is at 5.359650 0.516812 -0.414246 ESP Fit Center 3935 is at 5.622150 -1.393017 -0.414246 ESP Fit Center 3936 is at 5.787864 -1.011505 -0.414246 ESP Fit Center 3937 is at 5.517183 -0.599430 -0.682870 ESP Fit Center 3938 is at 5.444813 -0.188995 -0.682870 ESP Fit Center 3939 is at 5.444813 -1.009865 -0.682870 ESP Fit Center 3940 is at 2.858632 -0.016100 4.059672 ESP Fit Center 3941 is at 3.280028 -0.016100 4.018168 ESP Fit Center 3942 is at 3.069330 0.348839 4.018168 ESP Fit Center 3943 is at 2.647935 0.348839 4.018168 ESP Fit Center 3944 is at 2.437237 -0.016100 4.018168 ESP Fit Center 3945 is at 2.647935 -0.381039 4.018168 ESP Fit Center 3946 is at 3.069330 -0.381039 4.018168 ESP Fit Center 3947 is at 3.685229 -0.016100 3.895252 ESP Fit Center 3948 is at 3.574486 0.397198 3.895252 ESP Fit Center 3949 is at 3.271931 0.699754 3.895252 ESP Fit Center 3950 is at 2.858632 0.810496 3.895252 ESP Fit Center 3951 is at 2.445334 0.699754 3.895252 ESP Fit Center 3952 is at 2.142779 0.397198 3.895252 ESP Fit Center 3953 is at 2.032036 -0.016100 3.895252 ESP Fit Center 3954 is at 2.142779 -0.429398 3.895252 ESP Fit Center 3955 is at 2.445334 -0.731953 3.895252 ESP Fit Center 3956 is at 2.858632 -0.842696 3.895252 ESP Fit Center 3957 is at 3.271931 -0.731953 3.895252 ESP Fit Center 3958 is at 3.574486 -0.429398 3.895252 ESP Fit Center 3959 is at 4.058664 -0.016100 3.695646 ESP Fit Center 3960 is at 3.986293 0.394335 3.695646 ESP Fit Center 3961 is at 3.777910 0.755266 3.695646 ESP Fit Center 3962 is at 3.458648 1.023158 3.695646 ESP Fit Center 3963 is at 3.067016 1.165701 3.695646 ESP Fit Center 3964 is at 2.650249 1.165701 3.695646 ESP Fit Center 3965 is at 2.258617 1.023158 3.695646 ESP Fit Center 3966 is at 1.939355 0.755266 3.695646 ESP Fit Center 3967 is at 1.730972 0.394335 3.695646 ESP Fit Center 3968 is at 1.658601 -0.016100 3.695646 ESP Fit Center 3969 is at 1.730972 -0.426535 3.695646 ESP Fit Center 3970 is at 1.939355 -0.787465 3.695646 ESP Fit Center 3971 is at 2.258617 -1.055358 3.695646 ESP Fit Center 3972 is at 4.329345 0.395975 3.427023 ESP Fit Center 3973 is at 4.163630 0.777487 3.427023 ESP Fit Center 3974 is at 3.901130 1.100143 3.427023 ESP Fit Center 3975 is at 3.561313 1.340012 3.427023 ESP Fit Center 3976 is at 3.169381 1.479305 3.427023 ESP Fit Center 3977 is at 2.754402 1.507690 3.427023 ESP Fit Center 3978 is at 2.347154 1.423063 3.427023 ESP Fit Center 3979 is at 1.977839 1.231700 3.427023 ESP Fit Center 3980 is at 1.673849 0.947793 3.427023 ESP Fit Center 3981 is at 1.457729 0.592398 3.427023 ESP Fit Center 3982 is at 1.345508 0.191874 3.427023 ESP Fit Center 3983 is at 1.345508 -0.224074 3.427023 ESP Fit Center 3984 is at 1.457729 -0.624598 3.427023 ESP Fit Center 3985 is at 1.673849 -0.979992 3.427023 ESP Fit Center 3986 is at 4.463574 0.789932 3.099704 ESP Fit Center 3987 is at 4.234429 1.138330 3.099704 ESP Fit Center 3988 is at 3.931114 1.424493 3.099704 ESP Fit Center 3989 is at 3.569982 1.632993 3.099704 ESP Fit Center 3990 is at 3.170500 1.752590 3.099704 ESP Fit Center 3991 is at 2.754206 1.776836 3.099704 ESP Fit Center 3992 is at 2.343541 1.704425 3.099704 ESP Fit Center 3993 is at 1.960645 1.539260 3.099704 ESP Fit Center 3994 is at 1.626160 1.290245 3.099704 ESP Fit Center 3995 is at 1.358118 0.970804 3.099704 ESP Fit Center 3996 is at 1.170969 0.598160 3.099704 ESP Fit Center 3997 is at 1.074802 0.192400 3.099704 ESP Fit Center 3998 is at 1.074802 -0.224600 3.099704 ESP Fit Center 3999 is at 1.170969 -0.630359 3.099704 ESP Fit Center 4000 is at 1.358118 -1.003004 3.099704 ESP Fit Center 4001 is at 4.473090 1.156873 2.726268 ESP Fit Center 4002 is at 4.193936 1.466905 2.726268 ESP Fit Center 4003 is at 3.856422 1.712123 2.726268 ESP Fit Center 4004 is at 3.475301 1.881809 2.726268 ESP Fit Center 4005 is at 3.067227 1.968548 2.726268 ESP Fit Center 4006 is at 2.650038 1.968548 2.726268 ESP Fit Center 4007 is at 2.241964 1.881809 2.726268 ESP Fit Center 4008 is at 1.860843 1.712123 2.726268 ESP Fit Center 4009 is at 1.523329 1.466905 2.726268 ESP Fit Center 4010 is at 1.244174 1.156873 2.726268 ESP Fit Center 4011 is at 1.035580 0.795576 2.726268 ESP Fit Center 4012 is at 0.906661 0.398805 2.726268 ESP Fit Center 4013 is at 0.863053 -0.016100 2.726268 ESP Fit Center 4014 is at 0.906661 -0.431004 2.726268 ESP Fit Center 4015 is at 1.035580 -0.827775 2.726268 ESP Fit Center 4016 is at 4.356635 1.481903 2.321067 ESP Fit Center 4017 is at 4.035606 1.745365 2.321067 ESP Fit Center 4018 is at 3.669346 1.941136 2.321067 ESP Fit Center 4019 is at 3.271931 2.061690 2.321067 ESP Fit Center 4020 is at 2.858632 2.102396 2.321067 ESP Fit Center 4021 is at 2.445334 2.061690 2.321067 ESP Fit Center 4022 is at 4.111555 1.743384 1.899672 ESP Fit Center 4023 is at 3.755929 1.948705 1.899672 ESP Fit Center 4024 is at -0.231524 3.796686 1.923419 ESP Fit Center 4025 is at 0.368491 4.009348 1.723814 ESP Fit Center 4026 is at -0.023141 4.151891 1.723814 ESP Fit Center 4027 is at -0.439908 4.151891 1.723814 ESP Fit Center 4028 is at -0.831540 4.009348 1.723814 ESP Fit Center 4029 is at -1.150802 3.741456 1.723814 ESP Fit Center 4030 is at 0.810974 4.086333 1.455190 ESP Fit Center 4031 is at 0.471156 4.326202 1.455190 ESP Fit Center 4032 is at 0.079224 4.465495 1.455190 ESP Fit Center 4033 is at -0.335754 4.493880 1.455190 ESP Fit Center 4034 is at -0.743003 4.409253 1.455190 ESP Fit Center 4035 is at -1.112317 4.217890 1.455190 ESP Fit Center 4036 is at -1.416308 3.933983 1.455190 ESP Fit Center 4037 is at 1.144272 4.124520 1.127871 ESP Fit Center 4038 is at 0.840957 4.410683 1.127871 ESP Fit Center 4039 is at 0.479825 4.619183 1.127871 ESP Fit Center 4040 is at 0.080343 4.738780 1.127871 ESP Fit Center 4041 is at -0.335951 4.763026 1.127871 ESP Fit Center 4042 is at -0.746616 4.690615 1.127871 ESP Fit Center 4043 is at -1.129512 4.525450 1.127871 ESP Fit Center 4044 is at -1.463997 4.276435 1.127871 ESP Fit Center 4045 is at 1.103779 4.453095 0.754436 ESP Fit Center 4046 is at 0.766266 4.698313 0.754436 ESP Fit Center 4047 is at 0.385144 4.867999 0.754436 ESP Fit Center 4048 is at -0.022929 4.954738 0.754436 ESP Fit Center 4049 is at -0.440119 4.954738 0.754436 ESP Fit Center 4050 is at -0.848192 4.867999 0.754436 ESP Fit Center 4051 is at -1.229314 4.698313 0.754436 ESP Fit Center 4052 is at -1.566828 4.453095 0.754436 ESP Fit Center 4053 is at 1.266479 4.468093 0.349235 ESP Fit Center 4054 is at 0.945449 4.731555 0.349235 ESP Fit Center 4055 is at 0.579189 4.927325 0.349235 ESP Fit Center 4056 is at 0.181774 5.047880 0.349235 ESP Fit Center 4057 is at -0.231524 5.088586 0.349235 ESP Fit Center 4058 is at -0.644822 5.047880 0.349235 ESP Fit Center 4059 is at -1.042238 4.927325 0.349235 ESP Fit Center 4060 is at -1.408498 4.731555 0.349235 ESP Fit Center 4061 is at -1.729527 4.468093 0.349235 ESP Fit Center 4062 is at 1.021399 4.729574 -0.072160 ESP Fit Center 4063 is at 0.665772 4.934895 -0.072160 ESP Fit Center 4064 is at 0.277715 5.069203 -0.072160 ESP Fit Center 4065 is at -0.128747 5.127644 -0.072160 ESP Fit Center 4066 is at -0.538924 5.108104 -0.072160 ESP Fit Center 4067 is at -0.937991 5.011292 -0.072160 ESP Fit Center 4068 is at -1.311524 4.840705 -0.072160 ESP Fit Center 4069 is at -1.646024 4.602509 -0.072160 ESP Fit Center 4070 is at -1.929399 4.305314 -0.072160 ESP Fit Center 4071 is at 0.945449 4.731555 -0.493555 ESP Fit Center 4072 is at 0.579189 4.927325 -0.493555 ESP Fit Center 4073 is at 0.181774 5.047880 -0.493555 ESP Fit Center 4074 is at -0.231524 5.088586 -0.493555 ESP Fit Center 4075 is at -0.644822 5.047880 -0.493555 ESP Fit Center 4076 is at -1.042238 4.927325 -0.493555 ESP Fit Center 4077 is at -1.408498 4.731555 -0.493555 ESP Fit Center 4078 is at -1.729527 4.468093 -0.493555 ESP Fit Center 4079 is at 1.103779 4.453095 -0.898757 ESP Fit Center 4080 is at 0.766266 4.698313 -0.898757 ESP Fit Center 4081 is at 0.385144 4.867999 -0.898757 ESP Fit Center 4082 is at -0.022929 4.954738 -0.898757 ESP Fit Center 4083 is at -0.440119 4.954738 -0.898757 ESP Fit Center 4084 is at -0.848192 4.867999 -0.898757 ESP Fit Center 4085 is at -1.229314 4.698313 -0.898757 ESP Fit Center 4086 is at -1.566828 4.453095 -0.898757 ESP Fit Center 4087 is at -1.845982 4.143062 -0.898757 ESP Fit Center 4088 is at 0.840957 4.410683 -1.272192 ESP Fit Center 4089 is at 0.479825 4.619183 -1.272192 ESP Fit Center 4090 is at 0.080343 4.738780 -1.272192 ESP Fit Center 4091 is at -0.335951 4.763026 -1.272192 ESP Fit Center 4092 is at -0.746616 4.690615 -1.272192 ESP Fit Center 4093 is at -1.129512 4.525450 -1.272192 ESP Fit Center 4094 is at -1.463997 4.276435 -1.272192 ESP Fit Center 4095 is at -1.732039 3.956994 -1.272192 ESP Fit Center 4096 is at 0.810974 4.086333 -1.599511 ESP Fit Center 4097 is at 0.471156 4.326202 -1.599511 ESP Fit Center 4098 is at 0.079224 4.465495 -1.599511 ESP Fit Center 4099 is at -0.335754 4.493880 -1.599511 ESP Fit Center 4100 is at -0.743003 4.409253 -1.599511 ESP Fit Center 4101 is at -1.112317 4.217890 -1.599511 ESP Fit Center 4102 is at -1.416308 3.933983 -1.599511 ESP Fit Center 4103 is at 0.368491 4.009348 -1.868135 ESP Fit Center 4104 is at -0.023141 4.151891 -1.868135 ESP Fit Center 4105 is at -0.439908 4.151891 -1.868135 ESP Fit Center 4106 is at -0.831540 4.009348 -1.868135 ESP Fit Center 4107 is at -1.150802 3.741456 -1.868135 ESP Fit Center 4108 is at -0.231524 3.796686 -2.067740 ESP Fit Center 4109 is at -0.205097 -2.538735 1.908274 ESP Fit Center 4110 is at 0.208201 -2.649478 1.908274 ESP Fit Center 4111 is at 0.621499 -2.538735 1.908274 ESP Fit Center 4112 is at -0.391815 -2.862140 1.708669 ESP Fit Center 4113 is at -0.000182 -3.004683 1.708669 ESP Fit Center 4114 is at 0.416584 -3.004683 1.708669 ESP Fit Center 4115 is at 0.808217 -2.862140 1.708669 ESP Fit Center 4116 is at -0.303278 -3.262045 1.440045 ESP Fit Center 4117 is at 0.103971 -3.346672 1.440045 ESP Fit Center 4118 is at 0.518950 -3.318287 1.440045 ESP Fit Center 4119 is at 0.910882 -3.178994 1.440045 ESP Fit Center 4120 is at 0.103774 -3.615818 1.112726 ESP Fit Center 4121 is at 0.520069 -3.591572 1.112726 ESP Fit Center 4122 is at 0.919550 -3.471975 1.112726 ESP Fit Center 4123 is at 1.280682 -3.263475 1.112726 ESP Fit Center 4124 is at -0.000394 -3.807530 0.739291 ESP Fit Center 4125 is at 0.416796 -3.807530 0.739291 ESP Fit Center 4126 is at 0.824869 -3.720791 0.739291 ESP Fit Center 4127 is at 1.205991 -3.551105 0.739291 ESP Fit Center 4128 is at -0.205097 -3.900672 0.334090 ESP Fit Center 4129 is at 0.208201 -3.941378 0.334090 ESP Fit Center 4130 is at 0.621499 -3.900672 0.334090 ESP Fit Center 4131 is at 1.018914 -3.780117 0.334090 ESP Fit Center 4132 is at -0.099199 -3.960896 -0.087306 ESP Fit Center 4133 is at 0.310978 -3.980436 -0.087306 ESP Fit Center 4134 is at 0.717440 -3.921995 -0.087306 ESP Fit Center 4135 is at -0.205097 -3.900672 -0.508701 ESP Fit Center 4136 is at 0.208201 -3.941378 -0.508701 ESP Fit Center 4137 is at 0.621499 -3.900672 -0.508701 ESP Fit Center 4138 is at -0.000394 -3.807530 -0.913902 ESP Fit Center 4139 is at 0.416796 -3.807530 -0.913902 ESP Fit Center 4140 is at -0.306890 -3.543407 -1.287337 ESP Fit Center 4141 is at 0.103774 -3.615818 -1.287337 ESP Fit Center 4142 is at 0.520069 -3.591572 -1.287337 ESP Fit Center 4143 is at -0.303278 -3.262045 -1.614656 ESP Fit Center 4144 is at 0.103971 -3.346672 -1.614656 ESP Fit Center 4145 is at 0.518950 -3.318287 -1.614656 ESP Fit Center 4146 is at -0.391815 -2.862140 -1.883280 ESP Fit Center 4147 is at -0.000182 -3.004683 -1.883280 ESP Fit Center 4148 is at 0.416584 -3.004683 -1.883280 ESP Fit Center 4149 is at -0.205097 -2.538735 -2.082885 ESP Fit Center 4150 is at 0.208201 -2.649478 -2.082885 ESP Fit Center 4151 is at -2.402140 -1.037700 2.734933 ESP Fit Center 4152 is at -1.979767 -1.037700 2.701691 ESP Fit Center 4153 is at -2.190953 -0.671914 2.701691 ESP Fit Center 4154 is at -2.613326 -0.671914 2.701691 ESP Fit Center 4155 is at -2.824513 -1.037700 2.701691 ESP Fit Center 4156 is at -2.613326 -1.403485 2.701691 ESP Fit Center 4157 is at -2.190953 -1.403485 2.701691 ESP Fit Center 4158 is at -1.567794 -1.037700 2.602785 ESP Fit Center 4159 is at -1.679575 -0.620527 2.602785 ESP Fit Center 4160 is at -1.984967 -0.315135 2.602785 ESP Fit Center 4161 is at -2.402140 -0.203354 2.602785 ESP Fit Center 4162 is at -3.124705 -1.454873 2.602785 ESP Fit Center 4163 is at -2.819313 -1.760264 2.602785 ESP Fit Center 4164 is at -2.402140 -1.872045 2.602785 ESP Fit Center 4165 is at -1.984967 -1.760264 2.602785 ESP Fit Center 4166 is at -1.679575 -1.454873 2.602785 ESP Fit Center 4167 is at -2.189286 0.169452 2.440650 ESP Fit Center 4168 is at -3.553991 -1.456939 2.440650 ESP Fit Center 4169 is at -3.341138 -1.825612 2.440650 ESP Fit Center 4170 is at -3.015027 -2.099251 2.440650 ESP Fit Center 4171 is at -1.463142 -1.825612 2.440650 ESP Fit Center 4172 is at -1.250289 -1.456939 2.440650 ESP Fit Center 4173 is at -3.776540 -1.831210 2.219279 ESP Fit Center 4174 is at -1.027740 -1.831210 2.219279 ESP Fit Center 4175 is at -3.776540 -1.831210 -2.149413 ESP Fit Center 4176 is at -3.524333 -2.159892 -2.149413 ESP Fit Center 4177 is at -2.614993 0.169452 -2.370785 ESP Fit Center 4178 is at -3.015027 0.023852 -2.370785 ESP Fit Center 4179 is at -3.627914 -1.037700 -2.370785 ESP Fit Center 4180 is at -3.553991 -1.456939 -2.370785 ESP Fit Center 4181 is at -3.341138 -1.825612 -2.370785 ESP Fit Center 4182 is at -3.015027 -2.099251 -2.370785 ESP Fit Center 4183 is at -1.463142 -1.825612 -2.370785 ESP Fit Center 4184 is at -2.402140 -0.203354 -2.532920 ESP Fit Center 4185 is at -2.819313 -0.315135 -2.532920 ESP Fit Center 4186 is at -3.124705 -0.620527 -2.532920 ESP Fit Center 4187 is at -3.236486 -1.037700 -2.532920 ESP Fit Center 4188 is at -3.124705 -1.454873 -2.532920 ESP Fit Center 4189 is at -2.819313 -1.760264 -2.532920 ESP Fit Center 4190 is at -2.402140 -1.872045 -2.532920 ESP Fit Center 4191 is at -1.984967 -1.760264 -2.532920 ESP Fit Center 4192 is at -1.679575 -1.454873 -2.532920 ESP Fit Center 4193 is at -1.979767 -1.037700 -2.631826 ESP Fit Center 4194 is at -2.190953 -0.671914 -2.631826 ESP Fit Center 4195 is at -2.613326 -0.671914 -2.631826 ESP Fit Center 4196 is at -2.824513 -1.037700 -2.631826 ESP Fit Center 4197 is at -2.613326 -1.403485 -2.631826 ESP Fit Center 4198 is at -2.190953 -1.403485 -2.631826 ESP Fit Center 4199 is at -2.402140 -1.037700 -2.665067 ESP Fit Center 4200 is at 3.024043 -1.730169 3.674980 ESP Fit Center 4201 is at 2.602648 -1.730169 3.633476 ESP Fit Center 4202 is at 2.813345 -2.095107 3.633476 ESP Fit Center 4203 is at 3.234741 -2.095107 3.633476 ESP Fit Center 4204 is at 2.197447 -1.730169 3.510560 ESP Fit Center 4205 is at 2.308190 -2.143467 3.510560 ESP Fit Center 4206 is at 2.610745 -2.446022 3.510560 ESP Fit Center 4207 is at 3.024043 -2.556765 3.510560 ESP Fit Center 4208 is at 3.437341 -2.446022 3.510560 ESP Fit Center 4209 is at 3.739896 -2.143467 3.510560 ESP Fit Center 4210 is at 1.824011 -1.730169 3.310954 ESP Fit Center 4211 is at 1.896382 -2.140604 3.310954 ESP Fit Center 4212 is at 2.104765 -2.501534 3.310954 ESP Fit Center 4213 is at 2.424027 -2.769427 3.310954 ESP Fit Center 4214 is at 2.815660 -2.911969 3.310954 ESP Fit Center 4215 is at 3.232426 -2.911969 3.310954 ESP Fit Center 4216 is at 3.624059 -2.769427 3.310954 ESP Fit Center 4217 is at 3.943321 -2.501534 3.310954 ESP Fit Center 4218 is at 4.151704 -2.140604 3.310954 ESP Fit Center 4219 is at 1.510918 -1.938143 3.042330 ESP Fit Center 4220 is at 1.623140 -2.338667 3.042330 ESP Fit Center 4221 is at 1.839260 -2.694061 3.042330 ESP Fit Center 4222 is at 2.143250 -2.977968 3.042330 ESP Fit Center 4223 is at 2.512564 -3.169331 3.042330 ESP Fit Center 4224 is at 2.919813 -3.253959 3.042330 ESP Fit Center 4225 is at 3.334792 -3.225573 3.042330 ESP Fit Center 4226 is at 3.726724 -3.086281 3.042330 ESP Fit Center 4227 is at 4.066541 -2.846411 3.042330 ESP Fit Center 4228 is at 4.329041 -2.523756 3.042330 ESP Fit Center 4229 is at 1.240212 -1.938669 2.715012 ESP Fit Center 4230 is at 1.336379 -2.344428 2.715012 ESP Fit Center 4231 is at 1.523528 -2.717073 2.715012 ESP Fit Center 4232 is at 1.791571 -3.036513 2.715012 ESP Fit Center 4233 is at 2.126056 -3.285528 2.715012 ESP Fit Center 4234 is at 2.508952 -3.450693 2.715012 ESP Fit Center 4235 is at 2.919616 -3.523104 2.715012 ESP Fit Center 4236 is at 3.335911 -3.498858 2.715012 ESP Fit Center 4237 is at 3.735392 -3.379261 2.715012 ESP Fit Center 4238 is at 4.096525 -3.170761 2.715012 ESP Fit Center 4239 is at 4.399839 -2.884599 2.715012 ESP Fit Center 4240 is at 4.628984 -2.536200 2.715012 ESP Fit Center 4241 is at 1.072071 -2.145073 2.341576 ESP Fit Center 4242 is at 1.200990 -2.541844 2.341576 ESP Fit Center 4243 is at 1.409585 -2.903141 2.341576 ESP Fit Center 4244 is at 1.688740 -3.213173 2.341576 ESP Fit Center 4245 is at 2.026253 -3.458391 2.341576 ESP Fit Center 4246 is at 2.407375 -3.628078 2.341576 ESP Fit Center 4247 is at 2.815448 -3.714816 2.341576 ESP Fit Center 4248 is at 3.232638 -3.714816 2.341576 ESP Fit Center 4249 is at 3.640711 -3.628078 2.341576 ESP Fit Center 4250 is at 4.021833 -3.458391 2.341576 ESP Fit Center 4251 is at 4.359347 -3.213173 2.341576 ESP Fit Center 4252 is at 4.638501 -2.903141 2.341576 ESP Fit Center 4253 is at 4.847096 -2.541844 2.341576 ESP Fit Center 4254 is at 1.066808 -2.540882 1.936375 ESP Fit Center 4255 is at 1.262578 -2.907142 1.936375 ESP Fit Center 4256 is at 1.526040 -3.228172 1.936375 ESP Fit Center 4257 is at 1.847070 -3.491634 1.936375 ESP Fit Center 4258 is at 2.213330 -3.687404 1.936375 ESP Fit Center 4259 is at 2.610745 -3.807959 1.936375 ESP Fit Center 4260 is at 3.024043 -3.848665 1.936375 ESP Fit Center 4261 is at 3.437341 -3.807959 1.936375 ESP Fit Center 4262 is at 3.834756 -3.687404 1.936375 ESP Fit Center 4263 is at 4.201016 -3.491634 1.936375 ESP Fit Center 4264 is at 4.522046 -3.228172 1.936375 ESP Fit Center 4265 is at 4.785508 -2.907142 1.936375 ESP Fit Center 4266 is at 1.326168 -3.065392 1.514980 ESP Fit Center 4267 is at 1.609544 -3.362588 1.514980 ESP Fit Center 4268 is at 1.944043 -3.600784 1.514980 ESP Fit Center 4269 is at 2.317576 -3.771370 1.514980 ESP Fit Center 4270 is at 2.716643 -3.868183 1.514980 ESP Fit Center 4271 is at 3.126820 -3.887722 1.514980 ESP Fit Center 4272 is at 3.533282 -3.829282 1.514980 ESP Fit Center 4273 is at 3.921339 -3.694974 1.514980 ESP Fit Center 4274 is at 4.276966 -3.489653 1.514980 ESP Fit Center 4275 is at 4.587309 -3.220739 1.514980 ESP Fit Center 4276 is at 4.841151 -2.897953 1.514980 ESP Fit Center 4277 is at 1.847070 -3.491634 1.093585 ESP Fit Center 4278 is at 2.213330 -3.687404 1.093585 ESP Fit Center 4279 is at 2.610745 -3.807959 1.093585 ESP Fit Center 4280 is at 3.024043 -3.848665 1.093585 ESP Fit Center 4281 is at 3.437341 -3.807959 1.093585 ESP Fit Center 4282 is at 3.834756 -3.687404 1.093585 ESP Fit Center 4283 is at 4.201016 -3.491634 1.093585 ESP Fit Center 4284 is at 4.522046 -3.228172 1.093585 ESP Fit Center 4285 is at 3.306480 -3.782910 0.633873 ESP Fit Center 4286 is at 3.721459 -3.754525 0.633873 ESP Fit Center 4287 is at 4.113391 -3.615232 0.633873 ESP Fit Center 4288 is at 4.453208 -3.375363 0.633873 ESP Fit Center 4289 is at 4.715709 -3.052707 0.633873 ESP Fit Center 4290 is at 3.306284 -4.052056 0.306554 ESP Fit Center 4291 is at 3.722578 -4.027809 0.306554 ESP Fit Center 4292 is at 4.122060 -3.908213 0.306554 ESP Fit Center 4293 is at 4.483192 -3.699713 0.306554 ESP Fit Center 4294 is at 4.786507 -3.413550 0.306554 ESP Fit Center 4295 is at 5.015652 -3.065152 0.306554 ESP Fit Center 4296 is at 5.158274 -2.673300 0.306554 ESP Fit Center 4297 is at 5.406290 -2.259120 -0.066882 ESP Fit Center 4298 is at 3.202116 -4.243768 -0.066882 ESP Fit Center 4299 is at 3.619305 -4.243768 -0.066882 ESP Fit Center 4300 is at 4.027379 -4.157029 -0.066882 ESP Fit Center 4301 is at 4.408500 -3.987343 -0.066882 ESP Fit Center 4302 is at 4.746014 -3.742125 -0.066882 ESP Fit Center 4303 is at 5.025168 -3.432092 -0.066882 ESP Fit Center 4304 is at 5.233763 -3.070795 -0.066882 ESP Fit Center 4305 is at 5.362682 -2.674024 -0.066882 ESP Fit Center 4306 is at 5.529207 -2.259120 -0.472083 ESP Fit Center 4307 is at 5.488500 -1.845822 -0.472083 ESP Fit Center 4308 is at 2.997412 -4.336910 -0.472083 ESP Fit Center 4309 is at 3.410710 -4.377616 -0.472083 ESP Fit Center 4310 is at 3.824009 -4.336910 -0.472083 ESP Fit Center 4311 is at 4.221424 -4.216355 -0.472083 ESP Fit Center 4312 is at 4.587684 -4.020585 -0.472083 ESP Fit Center 4313 is at 4.908714 -3.757123 -0.472083 ESP Fit Center 4314 is at 5.172176 -3.436093 -0.472083 ESP Fit Center 4315 is at 5.367946 -3.069833 -0.472083 ESP Fit Center 4316 is at 5.488500 -2.672418 -0.472083 ESP Fit Center 4317 is at 5.570710 -2.259120 -0.893478 ESP Fit Center 4318 is at 5.531676 -1.850337 -0.893478 ESP Fit Center 4319 is at 5.415985 -1.456329 -0.893478 ESP Fit Center 4320 is at 5.227818 -1.091336 -0.893478 ESP Fit Center 4321 is at 3.103310 -4.397134 -0.893478 ESP Fit Center 4322 is at 3.513487 -4.416673 -0.893478 ESP Fit Center 4323 is at 3.919950 -4.358233 -0.893478 ESP Fit Center 4324 is at 4.308007 -4.223925 -0.893478 ESP Fit Center 4325 is at 4.663633 -4.018604 -0.893478 ESP Fit Center 4326 is at 4.973976 -3.749691 -0.893478 ESP Fit Center 4327 is at 5.227818 -3.426904 -0.893478 ESP Fit Center 4328 is at 5.415985 -3.061911 -0.893478 ESP Fit Center 4329 is at 5.531676 -2.667903 -0.893478 ESP Fit Center 4330 is at 5.529207 -2.259120 -1.314873 ESP Fit Center 4331 is at 5.488500 -1.845822 -1.314873 ESP Fit Center 4332 is at 5.367946 -1.448407 -1.314873 ESP Fit Center 4333 is at 5.172176 -1.082147 -1.314873 ESP Fit Center 4334 is at 2.997412 -4.336910 -1.314873 ESP Fit Center 4335 is at 3.410710 -4.377616 -1.314873 ESP Fit Center 4336 is at 3.824009 -4.336910 -1.314873 ESP Fit Center 4337 is at 4.221424 -4.216355 -1.314873 ESP Fit Center 4338 is at 4.587684 -4.020585 -1.314873 ESP Fit Center 4339 is at 4.908714 -3.757123 -1.314873 ESP Fit Center 4340 is at 5.172176 -3.436093 -1.314873 ESP Fit Center 4341 is at 5.367946 -3.069833 -1.314873 ESP Fit Center 4342 is at 5.488500 -2.672418 -1.314873 ESP Fit Center 4343 is at 5.406290 -2.259120 -1.720074 ESP Fit Center 4344 is at 5.362682 -1.844216 -1.720074 ESP Fit Center 4345 is at 5.233763 -1.447445 -1.720074 ESP Fit Center 4346 is at 5.025168 -1.086148 -1.720074 ESP Fit Center 4347 is at 2.794042 -4.157029 -1.720074 ESP Fit Center 4348 is at 3.202116 -4.243768 -1.720074 ESP Fit Center 4349 is at 3.619305 -4.243768 -1.720074 ESP Fit Center 4350 is at 4.027379 -4.157029 -1.720074 ESP Fit Center 4351 is at 4.408500 -3.987343 -1.720074 ESP Fit Center 4352 is at 4.746014 -3.742125 -1.720074 ESP Fit Center 4353 is at 5.025168 -3.432092 -1.720074 ESP Fit Center 4354 is at 5.233763 -3.070795 -1.720074 ESP Fit Center 4355 is at 5.362682 -2.674024 -1.720074 ESP Fit Center 4356 is at 5.206685 -2.259120 -2.093510 ESP Fit Center 4357 is at 5.158274 -1.844940 -2.093510 ESP Fit Center 4358 is at 5.015652 -1.453088 -2.093510 ESP Fit Center 4359 is at 4.786507 -1.104690 -2.093510 ESP Fit Center 4360 is at 2.895619 -3.979645 -2.093510 ESP Fit Center 4361 is at 3.306284 -4.052056 -2.093510 ESP Fit Center 4362 is at 3.722578 -4.027809 -2.093510 ESP Fit Center 4363 is at 4.122060 -3.908213 -2.093510 ESP Fit Center 4364 is at 4.483192 -3.699713 -2.093510 ESP Fit Center 4365 is at 4.786507 -3.413550 -2.093510 ESP Fit Center 4366 is at 5.015652 -3.065152 -2.093510 ESP Fit Center 4367 is at 5.158274 -2.673300 -2.093510 ESP Fit Center 4368 is at 4.938061 -2.259120 -2.420829 ESP Fit Center 4369 is at 4.881423 -1.847046 -2.420829 ESP Fit Center 4370 is at 4.715709 -1.465533 -2.420829 ESP Fit Center 4371 is at 4.453208 -1.142877 -2.420829 ESP Fit Center 4372 is at 3.306480 -3.782910 -2.420829 ESP Fit Center 4373 is at 3.721459 -3.754525 -2.420829 ESP Fit Center 4374 is at 4.113391 -3.615232 -2.420829 ESP Fit Center 4375 is at 4.453208 -3.375363 -2.420829 ESP Fit Center 4376 is at 4.715709 -3.052707 -2.420829 ESP Fit Center 4377 is at 4.881423 -2.671194 -2.420829 ESP Fit Center 4378 is at 4.610742 -2.259120 -2.689452 ESP Fit Center 4379 is at 4.538371 -1.848685 -2.689452 ESP Fit Center 4380 is at 4.329988 -1.487754 -2.689452 ESP Fit Center 4381 is at 4.010726 -1.219862 -2.689452 ESP Fit Center 4382 is at 3.202327 -3.440920 -2.689452 ESP Fit Center 4383 is at 3.619094 -3.440920 -2.689452 ESP Fit Center 4384 is at 4.010726 -3.298378 -2.689452 ESP Fit Center 4385 is at 4.329988 -3.030485 -2.689452 ESP Fit Center 4386 is at 4.538371 -2.669555 -2.689452 ESP Fit Center 4387 is at 4.237307 -2.259120 -2.889058 ESP Fit Center 4388 is at 4.126564 -1.845822 -2.889058 ESP Fit Center 4389 is at 3.824009 -1.543267 -2.889058 ESP Fit Center 4390 is at 3.410710 -3.085716 -2.889058 ESP Fit Center 4391 is at 3.824009 -2.974973 -2.889058 ESP Fit Center 4392 is at 4.126564 -2.672418 -2.889058 ESP Fit Center 4393 is at 3.832106 -2.259120 -3.011974 ESP Fit Center 4394 is at 3.621408 -2.624059 -3.011974 ESP Fit Center 4395 is at -4.321008 -1.407747 2.307383 ESP Fit Center 4396 is at -3.929586 -1.550213 2.307383 ESP Fit Center 4397 is at -4.921973 -1.345855 2.079743 ESP Fit Center 4398 is at -4.613909 -1.633566 2.079743 ESP Fit Center 4399 is at -4.239646 -1.827494 2.079743 ESP Fit Center 4400 is at -5.463527 -1.003161 1.797858 ESP Fit Center 4401 is at -5.270329 -1.387850 1.797858 ESP Fit Center 4402 is at -4.993623 -1.717616 1.797858 ESP Fit Center 4403 is at -4.648327 -1.974679 1.797858 ESP Fit Center 4404 is at -4.253055 -2.145183 1.797858 ESP Fit Center 4405 is at -5.820150 -0.582478 1.469418 ESP Fit Center 4406 is at -5.734223 -1.000602 1.469418 ESP Fit Center 4407 is at -5.565888 -1.392869 1.469418 ESP Fit Center 4408 is at -5.322036 -1.743221 1.469418 ESP Fit Center 4409 is at -5.012650 -2.037315 1.469418 ESP Fit Center 4410 is at -4.650396 -2.263109 1.469418 ESP Fit Center 4411 is at -5.989769 0.055000 1.103381 ESP Fit Center 4412 is at -6.029063 -0.369047 1.103381 ESP Fit Center 4413 is at -5.989769 -0.793095 1.103381 ESP Fit Center 4414 is at -5.873226 -1.202702 1.103381 ESP Fit Center 4415 is at -5.683402 -1.583920 1.103381 ESP Fit Center 4416 is at -5.426761 -1.923768 1.103381 ESP Fit Center 4417 is at -5.112044 -2.210671 1.103381 ESP Fit Center 4418 is at -4.749967 -2.434859 1.103381 ESP Fit Center 4419 is at -5.836918 0.852397 0.709732 ESP Fit Center 4420 is at -6.016879 0.466470 0.709732 ESP Fit Center 4421 is at -6.127090 0.055156 0.709732 ESP Fit Center 4422 is at -6.164203 -0.369047 0.709732 ESP Fit Center 4423 is at -6.127090 -0.793250 0.709732 ESP Fit Center 4424 is at -6.016879 -1.204564 0.709732 ESP Fit Center 4425 is at -5.836918 -1.590492 0.709732 ESP Fit Center 4426 is at -5.592676 -1.939306 0.709732 ESP Fit Center 4427 is at -5.291573 -2.240409 0.709732 ESP Fit Center 4428 is at -4.942759 -2.484651 0.709732 ESP Fit Center 4429 is at -5.534430 1.368683 0.299209 ESP Fit Center 4430 is at -5.802028 1.037269 0.299209 ESP Fit Center 4431 is at -6.009767 0.665399 0.299209 ESP Fit Center 4432 is at -6.151672 0.263769 0.299209 ESP Fit Center 4433 is at -6.223660 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at -3.562299 0.599671 3.066917 ESP Fit Center 4758 is at -3.983694 0.599671 3.066917 ESP Fit Center 4759 is at -4.194392 0.234732 3.066917 ESP Fit Center 4760 is at -3.983694 -0.130207 3.066917 ESP Fit Center 4761 is at -3.562299 -0.130207 3.066917 ESP Fit Center 4762 is at -2.946401 0.234732 2.944001 ESP Fit Center 4763 is at -3.057143 0.648030 2.944001 ESP Fit Center 4764 is at -3.359699 0.950586 2.944001 ESP Fit Center 4765 is at -3.772997 1.061328 2.944001 ESP Fit Center 4766 is at -4.186295 0.950586 2.944001 ESP Fit Center 4767 is at -4.488850 0.648030 2.944001 ESP Fit Center 4768 is at -4.599593 0.234732 2.944001 ESP Fit Center 4769 is at -4.488850 -0.178566 2.944001 ESP Fit Center 4770 is at -4.186295 -0.481121 2.944001 ESP Fit Center 4771 is at -3.772997 -0.591864 2.944001 ESP Fit Center 4772 is at -3.359699 -0.481121 2.944001 ESP Fit Center 4773 is at -3.057143 -0.178566 2.944001 ESP Fit Center 4774 is at -2.572965 0.234732 2.744395 ESP Fit Center 4775 is at -2.645336 0.645167 2.744395 ESP Fit Center 4776 is at -2.853719 1.006098 2.744395 ESP Fit Center 4777 is at -3.172981 1.273990 2.744395 ESP Fit Center 4778 is at -3.564613 1.416533 2.744395 ESP Fit Center 4779 is at -3.981380 1.416533 2.744395 ESP Fit Center 4780 is at -4.373013 1.273990 2.744395 ESP Fit Center 4781 is at -4.692274 1.006098 2.744395 ESP Fit Center 4782 is at -4.900658 0.645167 2.744395 ESP Fit Center 4783 is at -4.973028 0.234732 2.744395 ESP Fit Center 4784 is at -4.900658 -0.175703 2.744395 ESP Fit Center 4785 is at -4.692274 -0.536633 2.744395 ESP Fit Center 4786 is at -4.373013 -0.804526 2.744395 ESP Fit Center 4787 is at -3.981380 -0.947068 2.744395 ESP Fit Center 4788 is at -3.564613 -0.947068 2.744395 ESP Fit Center 4789 is at -3.172981 -0.804526 2.744395 ESP Fit Center 4790 is at -2.853719 -0.536633 2.744395 ESP Fit Center 4791 is at -2.645336 -0.175703 2.744395 ESP Fit Center 4792 is at -2.245646 0.234732 2.475772 ESP Fit Center 4793 is at -2.302284 0.646807 2.475772 ESP Fit Center 4794 is at -2.467999 1.028319 2.475772 ESP Fit Center 4795 is at -3.070316 1.590844 2.475772 ESP Fit Center 4796 is at -3.462248 1.730137 2.475772 ESP Fit Center 4797 is at -3.877227 1.758522 2.475772 ESP Fit Center 4798 is at -4.284475 1.673895 2.475772 ESP Fit Center 4799 is at -4.653790 1.482532 2.475772 ESP Fit Center 4800 is at -4.957780 1.198625 2.475772 ESP Fit Center 4801 is at -5.173900 0.843230 2.475772 ESP Fit Center 4802 is at -5.286122 0.442707 2.475772 ESP Fit Center 4803 is at -5.286122 0.026758 2.475772 ESP Fit Center 4804 is at -5.173900 -0.373766 2.475772 ESP Fit Center 4805 is at -4.957780 -0.729160 2.475772 ESP Fit Center 4806 is at -4.653790 -1.013067 2.475772 ESP Fit Center 4807 is at -4.284475 -1.204431 2.475772 ESP Fit Center 4808 is at -3.877227 -1.289058 2.475772 ESP Fit Center 4809 is at -3.877423 2.027668 2.148453 ESP Fit Center 4810 is at -4.288088 1.955257 2.148453 ESP Fit Center 4811 is at -4.670984 1.790092 2.148453 ESP Fit Center 4812 is at -5.005469 1.541077 2.148453 ESP Fit Center 4813 is at -5.273511 1.221636 2.148453 ESP Fit Center 4814 is at -5.460661 0.848992 2.148453 ESP Fit Center 4815 is at -5.556827 0.443232 2.148453 ESP Fit Center 4816 is at -5.556827 0.026232 2.148453 ESP Fit Center 4817 is at -5.460661 -0.379527 2.148453 ESP Fit Center 4818 is at -5.273511 -0.752172 2.148453 ESP Fit Center 4819 is at -5.005469 -1.071612 2.148453 ESP Fit Center 4820 is at -4.389665 2.132641 1.775017 ESP Fit Center 4821 is at -4.770787 1.962955 1.775017 ESP Fit Center 4822 is at -5.108300 1.717737 1.775017 ESP Fit Center 4823 is at -5.387455 1.407705 1.775017 ESP Fit Center 4824 is at -5.596050 1.046408 1.775017 ESP Fit Center 4825 is at -5.724968 0.649637 1.775017 ESP Fit Center 4826 is at -5.768577 0.234732 1.775017 ESP Fit Center 4827 is at -5.724968 -0.180172 1.775017 ESP Fit Center 4828 is at -5.596050 -0.576943 1.775017 ESP Fit Center 4829 is at -4.583710 2.191968 1.369816 ESP Fit Center 4830 is at -4.949970 1.996198 1.369816 ESP Fit Center 4831 is at -5.271000 1.732735 1.369816 ESP Fit Center 4832 is at -5.534462 1.411706 1.369816 ESP Fit Center 4833 is at -5.730232 1.045446 1.369816 ESP Fit Center 4834 is at -5.850787 0.648030 1.369816 ESP Fit Center 4835 is at -5.891493 0.234732 1.369816 ESP Fit Center 4836 is at -4.852997 2.105347 0.948421 ESP Fit Center 4837 is at -5.187496 1.867151 0.948421 ESP Fit Center 4838 is at -5.470871 1.569956 0.948421 ESP Fit Center 4839 is at -5.692881 1.224502 0.948421 ESP Fit Center 4840 is at -5.845502 0.843275 0.948421 ESP Fit Center 4841 is at -4.949970 1.996198 0.527026 ESP Fit Center 4842 is at -5.271000 1.732735 0.527026 ESP Fit Center 4843 is at -5.534462 1.411706 0.527026 ESP Fit Center 4844 is at 2.165743 0.151267 -3.090071 ESP Fit Center 4845 is at 1.869486 -0.144991 -3.090071 ESP Fit Center 4846 is at 2.366189 -0.195914 -3.173377 ESP Fit Center 4847 is at 3.643874 -0.722019 4.131746 ESP Fit Center 4848 is at 3.031124 -1.075791 4.131746 ESP Fit Center 4849 is at 3.439624 -1.075791 4.131746 ESP Fit Center 4850 is at 4.044764 -0.722019 4.048440 ESP Fit Center 4851 is at 3.936327 -0.317324 4.048440 ESP Fit Center 4852 is at 2.534421 -1.126714 4.048440 ESP Fit Center 4853 is at 2.830679 -1.422972 4.048440 ESP Fit Center 4854 is at 3.235374 -1.531410 4.048440 ESP Fit Center 4855 is at 3.640069 -1.422972 4.048440 ESP Fit Center 4856 is at 3.936327 -1.126714 4.048440 ESP Fit Center 4857 is at 4.430577 -0.722019 3.911322 ESP Fit Center 4858 is at 4.358498 -0.313236 3.911322 ESP Fit Center 4859 is at 2.112250 -1.130803 3.911322 ESP Fit Center 4860 is at 2.319795 -1.490281 3.911322 ESP Fit Center 4861 is at 2.637772 -1.757096 3.911322 ESP Fit Center 4862 is at 3.027829 -1.899065 3.911322 ESP Fit Center 4863 is at 3.442919 -1.899065 3.911322 ESP Fit Center 4864 is at 3.832976 -1.757096 3.911322 ESP Fit Center 4865 is at 4.150953 -1.490281 3.911322 ESP Fit Center 4866 is at 4.358498 -1.130803 3.911322 ESP Fit Center 4867 is at 4.794126 -0.722019 3.722946 ESP Fit Center 4868 is at 4.736323 -0.301473 3.722946 ESP Fit Center 4869 is at 4.567202 0.087883 3.722946 ESP Fit Center 4870 is at 1.805669 -1.343028 3.722946 ESP Fit Center 4871 is at 2.026233 -1.705729 3.722946 ESP Fit Center 4872 is at 3.952501 -2.106012 3.722946 ESP Fit Center 4873 is at 4.299305 -1.861211 3.722946 ESP Fit Center 4874 is at 4.567202 -1.531922 3.722946 ESP Fit Center 4875 is at 4.736323 -1.142566 3.722946 ESP Fit Center 4876 is at 5.128638 -0.722019 3.486822 ESP Fit Center 4877 is at 5.084374 -0.315024 3.486822 ESP Fit Center 4878 is at 4.953654 0.072942 3.486822 ESP Fit Center 4879 is at 4.742588 0.423735 3.486822 ESP Fit Center 4880 is at 1.441217 -1.326541 3.486822 ESP Fit Center 4881 is at 1.613117 -1.698099 3.486822 ESP Fit Center 4882 is at 4.461047 -2.164993 3.486822 ESP Fit Center 4883 is at 4.742588 -1.867774 3.486822 ESP Fit Center 4884 is at 4.953654 -1.516980 3.486822 ESP Fit Center 4885 is at 5.084374 -1.129015 3.486822 ESP Fit Center 4886 is at 5.270828 0.092854 3.207348 ESP Fit Center 4887 is at 5.079829 0.463340 3.207348 ESP Fit Center 4888 is at 4.822167 0.790984 3.207348 ESP Fit Center 4889 is at 1.052794 -0.930430 3.207348 ESP Fit Center 4890 is at 1.131678 -1.339720 3.207348 ESP Fit Center 4891 is at 1.286595 -1.726685 3.207348 ESP Fit Center 4892 is at 4.822167 -2.235023 3.207348 ESP Fit Center 4893 is at 5.079829 -1.907379 3.207348 ESP Fit Center 4894 is at 5.270828 -1.536892 3.207348 ESP Fit Center 4895 is at 5.388260 -1.136954 3.207348 ESP Fit Center 4896 is at 5.142269 0.817691 2.889729 ESP Fit Center 4897 is at 4.854628 1.117811 2.889729 ESP Fit Center 4898 is at 0.793294 -0.929871 2.889729 ESP Fit Center 4899 is at 0.863548 -1.339595 2.889729 ESP Fit Center 4900 is at 1.002035 -1.731552 2.889729 ESP Fit Center 4901 is at 4.854628 -2.561849 2.889729 ESP Fit Center 4902 is at 5.142269 -2.261730 2.889729 ESP Fit Center 4903 is at 5.375053 -1.917316 2.889729 ESP Fit Center 4904 is at 5.118863 1.161470 2.539883 ESP Fit Center 4905 is at 4.801032 1.432923 2.539883 ESP Fit Center 4906 is at 5.118863 -2.605508 2.539883 ESP Fit Center 4907 is at 5.390317 -2.287677 2.539883 ESP Fit Center 4908 is at 5.043591 1.450779 2.164327 ESP Fit Center 4909 is at 4.707959 1.690903 2.164327 ESP Fit Center 4910 is at 4.340942 1.879599 2.164327 ESP Fit Center 4911 is at 5.043591 -2.894818 2.164327 ESP Fit Center 4912 is at 5.340683 -2.608385 2.164327 ESP Fit Center 4913 is at 4.877865 1.713073 1.770056 ESP Fit Center 4914 is at 4.522981 1.917966 1.770056 ESP Fit Center 4915 is at 4.143035 2.071474 1.770056 ESP Fit Center 4916 is at 5.200779 -2.904823 1.770056 ESP Fit Center 4917 is at 5.485440 -2.610049 1.770056 ESP Fit Center 4918 is at 4.909042 1.759295 1.364415 ESP Fit Center 4919 is at 4.547422 1.968077 1.364415 ESP Fit Center 4920 is at 5.238086 -2.946256 1.364415 ESP Fit Center 4921 is at 4.909042 1.759295 0.954961 ESP Fit Center 4922 is at 4.909042 -3.203334 0.954961 ESP Fit Center 4923 is at 5.238086 -2.946256 0.954961 ESP Fit Center 4924 is at 4.877865 1.713073 0.549320 ESP Fit Center 4925 is at 1.360876 -3.732785 0.961495 ESP Fit Center 4926 is at 1.739447 -3.905673 0.961495 ESP Fit Center 4927 is at 2.143895 -4.003791 0.961495 ESP Fit Center 4928 is at 2.559603 -4.023593 0.961495 ESP Fit Center 4929 is at 1.363754 -4.002175 0.615723 ESP Fit Center 4930 is at 1.745383 -4.155526 0.615723 ESP Fit Center 4931 is at 2.147438 -4.242176 0.615723 ESP Fit Center 4932 is at 2.558355 -4.259631 0.615723 ESP Fit Center 4933 is at 2.966310 -4.207390 0.615723 ESP Fit Center 4934 is at 1.272138 -4.159306 0.238678 ESP Fit Center 4935 is at 1.650004 -4.315823 0.238678 ESP Fit Center 4936 is at 2.047702 -4.411302 0.238678 ESP Fit Center 4937 is at 2.455440 -4.443391 0.238678 ESP Fit Center 4938 is at 2.863178 -4.411302 0.238678 ESP Fit Center 4939 is at 0.971611 -4.128243 -0.161218 ESP Fit Center 4940 is at 1.338765 -4.327896 -0.161218 ESP Fit Center 4941 is at 1.732094 -4.469162 -0.161218 ESP Fit Center 4942 is at 2.142378 -4.548732 -0.161218 ESP Fit Center 4943 is at 2.559999 -4.564740 -0.161218 ESP Fit Center 4944 is at 2.975170 -4.516810 -0.161218 ESP Fit Center 4945 is at 1.059355 -4.255036 -0.575032 ESP Fit Center 4946 is at 1.435346 -4.436103 -0.575032 ESP Fit Center 4947 is at 1.834124 -4.559110 -0.575032 ESP Fit Center 4948 is at 2.246781 -4.621308 -0.575032 ESP Fit Center 4949 is at 2.664099 -4.621308 -0.575032 ESP Fit Center 4950 is at 0.714550 -4.019952 -0.993521 ESP Fit Center 4951 is at 1.059355 -4.255036 -0.993521 ESP Fit Center 4952 is at 1.435346 -4.436103 -0.993521 ESP Fit Center 4953 is at 1.834124 -4.559110 -0.993521 ESP Fit Center 4954 is at 2.246781 -4.621308 -0.993521 ESP Fit Center 4955 is at 2.664099 -4.621308 -0.993521 ESP Fit Center 4956 is at 0.639235 -3.874884 -1.407335 ESP Fit Center 4957 is at 0.971611 -4.128243 -1.407335 ESP Fit Center 4958 is at 1.338765 -4.327896 -1.407335 ESP Fit Center 4959 is at 1.732094 -4.469162 -1.407335 ESP Fit Center 4960 is at 2.142378 -4.548732 -1.407335 ESP Fit Center 4961 is at 2.559999 -4.564740 -1.407335 ESP Fit Center 4962 is at 0.612404 -3.679981 -1.807231 ESP Fit Center 4963 is at 0.923409 -3.945604 -1.807231 ESP Fit Center 4964 is at 1.272138 -4.159306 -1.807231 ESP Fit Center 4965 is at 1.650004 -4.315823 -1.807231 ESP Fit Center 4966 is at 2.047702 -4.411302 -1.807231 ESP Fit Center 4967 is at 2.455440 -4.443391 -1.807231 ESP Fit Center 4968 is at 2.863178 -4.411302 -1.807231 ESP Fit Center 4969 is at 0.446411 -3.194812 -2.184277 ESP Fit Center 4970 is at 0.704790 -3.514807 -2.184277 ESP Fit Center 4971 is at 1.013531 -3.786534 -2.184277 ESP Fit Center 4972 is at 1.363754 -4.002175 -2.184277 ESP Fit Center 4973 is at 1.745383 -4.155526 -2.184277 ESP Fit Center 4974 is at 2.147438 -4.242176 -2.184277 ESP Fit Center 4975 is at 2.558355 -4.259631 -2.184277 ESP Fit Center 4976 is at 0.509666 -2.840061 -2.530048 ESP Fit Center 4977 is at 0.734669 -3.190174 -2.530048 ESP Fit Center 4978 is at 1.021866 -3.491377 -2.530048 ESP Fit Center 4979 is at 1.360876 -3.732785 -2.530048 ESP Fit Center 4980 is at 1.739447 -3.905673 -2.530048 ESP Fit Center 4981 is at 2.143895 -4.003791 -2.530048 ESP Fit Center 4982 is at 2.559603 -4.023593 -2.530048 ESP Fit Center 4983 is at 2.971547 -3.964365 -2.530048 ESP Fit Center 4984 is at 4.183903 -1.037273 -2.836822 ESP Fit Center 4985 is at 0.562121 -2.042856 -2.836822 ESP Fit Center 4986 is at 0.650650 -2.445049 -2.836822 ESP Fit Center 4987 is at 0.823570 -2.818809 -2.836822 ESP Fit Center 4988 is at 1.072794 -3.146657 -2.836822 ESP Fit Center 4989 is at 1.386669 -3.413265 -2.836822 ESP Fit Center 4990 is at 1.750518 -3.606166 -2.836822 ESP Fit Center 4991 is at 2.147329 -3.716340 -2.836822 ESP Fit Center 4992 is at 2.558547 -3.738635 -2.836822 ESP Fit Center 4993 is at 2.964944 -3.672010 -2.836822 ESP Fit Center 4994 is at 3.978991 -1.428711 -3.097745 ESP Fit Center 4995 is at 3.821419 -1.048297 -3.097745 ESP Fit Center 4996 is at 1.666792 -0.470966 -3.097745 ESP Fit Center 4997 is at 1.340123 -0.721628 -3.097745 ESP Fit Center 4998 is at 1.089462 -1.048297 -3.097745 ESP Fit Center 4999 is at 0.931889 -1.428711 -3.097745 ESP Fit Center 5000 is at 0.878144 -1.836945 -3.097745 ESP Fit Center 5001 is at 0.931889 -2.245179 -3.097745 ESP Fit Center 5002 is at 1.089462 -2.625593 -3.097745 ESP Fit Center 5003 is at 1.340123 -2.952262 -3.097745 ESP Fit Center 5004 is at 1.666792 -3.202923 -3.097745 ESP Fit Center 5005 is at 2.047206 -3.360496 -3.097745 ESP Fit Center 5006 is at 2.455440 -3.414241 -3.097745 ESP Fit Center 5007 is at 2.863675 -3.360496 -3.097745 ESP Fit Center 5008 is at 3.244088 -3.202923 -3.097745 ESP Fit Center 5009 is at 3.670315 -1.836945 -3.306989 ESP Fit Center 5010 is at 3.597049 -1.421433 -3.306989 ESP Fit Center 5011 is at 3.386088 -1.056039 -3.306989 ESP Fit Center 5012 is at 3.062877 -0.784833 -3.306989 ESP Fit Center 5013 is at 2.666401 -0.640527 -3.306989 ESP Fit Center 5014 is at 2.244480 -0.640527 -3.306989 ESP Fit Center 5015 is at 1.848003 -0.784833 -3.306989 ESP Fit Center 5016 is at 1.524792 -1.056039 -3.306989 ESP Fit Center 5017 is at 1.313832 -1.421433 -3.306989 ESP Fit Center 5018 is at 1.240566 -1.836945 -3.306989 ESP Fit Center 5019 is at 1.313832 -2.252456 -3.306989 ESP Fit Center 5020 is at 1.524792 -2.617851 -3.306989 ESP Fit Center 5021 is at 1.848003 -2.889057 -3.306989 ESP Fit Center 5022 is at 2.244480 -3.033363 -3.306989 ESP Fit Center 5023 is at 2.666401 -3.033363 -3.306989 ESP Fit Center 5024 is at 3.062877 -2.889057 -3.306989 ESP Fit Center 5025 is at 3.386088 -2.617851 -3.306989 ESP Fit Center 5026 is at 3.597049 -2.252456 -3.306989 ESP Fit Center 5027 is at 3.280755 -1.836945 -3.459880 ESP Fit Center 5028 is at 3.170184 -1.424288 -3.459880 ESP Fit Center 5029 is at 2.868098 -1.122202 -3.459880 ESP Fit Center 5030 is at 2.455440 -1.011630 -3.459880 ESP Fit Center 5031 is at 2.042783 -1.122202 -3.459880 ESP Fit Center 5032 is at 1.740697 -1.424288 -3.459880 ESP Fit Center 5033 is at 1.630126 -1.836945 -3.459880 ESP Fit Center 5034 is at 1.740697 -2.249602 -3.459880 ESP Fit Center 5035 is at 2.042783 -2.551688 -3.459880 ESP Fit Center 5036 is at 2.455440 -2.662259 -3.459880 ESP Fit Center 5037 is at 2.868098 -2.551688 -3.459880 ESP Fit Center 5038 is at 3.170184 -2.249602 -3.459880 ESP Fit Center 5039 is at 2.872759 -1.836945 -3.553003 ESP Fit Center 5040 is at 2.664099 -1.475537 -3.553003 ESP Fit Center 5041 is at 2.246781 -1.475537 -3.553003 ESP Fit Center 5042 is at 2.038122 -1.836945 -3.553003 ESP Fit Center 5043 is at 2.246781 -2.198353 -3.553003 ESP Fit Center 5044 is at 2.664099 -2.198353 -3.553003 ESP Fit Center 5045 is at 2.455440 -1.836945 -3.584277 ESP Fit Center 5046 is at -2.413912 1.806009 2.830918 ESP Fit Center 5047 is at -2.205252 2.167418 2.799644 ESP Fit Center 5048 is at -2.622571 2.167418 2.799644 ESP Fit Center 5049 is at -2.831230 1.806009 2.799644 ESP Fit Center 5050 is at -2.622571 1.444601 2.799644 ESP Fit Center 5051 is at -2.001254 2.520753 2.706522 ESP Fit Center 5052 is at -2.413912 2.631324 2.706522 ESP Fit Center 5053 is at -2.826569 2.520753 2.706522 ESP Fit Center 5054 is at -3.128655 2.218667 2.706522 ESP Fit Center 5055 is at -3.239226 1.806009 2.706522 ESP Fit Center 5056 is at -1.806474 2.858122 2.553631 ESP Fit Center 5057 is at -2.202951 3.002427 2.553631 ESP Fit Center 5058 is at -2.624872 3.002427 2.553631 ESP Fit Center 5059 is at -3.021349 2.858122 2.553631 ESP Fit Center 5060 is at -3.344559 2.586916 2.553631 ESP Fit Center 5061 is at -3.555520 2.221521 2.553631 ESP Fit Center 5062 is at -1.625264 3.171988 2.344387 ESP Fit Center 5063 is at -2.005677 3.329561 2.344387 ESP Fit Center 5064 is at -2.413912 3.383306 2.344387 ESP Fit Center 5065 is at -2.822146 3.329561 2.344387 ESP Fit Center 5066 is at -3.202560 3.171988 2.344387 ESP Fit Center 5067 is at -3.529228 2.921326 2.344387 ESP Fit Center 5068 is at -3.779890 2.594658 2.344387 ESP Fit Center 5069 is at -3.937463 2.214244 2.344387 ESP Fit Center 5070 is at -1.904408 3.641075 2.083463 ESP Fit Center 5071 is at -2.310805 3.707700 2.083463 ESP Fit Center 5072 is at -2.722023 3.685404 2.083463 ESP Fit Center 5073 is at -3.118834 3.575230 2.083463 ESP Fit Center 5074 is at -3.482683 3.382330 2.083463 ESP Fit Center 5075 is at -3.796558 3.115722 2.083463 ESP Fit Center 5076 is at -4.045782 2.787873 2.083463 ESP Fit Center 5077 is at -4.218702 2.414114 2.083463 ESP Fit Center 5078 is at -1.897805 3.933430 1.776689 ESP Fit Center 5079 is at -2.309749 3.992658 1.776689 ESP Fit Center 5080 is at -2.725457 3.972855 1.776689 ESP Fit Center 5081 is at -3.129905 3.874737 1.776689 ESP Fit Center 5082 is at -3.508476 3.701850 1.776689 ESP Fit Center 5083 is at -3.847486 3.460442 1.776689 ESP Fit Center 5084 is at -4.134683 3.159239 1.776689 ESP Fit Center 5085 is at -4.359686 2.809126 1.776689 ESP Fit Center 5086 is at -4.514365 2.422758 1.776689 ESP Fit Center 5087 is at -1.903042 4.176455 1.430918 ESP Fit Center 5088 is at -2.310997 4.228696 1.430918 ESP Fit Center 5089 is at -2.721913 4.211240 1.430918 ESP Fit Center 5090 is at -3.123969 4.124591 1.430918 ESP Fit Center 5091 is at -3.505598 3.971240 1.430918 ESP Fit Center 5092 is at -3.855820 3.755599 1.430918 ESP Fit Center 5093 is at -4.164562 3.483872 1.430918 ESP Fit Center 5094 is at -4.422941 3.163876 1.430918 ESP Fit Center 5095 is at -4.623523 2.804817 1.430918 ESP Fit Center 5096 is at -4.760539 2.417024 1.430918 ESP Fit Center 5097 is at -2.006174 4.380366 1.053873 ESP Fit Center 5098 is at -2.413912 4.412456 1.053873 ESP Fit Center 5099 is at -2.821650 4.380366 1.053873 ESP Fit Center 5100 is at -3.219348 4.284887 1.053873 ESP Fit Center 5101 is at -3.597214 4.128370 1.053873 ESP Fit Center 5102 is at -3.945942 3.914669 1.053873 ESP Fit Center 5103 is at -4.256948 3.649045 1.053873 ESP Fit Center 5104 is at -4.522571 3.338040 1.053873 ESP Fit Center 5105 is at -4.736272 2.989311 1.053873 ESP Fit Center 5106 is at -4.892790 2.611446 1.053873 ESP Fit Center 5107 is at -2.309353 4.533804 0.653977 ESP Fit Center 5108 is at -2.726974 4.517797 0.653977 ESP Fit Center 5109 is at -3.137258 4.438227 0.653977 ESP Fit Center 5110 is at -3.530586 4.296960 0.653977 ESP Fit Center 5111 is at -3.897741 4.097308 0.653977 ESP Fit Center 5112 is at -4.230117 3.843949 0.653977 ESP Fit Center 5113 is at -4.519921 3.542823 0.653977 ESP Fit Center 5114 is at -4.760363 3.200987 0.653977 ESP Fit Center 5115 is at -4.945806 2.826455 0.653977 ESP Fit Center 5116 is at -5.071904 2.428004 0.653977 ESP Fit Center 5117 is at -2.205252 4.590373 0.240162 ESP Fit Center 5118 is at -2.622571 4.590373 0.240162 ESP Fit Center 5119 is at -3.035228 4.528175 0.240162 ESP Fit Center 5120 is at -3.434006 4.405168 0.240162 ESP Fit Center 5121 is at -3.809997 4.224100 0.240162 ESP Fit Center 5122 is at -4.154802 3.989016 0.240162 ESP Fit Center 5123 is at -4.460718 3.705168 0.240162 ESP Fit Center 5124 is at -4.720911 3.378895 0.240162 ESP Fit Center 5125 is at -4.929570 3.017487 0.240162 ESP Fit Center 5126 is at -5.082034 2.629016 0.240162 ESP Fit Center 5127 is at -5.174896 2.222161 0.240162 ESP Fit Center 5128 is at -2.205252 4.590373 -0.178326 ESP Fit Center 5129 is at -2.622571 4.590373 -0.178326 ESP Fit Center 5130 is at -3.035228 4.528175 -0.178326 ESP Fit Center 5131 is at -3.434006 4.405168 -0.178326 ESP Fit Center 5132 is at -3.809997 4.224100 -0.178326 ESP Fit Center 5133 is at -4.154802 3.989016 -0.178326 ESP Fit Center 5134 is at -4.460718 3.705168 -0.178326 ESP Fit Center 5135 is at -4.720911 3.378895 -0.178326 ESP Fit Center 5136 is at -4.929570 3.017487 -0.178326 ESP Fit Center 5137 is at -5.082034 2.629016 -0.178326 ESP Fit Center 5138 is at -5.174896 2.222161 -0.178326 ESP Fit Center 5139 is at -2.309353 4.533804 -0.592141 ESP Fit Center 5140 is at -2.726974 4.517797 -0.592141 ESP Fit Center 5141 is at -3.137258 4.438227 -0.592141 ESP Fit Center 5142 is at -3.530586 4.296960 -0.592141 ESP Fit Center 5143 is at -3.897741 4.097308 -0.592141 ESP Fit Center 5144 is at -4.230117 3.843949 -0.592141 ESP Fit Center 5145 is at -4.519921 3.542823 -0.592141 ESP Fit Center 5146 is at -4.760363 3.200987 -0.592141 ESP Fit Center 5147 is at -4.945806 2.826455 -0.592141 ESP Fit Center 5148 is at -5.071904 2.428004 -0.592141 ESP Fit Center 5149 is at -5.135700 2.014973 -0.592141 ESP Fit Center 5150 is at -2.006174 4.380366 -0.992037 ESP Fit Center 5151 is at -2.413912 4.412456 -0.992037 ESP Fit Center 5152 is at -2.821650 4.380366 -0.992037 ESP Fit Center 5153 is at -3.219348 4.284887 -0.992037 ESP Fit Center 5154 is at -3.597214 4.128370 -0.992037 ESP Fit Center 5155 is at -3.945942 3.914669 -0.992037 ESP Fit Center 5156 is at -4.256948 3.649045 -0.992037 ESP Fit Center 5157 is at -4.522571 3.338040 -0.992037 ESP Fit Center 5158 is at -4.736272 2.989311 -0.992037 ESP Fit Center 5159 is at -4.892790 2.611446 -0.992037 ESP Fit Center 5160 is at -4.988268 2.213748 -0.992037 ESP Fit Center 5161 is at -1.903042 4.176455 -1.369082 ESP Fit Center 5162 is at -2.310997 4.228696 -1.369082 ESP Fit Center 5163 is at -2.721913 4.211240 -1.369082 ESP Fit Center 5164 is at -3.123969 4.124591 -1.369082 ESP Fit Center 5165 is at -3.505598 3.971240 -1.369082 ESP Fit Center 5166 is at -3.855820 3.755599 -1.369082 ESP Fit Center 5167 is at -4.164562 3.483872 -1.369082 ESP Fit Center 5168 is at -4.422941 3.163876 -1.369082 ESP Fit Center 5169 is at -4.623523 2.804817 -1.369082 ESP Fit Center 5170 is at -4.760539 2.417024 -1.369082 ESP Fit Center 5171 is at -4.830047 2.011653 -1.369082 ESP Fit Center 5172 is at -1.897805 3.933430 -1.714853 ESP Fit Center 5173 is at -2.309749 3.992658 -1.714853 ESP Fit Center 5174 is at -2.725457 3.972855 -1.714853 ESP Fit Center 5175 is at -3.129905 3.874737 -1.714853 ESP Fit Center 5176 is at -3.508476 3.701850 -1.714853 ESP Fit Center 5177 is at -3.847486 3.460442 -1.714853 ESP Fit Center 5178 is at -4.134683 3.159239 -1.714853 ESP Fit Center 5179 is at -4.359686 2.809126 -1.714853 ESP Fit Center 5180 is at -4.514365 2.422758 -1.714853 ESP Fit Center 5181 is at -4.593127 2.014099 -1.714853 ESP Fit Center 5182 is at -4.593127 1.597920 -1.714853 ESP Fit Center 5183 is at -1.904408 3.641075 -2.021627 ESP Fit Center 5184 is at -2.310805 3.707700 -2.021627 ESP Fit Center 5185 is at -2.722023 3.685404 -2.021627 ESP Fit Center 5186 is at -3.118834 3.575230 -2.021627 ESP Fit Center 5187 is at -3.482683 3.382330 -2.021627 ESP Fit Center 5188 is at -3.796558 3.115722 -2.021627 ESP Fit Center 5189 is at -4.045782 2.787873 -2.021627 ESP Fit Center 5190 is at -4.218702 2.414114 -2.021627 ESP Fit Center 5191 is at -4.307231 2.011920 -2.021627 ESP Fit Center 5192 is at -4.307231 1.600099 -2.021627 ESP Fit Center 5193 is at -2.005677 3.329561 -2.282551 ESP Fit Center 5194 is at -2.413912 3.383306 -2.282551 ESP Fit Center 5195 is at -2.822146 3.329561 -2.282551 ESP Fit Center 5196 is at -3.202560 3.171988 -2.282551 ESP Fit Center 5197 is at -3.529228 2.921326 -2.282551 ESP Fit Center 5198 is at -3.779890 2.594658 -2.282551 ESP Fit Center 5199 is at -3.937463 2.214244 -2.282551 ESP Fit Center 5200 is at -3.991208 1.806009 -2.282551 ESP Fit Center 5201 is at -3.937463 1.397775 -2.282551 ESP Fit Center 5202 is at -2.202951 3.002427 -2.491795 ESP Fit Center 5203 is at -2.624872 3.002427 -2.491795 ESP Fit Center 5204 is at -3.021349 2.858122 -2.491795 ESP Fit Center 5205 is at -3.344559 2.586916 -2.491795 ESP Fit Center 5206 is at -3.555520 2.221521 -2.491795 ESP Fit Center 5207 is at -3.628786 1.806009 -2.491795 ESP Fit Center 5208 is at -3.555520 1.390498 -2.491795 ESP Fit Center 5209 is at -3.344559 1.025103 -2.491795 ESP Fit Center 5210 is at -3.021349 0.753897 -2.491795 ESP Fit Center 5211 is at -2.001254 2.520753 -2.644686 ESP Fit Center 5212 is at -2.413912 2.631324 -2.644686 ESP Fit Center 5213 is at -2.826569 2.520753 -2.644686 ESP Fit Center 5214 is at -3.128655 2.218667 -2.644686 ESP Fit Center 5215 is at -3.239226 1.806009 -2.644686 ESP Fit Center 5216 is at -3.128655 1.393352 -2.644686 ESP Fit Center 5217 is at -2.826569 1.091266 -2.644686 ESP Fit Center 5218 is at -2.205252 2.167418 -2.737808 ESP Fit Center 5219 is at -2.622571 2.167418 -2.737808 ESP Fit Center 5220 is at -2.831230 1.806009 -2.737808 ESP Fit Center 5221 is at -2.622571 1.444601 -2.737808 ESP Fit Center 5222 is at -2.413912 1.806009 -2.769082 ESP Fit Center 5223 is at -1.324232 1.226409 2.977319 ESP Fit Center 5224 is at -0.915732 1.226409 2.949377 ESP Fit Center 5225 is at -1.119982 1.580181 2.949377 ESP Fit Center 5226 is at -1.528482 1.580181 2.949377 ESP Fit Center 5227 is at -1.732732 1.226409 2.949377 ESP Fit Center 5228 is at -1.528482 0.872638 2.949377 ESP Fit Center 5229 is at -1.119982 0.872638 2.949377 ESP Fit Center 5230 is at -0.514842 1.226409 2.866071 ESP Fit Center 5231 is at -0.919537 1.927362 2.866071 ESP Fit Center 5232 is at -1.324232 2.035800 2.866071 ESP Fit Center 5233 is at -1.728927 1.927362 2.866071 ESP Fit Center 5234 is at -2.025185 1.631105 2.866071 ESP Fit Center 5235 is at -2.133623 1.226409 2.866071 ESP Fit Center 5236 is at -2.025185 0.821714 2.866071 ESP Fit Center 5237 is at -1.728927 0.525457 2.866071 ESP Fit Center 5238 is at -0.623280 0.821714 2.866071 ESP Fit Center 5239 is at -1.116687 2.403455 2.728953 ESP Fit Center 5240 is at -1.531777 2.403455 2.728953 ESP Fit Center 5241 is at -0.201109 0.817626 2.728953 ESP Fit Center 5242 is at -1.430605 2.781528 2.540577 ESP Fit Center 5243 is at -1.846227 2.695160 -2.585939 ESP Fit Center 5244 is at -2.753937 0.605401 -2.585939 ESP Fit Center 5245 is at -1.531777 2.403455 -2.774315 ESP Fit Center 5246 is at -1.921834 2.261486 -2.774315 ESP Fit Center 5247 is at -2.239811 1.994671 -2.774315 ESP Fit Center 5248 is at -2.447356 1.635193 -2.774315 ESP Fit Center 5249 is at -2.519436 1.226409 -2.774315 ESP Fit Center 5250 is at -2.447356 0.817626 -2.774315 ESP Fit Center 5251 is at -2.239811 0.458148 -2.774315 ESP Fit Center 5252 is at -1.324232 2.035800 -2.911433 ESP Fit Center 5253 is at -1.728927 1.927362 -2.911433 ESP Fit Center 5254 is at -2.025185 1.631105 -2.911433 ESP Fit Center 5255 is at -2.133623 1.226409 -2.911433 ESP Fit Center 5256 is at -2.025185 0.821714 -2.911433 ESP Fit Center 5257 is at -1.728927 0.525457 -2.911433 ESP Fit Center 5258 is at -0.623280 0.821714 -2.911433 ESP Fit Center 5259 is at -0.915732 1.226409 -2.994739 ESP Fit Center 5260 is at -1.119982 1.580181 -2.994739 ESP Fit Center 5261 is at -1.528482 1.580181 -2.994739 ESP Fit Center 5262 is at -1.732732 1.226409 -2.994739 ESP Fit Center 5263 is at -1.528482 0.872638 -2.994739 ESP Fit Center 5264 is at -1.119982 0.872638 -2.994739 ESP Fit Center 5265 is at -1.324232 1.226409 -3.022681 ESP Fit Center 5266 is at -0.148058 1.943360 2.924287 ESP Fit Center 5267 is at 0.260442 1.943360 2.896345 ESP Fit Center 5268 is at 0.056192 2.297131 2.896345 ESP Fit Center 5269 is at -0.352308 2.297131 2.896345 ESP Fit Center 5270 is at -0.556558 1.943360 2.896345 ESP Fit Center 5271 is at -0.352308 1.589589 2.896345 ESP Fit Center 5272 is at 0.056192 1.589589 2.896345 ESP Fit Center 5273 is at 0.661333 1.943360 2.813039 ESP Fit Center 5274 is at 0.552895 2.348055 2.813039 ESP Fit Center 5275 is at 0.256637 2.644313 2.813039 ESP Fit Center 5276 is at -0.148058 2.752750 2.813039 ESP Fit Center 5277 is at -0.552753 2.644313 2.813039 ESP Fit Center 5278 is at -0.849010 2.348055 2.813039 ESP Fit Center 5279 is at -0.148058 1.133970 2.813039 ESP Fit Center 5280 is at 0.256637 1.242407 2.813039 ESP Fit Center 5281 is at 0.552895 1.538665 2.813039 ESP Fit Center 5282 is at 0.767521 2.711622 2.675921 ESP Fit Center 5283 is at 0.449544 2.978436 2.675921 ESP Fit Center 5284 is at 0.059487 3.120405 2.675921 ESP Fit Center 5285 is at -0.355603 3.120405 2.675921 ESP Fit Center 5286 is at -0.745659 2.978436 2.675921 ESP Fit Center 5287 is at -1.063637 2.711622 2.675921 ESP Fit Center 5288 is at 0.059487 0.766315 2.675921 ESP Fit Center 5289 is at 0.915873 3.082552 2.487545 ESP Fit Center 5290 is at 0.569069 3.327353 2.487545 ESP Fit Center 5291 is at 0.169080 3.469509 2.487545 ESP Fit Center 5292 is at -0.254431 3.498478 2.487545 ESP Fit Center 5293 is at -0.670052 3.412111 2.487545 ESP Fit Center 5294 is at -1.046959 3.216813 2.487545 ESP Fit Center 5295 is at -1.357199 2.927069 2.487545 ESP Fit Center 5296 is at 1.077615 3.386334 2.251421 ESP Fit Center 5297 is at 0.738763 3.616081 2.251421 ESP Fit Center 5298 is at 0.358444 3.767614 2.251421 ESP Fit Center 5299 is at -0.045559 3.833847 2.251421 ESP Fit Center 5300 is at -0.454354 3.811683 2.251421 ESP Fit Center 5301 is at -0.848827 3.702158 2.251421 ESP Fit Center 5302 is at -1.210533 3.510394 2.251421 ESP Fit Center 5303 is at 1.123722 3.729324 1.971947 ESP Fit Center 5304 is at 0.762743 3.937735 1.971947 ESP Fit Center 5305 is at -1.244312 3.842128 1.971947 ESP Fit Center 5306 is at 1.136972 4.030381 1.654328 ESP Fit Center 5307 is at -1.605450 3.913884 -1.805754 ESP Fit Center 5308 is at 0.762743 3.937735 -2.123372 ESP Fit Center 5309 is at 0.368846 4.074065 -2.123372 ESP Fit Center 5310 is at -1.244312 3.842128 -2.123372 ESP Fit Center 5311 is at -1.583845 3.600347 -2.123372 ESP Fit Center 5312 is at 0.738763 3.616081 -2.402847 ESP Fit Center 5313 is at 0.358444 3.767614 -2.402847 ESP Fit Center 5314 is at -0.045559 3.833847 -2.402847 ESP Fit Center 5315 is at -0.454354 3.811683 -2.402847 ESP Fit Center 5316 is at -0.848827 3.702158 -2.402847 ESP Fit Center 5317 is at -1.210533 3.510394 -2.402847 ESP Fit Center 5318 is at -1.522559 3.245357 -2.402847 ESP Fit Center 5319 is at 0.915873 3.082552 -2.638971 ESP Fit Center 5320 is at 0.569069 3.327353 -2.638971 ESP Fit Center 5321 is at 0.169080 3.469509 -2.638971 ESP Fit Center 5322 is at -0.254431 3.498478 -2.638971 ESP Fit Center 5323 is at -0.670052 3.412111 -2.638971 ESP Fit Center 5324 is at -1.046959 3.216813 -2.638971 ESP Fit Center 5325 is at -1.357199 2.927069 -2.638971 ESP Fit Center 5326 is at 0.767521 2.711622 -2.827347 ESP Fit Center 5327 is at 0.449544 2.978436 -2.827347 ESP Fit Center 5328 is at 0.059487 3.120405 -2.827347 ESP Fit Center 5329 is at -0.355603 3.120405 -2.827347 ESP Fit Center 5330 is at -0.745659 2.978436 -2.827347 ESP Fit Center 5331 is at -1.063637 2.711622 -2.827347 ESP Fit Center 5332 is at -1.271181 2.352144 -2.827347 ESP Fit Center 5333 is at -0.355603 0.766315 -2.827347 ESP Fit Center 5334 is at 0.552895 2.348055 -2.964465 ESP Fit Center 5335 is at 0.256637 2.644313 -2.964465 ESP Fit Center 5336 is at -0.148058 2.752750 -2.964465 ESP Fit Center 5337 is at -0.552753 2.644313 -2.964465 ESP Fit Center 5338 is at -0.849010 2.348055 -2.964465 ESP Fit Center 5339 is at -0.957448 1.943360 -2.964465 ESP Fit Center 5340 is at -0.552753 1.242407 -2.964465 ESP Fit Center 5341 is at -0.148058 1.133970 -2.964465 ESP Fit Center 5342 is at 0.260442 1.943360 -3.047771 ESP Fit Center 5343 is at 0.056192 2.297131 -3.047771 ESP Fit Center 5344 is at -0.352308 2.297131 -3.047771 ESP Fit Center 5345 is at -0.556558 1.943360 -3.047771 ESP Fit Center 5346 is at -0.352308 1.589589 -3.047771 ESP Fit Center 5347 is at 0.056192 1.589589 -3.047771 ESP Fit Center 5348 is at -0.148058 1.943360 -3.075713 ESP Fit Center 5349 is at 1.134640 1.423138 2.866447 ESP Fit Center 5350 is at 1.338890 1.776910 2.838505 ESP Fit Center 5351 is at 0.930390 1.776910 2.838505 ESP Fit Center 5352 is at 0.726140 1.423138 2.838505 ESP Fit Center 5353 is at 0.930390 1.069367 2.838505 ESP Fit Center 5354 is at 1.539335 2.124091 2.755199 ESP Fit Center 5355 is at 1.134640 2.232529 2.755199 ESP Fit Center 5356 is at 0.433688 1.018443 2.755199 ESP Fit Center 5357 is at 0.729945 0.722186 2.755199 ESP Fit Center 5358 is at 2.050219 2.191400 2.618081 ESP Fit Center 5359 is at 1.732242 2.458215 2.618081 ESP Fit Center 5360 is at 1.342185 2.600184 2.618081 ESP Fit Center 5361 is at 1.451778 2.949288 2.429705 ESP Fit Center 5362 is at 1.028267 2.978257 -2.696811 ESP Fit Center 5363 is at 2.329843 1.423138 -2.885187 ESP Fit Center 5364 is at 1.342185 2.600184 -2.885187 ESP Fit Center 5365 is at 0.927095 2.600184 -2.885187 ESP Fit Center 5366 is at 2.257764 1.014355 -2.885187 ESP Fit Center 5367 is at 1.944031 1.423138 -3.022305 ESP Fit Center 5368 is at 1.835593 1.827834 -3.022305 ESP Fit Center 5369 is at 1.539335 2.124091 -3.022305 ESP Fit Center 5370 is at 1.134640 2.232529 -3.022305 ESP Fit Center 5371 is at 0.729945 2.124091 -3.022305 ESP Fit Center 5372 is at 0.433688 1.827834 -3.022305 ESP Fit Center 5373 is at 0.325250 1.423138 -3.022305 ESP Fit Center 5374 is at 0.433688 1.018443 -3.022305 ESP Fit Center 5375 is at 1.835593 1.018443 -3.022305 ESP Fit Center 5376 is at 1.543140 1.423138 -3.105611 ESP Fit Center 5377 is at 1.338890 1.776910 -3.105611 ESP Fit Center 5378 is at 0.930390 1.776910 -3.105611 ESP Fit Center 5379 is at 0.726140 1.423138 -3.105611 ESP Fit Center 5380 is at 0.930390 1.069367 -3.105611 ESP Fit Center 5381 is at 1.338890 1.069367 -3.105611 ESP Fit Center 5382 is at 1.134640 1.423138 -3.133553 ESP Fit Center 5383 is at 2.322468 2.505254 2.586186 ESP Fit Center 5384 is at 1.905149 2.505254 2.586186 ESP Fit Center 5385 is at 2.828552 2.556503 2.493063 ESP Fit Center 5386 is at 2.526466 2.858589 2.493063 ESP Fit Center 5387 is at 2.113808 2.969160 2.493063 ESP Fit Center 5388 is at 1.701151 2.858589 2.493063 ESP Fit Center 5389 is at 3.255417 2.559357 2.340172 ESP Fit Center 5390 is at 3.044456 2.924752 2.340172 ESP Fit Center 5391 is at 2.721246 3.195958 2.340172 ESP Fit Center 5392 is at 2.324769 3.340264 2.340172 ESP Fit Center 5393 is at 1.902848 3.340264 2.340172 ESP Fit Center 5394 is at 1.506371 3.195958 2.340172 ESP Fit Center 5395 is at 3.637359 2.552080 2.130928 ESP Fit Center 5396 is at 3.479787 2.932494 2.130928 ESP Fit Center 5397 is at 3.229125 3.259163 2.130928 ESP Fit Center 5398 is at 2.902456 3.509824 2.130928 ESP Fit Center 5399 is at 2.522043 3.667397 2.130928 ESP Fit Center 5400 is at 2.113808 3.721142 2.130928 ESP Fit Center 5401 is at 1.705574 3.667397 2.130928 ESP Fit Center 5402 is at 1.325160 3.509824 2.130928 ESP Fit Center 5403 is at 4.018292 2.143846 1.870005 ESP Fit Center 5404 is at 3.973766 2.553253 1.870005 ESP Fit Center 5405 is at 3.842271 2.943518 1.870005 ESP Fit Center 5406 is at 3.629955 3.296390 1.870005 ESP Fit Center 5407 is at 3.346745 3.595371 1.870005 ESP Fit Center 5408 is at 3.005885 3.826480 1.870005 ESP Fit Center 5409 is at 2.623312 3.978911 1.870005 ESP Fit Center 5410 is at 2.216915 4.045536 1.870005 ESP Fit Center 5411 is at 1.805697 4.023241 1.870005 ESP Fit Center 5412 is at 1.408886 3.913067 1.870005 ESP Fit Center 5413 is at 4.302936 2.143846 1.563231 ESP Fit Center 5414 is at 4.263376 2.558141 1.563231 ESP Fit Center 5415 is at 4.146125 2.957462 1.563231 ESP Fit Center 5416 is at 3.955420 3.327378 1.563231 ESP Fit Center 5417 is at 3.698155 3.654517 1.563231 ESP Fit Center 5418 is at 3.383627 3.927057 1.563231 ESP Fit Center 5419 is at 3.023205 4.135147 1.563231 ESP Fit Center 5420 is at 2.629915 4.271266 1.563231 ESP Fit Center 5421 is at 2.217971 4.330494 1.563231 ESP Fit Center 5422 is at 1.802263 4.310692 1.563231 ESP Fit Center 5423 is at 1.397815 4.212574 1.563231 ESP Fit Center 5424 is at 4.538679 2.143846 1.217459 ESP Fit Center 5425 is at 4.503800 2.553651 1.217459 ESP Fit Center 5426 is at 4.400165 2.951667 1.217459 ESP Fit Center 5427 is at 4.230755 3.326443 1.217459 ESP Fit Center 5428 is at 4.000445 3.667198 1.217459 ESP Fit Center 5429 is at 3.715859 3.964129 1.217459 ESP Fit Center 5430 is at 3.385186 4.208694 1.217459 ESP Fit Center 5431 is at 3.017937 4.393857 1.217459 ESP Fit Center 5432 is at 2.624678 4.514291 1.217459 ESP Fit Center 5433 is at 2.216723 4.566532 1.217459 ESP Fit Center 5434 is at 1.805806 4.549076 1.217459 ESP Fit Center 5435 is at 1.403751 4.462427 1.217459 ESP Fit Center 5436 is at 4.720255 2.143846 0.840414 ESP Fit Center 5437 is at 4.688165 2.551584 0.840414 ESP Fit Center 5438 is at 4.592686 2.949282 0.840414 ESP Fit Center 5439 is at 4.436169 3.327148 0.840414 ESP Fit Center 5440 is at 4.222468 3.675877 0.840414 ESP Fit Center 5441 is at 3.956844 3.986882 0.840414 ESP Fit Center 5442 is at 3.645839 4.252505 0.840414 ESP Fit Center 5443 is at 3.297110 4.466207 0.840414 ESP Fit Center 5444 is at 2.919245 4.622724 0.840414 ESP Fit Center 5445 is at 2.521546 4.718203 0.840414 ESP Fit Center 5446 is at 2.113808 4.750292 0.840414 ESP Fit Center 5447 is at 1.706070 4.718203 0.840414 ESP Fit Center 5448 is at 1.308372 4.622724 0.840414 ESP Fit Center 5449 is at 4.843606 2.143846 0.440518 ESP Fit Center 5450 is at 4.811614 2.560547 0.440518 ESP Fit Center 5451 is at 4.716388 2.967482 0.440518 ESP Fit Center 5452 is at 4.560159 3.355111 0.440518 ESP Fit Center 5453 is at 4.346590 3.714350 0.440518 ESP Fit Center 5454 is at 4.080687 4.036777 0.440518 ESP Fit Center 5455 is at 3.768681 4.314835 0.440518 ESP Fit Center 5456 is at 3.417887 4.542007 0.440518 ESP Fit Center 5457 is at 3.036526 4.712968 0.440518 ESP Fit Center 5458 is at 2.633538 4.823711 0.440518 ESP Fit Center 5459 is at 2.218367 4.871641 0.440518 ESP Fit Center 5460 is at 1.800746 4.855633 0.440518 ESP Fit Center 5461 is at 1.390462 4.776063 0.440518 ESP Fit Center 5462 is at 4.811614 1.727144 0.440518 ESP Fit Center 5463 is at 4.905979 2.143846 0.026704 ESP Fit Center 5464 is at 4.874793 2.559997 0.026704 ESP Fit Center 5465 is at 4.781931 2.966852 0.026704 ESP Fit Center 5466 is at 4.629467 3.355323 0.026704 ESP Fit Center 5467 is at 4.420808 3.716731 0.026704 ESP Fit Center 5468 is at 4.160614 4.043004 0.026704 ESP Fit Center 5469 is at 3.854698 4.326853 0.026704 ESP Fit Center 5470 is at 3.509894 4.561936 0.026704 ESP Fit Center 5471 is at 3.133903 4.743004 0.026704 ESP Fit Center 5472 is at 2.735125 4.866011 0.026704 ESP Fit Center 5473 is at 2.322468 4.928209 0.026704 ESP Fit Center 5474 is at 1.905149 4.928209 0.026704 ESP Fit Center 5475 is at 1.492492 4.866011 0.026704 ESP Fit Center 5476 is at 4.874793 1.727694 0.026704 ESP Fit Center 5477 is at 4.905979 2.143846 -0.391785 ESP Fit Center 5478 is at 4.874793 2.559997 -0.391785 ESP Fit Center 5479 is at 4.781931 2.966852 -0.391785 ESP Fit Center 5480 is at 4.629467 3.355323 -0.391785 ESP Fit Center 5481 is at 4.420808 3.716731 -0.391785 ESP Fit Center 5482 is at 4.160614 4.043004 -0.391785 ESP Fit Center 5483 is at 3.854698 4.326853 -0.391785 ESP Fit Center 5484 is at 3.509894 4.561936 -0.391785 ESP Fit Center 5485 is at 3.133903 4.743004 -0.391785 ESP Fit Center 5486 is at 2.735125 4.866011 -0.391785 ESP Fit Center 5487 is at 2.322468 4.928209 -0.391785 ESP Fit Center 5488 is at 1.905149 4.928209 -0.391785 ESP Fit Center 5489 is at 1.492492 4.866011 -0.391785 ESP Fit Center 5490 is at 4.874793 1.727694 -0.391785 ESP Fit Center 5491 is at 4.843606 2.143846 -0.805599 ESP Fit Center 5492 is at 4.811614 2.560547 -0.805599 ESP Fit Center 5493 is at 4.716388 2.967482 -0.805599 ESP Fit Center 5494 is at 4.560159 3.355111 -0.805599 ESP Fit Center 5495 is at 4.346590 3.714350 -0.805599 ESP Fit Center 5496 is at 4.080687 4.036777 -0.805599 ESP Fit Center 5497 is at 3.768681 4.314835 -0.805599 ESP Fit Center 5498 is at 3.417887 4.542007 -0.805599 ESP Fit Center 5499 is at 3.036526 4.712968 -0.805599 ESP Fit Center 5500 is at 2.633538 4.823711 -0.805599 ESP Fit Center 5501 is at 2.218367 4.871641 -0.805599 ESP Fit Center 5502 is at 1.800746 4.855633 -0.805599 ESP Fit Center 5503 is at 1.390462 4.776063 -0.805599 ESP Fit Center 5504 is at 4.720255 2.143846 -1.205495 ESP Fit Center 5505 is at 4.688165 2.551584 -1.205495 ESP Fit Center 5506 is at 4.592686 2.949282 -1.205495 ESP Fit Center 5507 is at 4.436169 3.327148 -1.205495 ESP Fit Center 5508 is at 4.222468 3.675877 -1.205495 ESP Fit Center 5509 is at 3.956844 3.986882 -1.205495 ESP Fit Center 5510 is at 3.645839 4.252505 -1.205495 ESP Fit Center 5511 is at 3.297110 4.466207 -1.205495 ESP Fit Center 5512 is at 2.919245 4.622724 -1.205495 ESP Fit Center 5513 is at 2.521546 4.718203 -1.205495 ESP Fit Center 5514 is at 2.113808 4.750292 -1.205495 ESP Fit Center 5515 is at 1.706070 4.718203 -1.205495 ESP Fit Center 5516 is at 1.308372 4.622724 -1.205495 ESP Fit Center 5517 is at 4.538679 2.143846 -1.582541 ESP Fit Center 5518 is at 4.503800 2.553651 -1.582541 ESP Fit Center 5519 is at 4.400165 2.951667 -1.582541 ESP Fit Center 5520 is at 4.230755 3.326443 -1.582541 ESP Fit Center 5521 is at 4.000445 3.667198 -1.582541 ESP Fit Center 5522 is at 3.715859 3.964129 -1.582541 ESP Fit Center 5523 is at 3.385186 4.208694 -1.582541 ESP Fit Center 5524 is at 3.017937 4.393857 -1.582541 ESP Fit Center 5525 is at 2.624678 4.514291 -1.582541 ESP Fit Center 5526 is at 2.216723 4.566532 -1.582541 ESP Fit Center 5527 is at 1.805806 4.549076 -1.582541 ESP Fit Center 5528 is at 1.403751 4.462427 -1.582541 ESP Fit Center 5529 is at 4.302936 2.143846 -1.928312 ESP Fit Center 5530 is at 4.263376 2.558141 -1.928312 ESP Fit Center 5531 is at 4.146125 2.957462 -1.928312 ESP Fit Center 5532 is at 3.955420 3.327378 -1.928312 ESP Fit Center 5533 is at 3.698155 3.654517 -1.928312 ESP Fit Center 5534 is at 3.383627 3.927057 -1.928312 ESP Fit Center 5535 is at 3.023205 4.135147 -1.928312 ESP Fit Center 5536 is at 2.629915 4.271266 -1.928312 ESP Fit Center 5537 is at 2.217971 4.330494 -1.928312 ESP Fit Center 5538 is at 1.802263 4.310692 -1.928312 ESP Fit Center 5539 is at 1.397815 4.212574 -1.928312 ESP Fit Center 5540 is at 1.019244 4.039686 -1.928312 ESP Fit Center 5541 is at 4.018292 2.143846 -2.235086 ESP Fit Center 5542 is at 3.973766 2.553253 -2.235086 ESP Fit Center 5543 is at 3.842271 2.943518 -2.235086 ESP Fit Center 5544 is at 3.629955 3.296390 -2.235086 ESP Fit Center 5545 is at 3.346745 3.595371 -2.235086 ESP Fit Center 5546 is at 3.005885 3.826480 -2.235086 ESP Fit Center 5547 is at 2.623312 3.978911 -2.235086 ESP Fit Center 5548 is at 2.216915 4.045536 -2.235086 ESP Fit Center 5549 is at 1.805697 4.023241 -2.235086 ESP Fit Center 5550 is at 1.408886 3.913067 -2.235086 ESP Fit Center 5551 is at 1.045037 3.720166 -2.235086 ESP Fit Center 5552 is at 3.691104 2.143846 -2.496009 ESP Fit Center 5553 is at 3.637359 2.552080 -2.496009 ESP Fit Center 5554 is at 3.479787 2.932494 -2.496009 ESP Fit Center 5555 is at 3.229125 3.259163 -2.496009 ESP Fit Center 5556 is at 2.902456 3.509824 -2.496009 ESP Fit Center 5557 is at 2.522043 3.667397 -2.496009 ESP Fit Center 5558 is at 2.113808 3.721142 -2.496009 ESP Fit Center 5559 is at 1.705574 3.667397 -2.496009 ESP Fit Center 5560 is at 1.325160 3.509824 -2.496009 ESP Fit Center 5561 is at 3.328683 2.143846 -2.705253 ESP Fit Center 5562 is at 3.255417 2.559357 -2.705253 ESP Fit Center 5563 is at 3.044456 2.924752 -2.705253 ESP Fit Center 5564 is at 2.721246 3.195958 -2.705253 ESP Fit Center 5565 is at 2.324769 3.340264 -2.705253 ESP Fit Center 5566 is at 1.902848 3.340264 -2.705253 ESP Fit Center 5567 is at 1.506371 3.195958 -2.705253 ESP Fit Center 5568 is at 3.255417 1.728334 -2.705253 ESP Fit Center 5569 is at 2.939123 2.143846 -2.858144 ESP Fit Center 5570 is at 2.828552 2.556503 -2.858144 ESP Fit Center 5571 is at 2.526466 2.858589 -2.858144 ESP Fit Center 5572 is at 2.113808 2.969160 -2.858144 ESP Fit Center 5573 is at 1.701151 2.858589 -2.858144 ESP Fit Center 5574 is at 2.526466 1.429102 -2.858144 ESP Fit Center 5575 is at 2.828552 1.731188 -2.858144 ESP Fit Center 5576 is at 2.531127 2.143846 -2.951267 ESP Fit Center 5577 is at 2.322468 2.505254 -2.951267 ESP Fit Center 5578 is at 1.905149 2.505254 -2.951267 ESP Fit Center 5579 is at 2.322468 1.782437 -2.951267 ESP Fit Center 5580 is at 2.113808 2.143846 -2.982541 ESP Fit Center 5581 is at 0.509780 0.462417 2.748328 ESP Fit Center 5582 is at 0.087609 0.466505 -2.892058 ESP Fit Center 5583 is at 1.911685 0.462417 -3.029176 ESP Fit Center 5584 is at 1.615428 0.758674 -3.029176 ESP Fit Center 5585 is at 0.509780 0.462417 -3.029176 ESP Fit Center 5586 is at 0.401342 0.057722 -3.029176 ESP Fit Center 5587 is at 0.509780 -0.346973 -3.029176 ESP Fit Center 5588 is at 0.806037 -0.643231 -3.029176 ESP Fit Center 5589 is at 1.619232 0.057722 -3.112482 ESP Fit Center 5590 is at 1.414982 0.411493 -3.112482 ESP Fit Center 5591 is at 1.006483 0.411493 -3.112482 ESP Fit Center 5592 is at 0.802233 0.057722 -3.112482 ESP Fit Center 5593 is at 1.006483 -0.296050 -3.112482 ESP Fit Center 5594 is at 1.414982 -0.296050 -3.112482 ESP Fit Center 5595 is at 1.210732 0.057722 -3.140424 ESP Fit Center 5596 is at 0.094113 -0.739071 2.915991 ESP Fit Center 5597 is at 0.502613 -0.739071 2.888049 ESP Fit Center 5598 is at 0.298363 -0.385299 2.888049 ESP Fit Center 5599 is at -0.110137 -0.385299 2.888049 ESP Fit Center 5600 is at -0.314387 -0.739071 2.888049 ESP Fit Center 5601 is at -0.110137 -1.092842 2.888049 ESP Fit Center 5602 is at 0.298363 -1.092842 2.888049 ESP Fit Center 5603 is at 0.498808 -0.038118 2.804743 ESP Fit Center 5604 is at 0.094113 0.070320 2.804743 ESP Fit Center 5605 is at -0.606840 -1.143766 2.804743 ESP Fit Center 5606 is at -0.310582 -1.440023 2.804743 ESP Fit Center 5607 is at 0.094113 -1.548461 2.804743 ESP Fit Center 5608 is at 0.498808 -1.440023 2.804743 ESP Fit Center 5609 is at -0.821466 -1.507333 2.667625 ESP Fit Center 5610 is at -0.503489 -1.774147 2.667625 ESP Fit Center 5611 is at -0.113432 -1.916116 2.667625 ESP Fit Center 5612 is at 0.301658 -1.916116 2.667625 ESP Fit Center 5613 is at 0.691715 -1.774147 2.667625 ESP Fit Center 5614 is at -0.804789 -2.012524 2.479250 ESP Fit Center 5615 is at -0.427881 -2.207822 2.479250 ESP Fit Center 5616 is at -0.012260 -2.294189 2.479250 ESP Fit Center 5617 is at 0.411250 -2.265220 2.479250 ESP Fit Center 5618 is at 0.811240 -2.123063 2.479250 ESP Fit Center 5619 is at -0.212183 -2.607394 2.243125 ESP Fit Center 5620 is at 0.196612 -2.629558 2.243125 ESP Fit Center 5621 is at 0.600615 -2.563325 2.243125 ESP Fit Center 5622 is at -0.968362 -2.306104 -2.411143 ESP Fit Center 5623 is at -0.606656 -2.497869 -2.411143 ESP Fit Center 5624 is at -0.212183 -2.607394 -2.411143 ESP Fit Center 5625 is at 0.196612 -2.629558 -2.411143 ESP Fit Center 5626 is at -1.115028 -1.722780 -2.647267 ESP Fit Center 5627 is at -0.804789 -2.012524 -2.647267 ESP Fit Center 5628 is at -0.427881 -2.207822 -2.647267 ESP Fit Center 5629 is at -0.012260 -2.294189 -2.647267 ESP Fit Center 5630 is at -0.113432 0.437975 -2.835643 ESP Fit Center 5631 is at -0.821466 -1.507333 -2.835643 ESP Fit Center 5632 is at -0.503489 -1.774147 -2.835643 ESP Fit Center 5633 is at -0.113432 -1.916116 -2.835643 ESP Fit Center 5634 is at 0.301658 -1.916116 -2.835643 ESP Fit Center 5635 is at 0.094113 0.070320 -2.972761 ESP Fit Center 5636 is at -0.310582 -0.038118 -2.972761 ESP Fit Center 5637 is at -0.715277 -0.739071 -2.972761 ESP Fit Center 5638 is at -0.606840 -1.143766 -2.972761 ESP Fit Center 5639 is at -0.310582 -1.440023 -2.972761 ESP Fit Center 5640 is at 0.094113 -1.548461 -2.972761 ESP Fit Center 5641 is at 0.498808 -1.440023 -2.972761 ESP Fit Center 5642 is at 0.795066 -1.143766 -2.972761 ESP Fit Center 5643 is at 0.502613 -0.739071 -3.056067 ESP Fit Center 5644 is at 0.298363 -0.385299 -3.056067 ESP Fit Center 5645 is at -0.110137 -0.385299 -3.056067 ESP Fit Center 5646 is at -0.314387 -0.739071 -3.056067 ESP Fit Center 5647 is at -0.110137 -1.092842 -3.056067 ESP Fit Center 5648 is at 0.298363 -1.092842 -3.056067 ESP Fit Center 5649 is at 0.094113 -0.739071 -3.084009 ESP Fit Center 5650 is at -1.131042 -0.206404 2.975215 ESP Fit Center 5651 is at -0.722542 -0.206404 2.947272 ESP Fit Center 5652 is at -0.926792 0.147367 2.947272 ESP Fit Center 5653 is at -1.335292 0.147367 2.947272 ESP Fit Center 5654 is at -1.539542 -0.206404 2.947272 ESP Fit Center 5655 is at -1.335292 -0.560175 2.947272 ESP Fit Center 5656 is at -0.926792 -0.560175 2.947272 ESP Fit Center 5657 is at -0.321652 -0.206404 2.863966 ESP Fit Center 5658 is at -0.430089 0.198291 2.863966 ESP Fit Center 5659 is at -0.726347 0.494549 2.863966 ESP Fit Center 5660 is at -1.831994 0.198291 2.863966 ESP Fit Center 5661 is at -1.131042 -1.015794 2.863966 ESP Fit Center 5662 is at -0.726347 -0.907356 2.863966 ESP Fit Center 5663 is at -0.215463 0.561858 2.726848 ESP Fit Center 5664 is at -0.923497 -1.383449 2.726848 ESP Fit Center 5665 is at -0.215463 0.561858 -2.776419 ESP Fit Center 5666 is at -2.254166 0.202380 -2.776419 ESP Fit Center 5667 is at -1.338587 -1.383449 -2.776419 ESP Fit Center 5668 is at -0.430089 0.198291 -2.913537 ESP Fit Center 5669 is at -0.726347 0.494549 -2.913537 ESP Fit Center 5670 is at -1.831994 0.198291 -2.913537 ESP Fit Center 5671 is at -1.940432 -0.206404 -2.913537 ESP Fit Center 5672 is at -1.831994 -0.611099 -2.913537 ESP Fit Center 5673 is at -1.535737 -0.907356 -2.913537 ESP Fit Center 5674 is at -1.131042 -1.015794 -2.913537 ESP Fit Center 5675 is at -0.722542 -0.206404 -2.996843 ESP Fit Center 5676 is at -0.926792 0.147367 -2.996843 ESP Fit Center 5677 is at -1.335292 0.147367 -2.996843 ESP Fit Center 5678 is at -1.539542 -0.206404 -2.996843 ESP Fit Center 5679 is at -1.335292 -0.560175 -2.996843 ESP Fit Center 5680 is at -0.926792 -0.560175 -2.996843 ESP Fit Center 5681 is at -1.131042 -0.206404 -3.024785 ESP Fit Center 5682 is at 5.394123 0.887809 -0.451888 ESP Fit Center 5683 is at 5.210272 1.269578 -0.451888 ESP Fit Center 5684 is at 4.961209 1.612384 -0.451888 ESP Fit Center 5685 is at 5.581295 0.057321 -0.868644 ESP Fit Center 5686 is at 5.544834 0.474076 -0.868644 ESP Fit Center 5687 is at 5.436558 0.878169 -0.868644 ESP Fit Center 5688 is at 5.259756 1.257321 -0.868644 ESP Fit Center 5689 is at 5.019802 1.600011 -0.868644 ESP Fit Center 5690 is at 5.544834 0.057321 -1.285399 ESP Fit Center 5691 is at 5.506851 0.479347 -1.285399 ESP Fit Center 5692 is at 5.394123 0.887809 -1.285399 ESP Fit Center 5693 is at 5.210272 1.269578 -1.285399 ESP Fit Center 5694 is at 4.961209 1.612384 -1.285399 ESP Fit Center 5695 is at 5.394123 -0.773167 -1.285399 ESP Fit Center 5696 is at 5.506851 -0.364705 -1.285399 ESP Fit Center 5697 is at 5.436558 0.057321 -1.689492 ESP Fit Center 5698 is at 5.395802 0.484132 -1.689492 ESP Fit Center 5699 is at 5.275009 0.895517 -1.689492 ESP Fit Center 5700 is at 5.078543 1.276607 -1.689492 ESP Fit Center 5701 is at 4.813505 1.613630 -1.689492 ESP Fit Center 5702 is at 4.489476 1.894403 -1.689492 ESP Fit Center 5703 is at 5.275009 -0.780876 -1.689492 ESP Fit Center 5704 is at 5.395802 -0.369491 -1.689492 ESP Fit Center 5705 is at 5.259756 0.057321 -2.068644 ESP Fit Center 5706 is at 5.217210 0.475712 -2.068644 ESP Fit Center 5707 is at 5.091313 0.876974 -2.068644 ESP Fit Center 5708 is at 4.887220 1.244679 -2.068644 ESP Fit Center 5709 is at 4.613286 1.563774 -2.068644 ESP Fit Center 5710 is at 4.280726 1.821195 -2.068644 ESP Fit Center 5711 is at 5.091313 -0.762333 -2.068644 ESP Fit Center 5712 is at 5.217210 -0.361070 -2.068644 ESP Fit Center 5713 is at 5.019802 0.057321 -2.411334 ESP Fit Center 5714 is at 4.970245 0.481309 -2.411334 ESP Fit Center 5715 is at 4.824245 0.882441 -2.411334 ESP Fit Center 5716 is at 4.589673 1.239090 -2.411334 ESP Fit Center 5717 is at 4.279175 1.532029 -2.411334 ESP Fit Center 5718 is at 3.909491 1.745467 -2.411334 ESP Fit Center 5719 is at 4.824245 -0.767800 -2.411334 ESP Fit Center 5720 is at 4.970245 -0.366668 -2.411334 ESP Fit Center 5721 is at 4.723986 0.057321 -2.707150 ESP Fit Center 5722 is at 4.666778 0.473533 -2.707150 ESP Fit Center 5723 is at 4.499400 0.858878 -2.707150 ESP Fit Center 5724 is at 4.234263 1.184774 -2.707150 ESP Fit Center 5725 is at 3.891033 1.427053 -2.707150 ESP Fit Center 5726 is at 3.495165 1.567744 -2.707150 ESP Fit Center 5727 is at 4.499400 -0.744236 -2.707150 ESP Fit Center 5728 is at 4.666778 -0.358892 -2.707150 ESP Fit Center 5729 is at 4.381295 0.057321 -2.947105 ESP Fit Center 5730 is at 4.308926 0.467745 -2.947105 ESP Fit Center 5731 is at 4.100549 0.828666 -2.947105 ESP Fit Center 5732 is at 3.781295 1.096551 -2.947105 ESP Fit Center 5733 is at 3.389673 1.239090 -2.947105 ESP Fit Center 5734 is at 2.972918 1.239090 -2.947105 ESP Fit Center 5735 is at 2.581295 1.096551 -2.947105 ESP Fit Center 5736 is at 2.262042 0.828666 -2.947105 ESP Fit Center 5737 is at 4.100549 -0.714024 -2.947105 ESP Fit Center 5738 is at 4.308926 -0.353104 -2.947105 ESP Fit Center 5739 is at 4.002144 0.057321 -3.123906 ESP Fit Center 5740 is at 3.892171 0.467745 -3.123906 ESP Fit Center 5741 is at 3.591720 0.768196 -3.123906 ESP Fit Center 5742 is at 3.181295 0.878169 -3.123906 ESP Fit Center 5743 is at 2.770871 0.768196 -3.123906 ESP Fit Center 5744 is at 2.470420 0.467745 -3.123906 ESP Fit Center 5745 is at 3.591720 -0.653555 -3.123906 ESP Fit Center 5746 is at 3.892171 -0.353104 -3.123906 ESP Fit Center 5747 is at 3.598051 0.057321 -3.232182 ESP Fit Center 5748 is at 3.389673 0.418242 -3.232182 ESP Fit Center 5749 is at 2.972918 0.418242 -3.232182 ESP Fit Center 5750 is at 2.764540 0.057321 -3.232182 ESP Fit Center 5751 is at 2.972918 -0.303600 -3.232182 ESP Fit Center 5752 is at 3.389673 -0.303600 -3.232182 ESP Fit Center 5753 is at 3.181295 0.057321 -3.268644 ESP Fit Center 5754 is at 5.517152 -0.599430 3.191565 ESP Fit Center 5755 is at 5.444783 -0.189006 3.191565 ESP Fit Center 5756 is at 5.444783 -1.009855 3.191565 ESP Fit Center 5757 is at 5.859842 -0.599430 2.951611 ESP Fit Center 5758 is at 5.802635 -0.183218 2.951611 ESP Fit Center 5759 is at 5.635256 0.202127 2.951611 ESP Fit Center 5760 is at 5.370120 0.528023 2.951611 ESP Fit Center 5761 is at 5.635256 -1.400987 2.951611 ESP Fit Center 5762 is at 5.802635 -1.015643 2.951611 ESP Fit Center 5763 is at 6.155658 -0.599430 2.655794 ESP Fit Center 5764 is at 6.106101 -0.175442 2.655794 ESP Fit Center 5765 is at 5.960101 0.225690 2.655794 ESP Fit Center 5766 is at 5.725529 0.582339 2.655794 ESP Fit Center 5767 is at 5.415032 0.875278 2.655794 ESP Fit Center 5768 is at 5.725529 -1.781200 2.655794 ESP Fit Center 5769 is at 5.960101 -1.424551 2.655794 ESP Fit Center 5770 is at 6.106101 -1.023419 2.655794 ESP Fit Center 5771 is at 6.395613 -0.599430 2.313104 ESP Fit Center 5772 is at 6.353066 -0.181039 2.313104 ESP Fit Center 5773 is at 6.227170 0.220223 2.313104 ESP Fit Center 5774 is at 6.023076 0.587928 2.313104 ESP Fit Center 5775 is at 5.749143 0.907023 2.313104 ESP Fit Center 5776 is at 5.416583 1.164444 2.313104 ESP Fit Center 5777 is at 5.749143 -2.105884 2.313104 ESP Fit Center 5778 is at 6.023076 -1.786789 2.313104 ESP Fit Center 5779 is at 6.227170 -1.419084 2.313104 ESP Fit Center 5780 is at 6.353066 -1.017821 2.313104 ESP Fit Center 5781 is at 6.572414 -0.599430 1.933953 ESP Fit Center 5782 is at 6.531658 -0.172619 1.933953 ESP Fit Center 5783 is at 6.410865 0.238766 1.933953 ESP Fit Center 5784 is at 6.214399 0.619856 1.933953 ESP Fit Center 5785 is at 5.949362 0.956879 1.933953 ESP Fit Center 5786 is at 5.625332 1.237652 1.933953 ESP Fit Center 5787 is at 5.254021 1.452028 1.933953 ESP Fit Center 5788 is at 5.625332 -2.436513 1.933953 ESP Fit Center 5789 is at 5.949362 -2.155740 1.933953 ESP Fit Center 5790 is at 6.214399 -1.818717 1.933953 ESP Fit Center 5791 is at 6.410865 -1.437627 1.933953 ESP Fit Center 5792 is at 6.531658 -1.026242 1.933953 ESP Fit Center 5793 is at 6.680690 -0.599430 1.529860 ESP Fit Center 5794 is at 6.642707 -0.177404 1.529860 ESP Fit Center 5795 is at 6.529979 0.231058 1.529860 ESP Fit Center 5796 is at 6.346129 0.612827 1.529860 ESP Fit Center 5797 is at 6.097065 0.955633 1.529860 ESP Fit Center 5798 is at 5.790794 1.248459 1.529860 ESP Fit Center 5799 is at 5.437159 1.481891 1.529860 ESP Fit Center 5800 is at 5.047525 1.648428 1.529860 ESP Fit Center 5801 is at 5.790794 -2.447319 1.529860 ESP Fit Center 5802 is at 6.097065 -2.154494 1.529860 ESP Fit Center 5803 is at 6.346129 -1.811688 1.529860 ESP Fit Center 5804 is at 6.529979 -1.429918 1.529860 ESP Fit Center 5805 is at 6.642707 -1.021456 1.529860 ESP Fit Center 5806 is at 6.717152 -0.599430 1.113104 ESP Fit Center 5807 is at 6.680690 -0.182675 1.113104 ESP Fit Center 5808 is at 6.572414 0.221418 1.113104 ESP Fit Center 5809 is at 6.395613 0.600570 1.113104 ESP Fit Center 5810 is at 6.155658 0.943260 1.113104 ESP Fit Center 5811 is at 5.859842 1.239076 1.113104 ESP Fit Center 5812 is at 5.517152 1.479031 1.113104 ESP Fit Center 5813 is at 5.138000 1.655832 1.113104 ESP Fit Center 5814 is at 5.517152 -2.677891 1.113104 ESP Fit Center 5815 is at 5.859842 -2.437937 1.113104 ESP Fit Center 5816 is at 6.155658 -2.142121 1.113104 ESP Fit Center 5817 is at 6.395613 -1.799430 1.113104 ESP Fit Center 5818 is at 6.572414 -1.420279 1.113104 ESP Fit Center 5819 is at 6.680690 -1.016186 1.113104 ESP Fit Center 5820 is at 6.680690 -0.599430 0.696349 ESP Fit Center 5821 is at 6.642707 -0.177404 0.696349 ESP Fit Center 5822 is at 6.529979 0.231058 0.696349 ESP Fit Center 5823 is at 6.346129 0.612827 0.696349 ESP Fit Center 5824 is at 6.097065 0.955633 0.696349 ESP Fit Center 5825 is at 5.790794 1.248459 0.696349 ESP Fit Center 5826 is at 5.437159 1.481891 0.696349 ESP Fit Center 5827 is at 5.047525 1.648428 0.696349 ESP Fit Center 5828 is at 5.790794 -2.447319 0.696349 ESP Fit Center 5829 is at 6.097065 -2.154494 0.696349 ESP Fit Center 5830 is at 6.346129 -1.811688 0.696349 ESP Fit Center 5831 is at 6.529979 -1.429918 0.696349 ESP Fit Center 5832 is at 6.642707 -1.021456 0.696349 ESP Fit Center 5833 is at 6.572414 -0.599430 0.292256 ESP Fit Center 5834 is at 6.531658 -0.172619 0.292256 ESP Fit Center 5835 is at 6.410865 0.238766 0.292256 ESP Fit Center 5836 is at 6.214399 0.619856 0.292256 ESP Fit Center 5837 is at 5.949362 0.956879 0.292256 ESP Fit Center 5838 is at 5.625332 1.237652 0.292256 ESP Fit Center 5839 is at 5.254021 1.452028 0.292256 ESP Fit Center 5840 is at 5.625332 -2.436513 0.292256 ESP Fit Center 5841 is at 5.949362 -2.155740 0.292256 ESP Fit Center 5842 is at 6.214399 -1.818717 0.292256 ESP Fit Center 5843 is at 6.410865 -1.437627 0.292256 ESP Fit Center 5844 is at 6.531658 -1.026242 0.292256 ESP Fit Center 5845 is at 6.395613 -0.599430 -0.086896 ESP Fit Center 5846 is at 6.353066 -0.181039 -0.086896 ESP Fit Center 5847 is at 6.227170 0.220223 -0.086896 ESP Fit Center 5848 is at 6.023076 0.587928 -0.086896 ESP Fit Center 5849 is at 5.749143 0.907023 -0.086896 ESP Fit Center 5850 is at 5.416583 1.164444 -0.086896 ESP Fit Center 5851 is at 5.749143 -2.105884 -0.086896 ESP Fit Center 5852 is at 6.023076 -1.786789 -0.086896 ESP Fit Center 5853 is at 6.227170 -1.419084 -0.086896 ESP Fit Center 5854 is at 6.353066 -1.017821 -0.086896 ESP Fit Center 5855 is at 6.155658 -0.599430 -0.429586 ESP Fit Center 5856 is at 6.106101 -0.175442 -0.429586 ESP Fit Center 5857 is at 5.960101 0.225690 -0.429586 ESP Fit Center 5858 is at 5.725529 0.582339 -0.429586 ESP Fit Center 5859 is at 5.415032 0.875278 -0.429586 ESP Fit Center 5860 is at 5.725529 -1.781200 -0.429586 ESP Fit Center 5861 is at 5.960101 -1.424551 -0.429586 ESP Fit Center 5862 is at 6.106101 -1.023419 -0.429586 ESP Fit Center 5863 is at 5.859842 -0.599430 -0.725402 ESP Fit Center 5864 is at 5.802635 -0.183218 -0.725402 ESP Fit Center 5865 is at 5.635256 0.202127 -0.725402 ESP Fit Center 5866 is at 5.802635 -1.015643 -0.725402 ESP Fit Center 5867 is at 5.517152 -0.599430 -0.965357 ESP Fit Center 5868 is at 2.858632 -0.016100 4.299672 ESP Fit Center 5869 is at 3.275388 -0.016100 4.263211 ESP Fit Center 5870 is at 3.067010 0.344821 4.263211 ESP Fit Center 5871 is at 2.650255 0.344821 4.263211 ESP Fit Center 5872 is at 2.441877 -0.016100 4.263211 ESP Fit Center 5873 is at 2.650255 -0.377021 4.263211 ESP Fit Center 5874 is at 3.067010 -0.377021 4.263211 ESP Fit Center 5875 is at 3.679481 -0.016100 4.154934 ESP Fit Center 5876 is at 3.569508 0.394324 4.154934 ESP Fit Center 5877 is at 3.269057 0.694776 4.154934 ESP Fit Center 5878 is at 2.858632 0.804749 4.154934 ESP Fit Center 5879 is at 2.448208 0.694776 4.154934 ESP Fit Center 5880 is at 2.147757 0.394324 4.154934 ESP Fit Center 5881 is at 2.037784 -0.016100 4.154934 ESP Fit Center 5882 is at 2.147757 -0.426524 4.154934 ESP Fit Center 5883 is at 2.448208 -0.726975 4.154934 ESP Fit Center 5884 is at 2.858632 -0.836948 4.154934 ESP Fit Center 5885 is at 3.569508 -0.426524 4.154934 ESP Fit Center 5886 is at 4.058632 -0.016100 3.978133 ESP Fit Center 5887 is at 3.986264 0.394324 3.978133 ESP Fit Center 5888 is at 3.777886 0.755245 3.978133 ESP Fit Center 5889 is at 3.458632 1.023131 3.978133 ESP Fit Center 5890 is at 3.067010 1.165670 3.978133 ESP Fit Center 5891 is at 2.650255 1.165670 3.978133 ESP Fit Center 5892 is at 2.258632 1.023131 3.978133 ESP Fit Center 5893 is at 1.939379 0.755245 3.978133 ESP Fit Center 5894 is at 1.731001 0.394324 3.978133 ESP Fit Center 5895 is at 1.658632 -0.016100 3.978133 ESP Fit Center 5896 is at 1.731001 -0.426524 3.978133 ESP Fit Center 5897 is at 1.939379 -0.787445 3.978133 ESP Fit Center 5898 is at 2.258632 -1.055330 3.978133 ESP Fit Center 5899 is at 4.344116 0.400113 3.738179 ESP Fit Center 5900 is at 4.176737 0.785457 3.738179 ESP Fit Center 5901 is at 3.911601 1.111354 3.738179 ESP Fit Center 5902 is at 3.568370 1.353632 3.738179 ESP Fit Center 5903 is at 3.172502 1.494324 3.738179 ESP Fit Center 5904 is at 2.753356 1.522994 3.738179 ESP Fit Center 5905 is at 2.342017 1.437517 3.738179 ESP Fit Center 5906 is at 1.968993 1.244232 3.738179 ESP Fit Center 5907 is at 1.661950 0.957473 3.738179 ESP Fit Center 5908 is at 1.443659 0.598510 3.738179 ESP Fit Center 5909 is at 1.330311 0.193963 3.738179 ESP Fit Center 5910 is at 1.330311 -0.226163 3.738179 ESP Fit Center 5911 is at 1.443659 -0.630709 3.738179 ESP Fit Center 5912 is at 1.661950 -0.989673 3.738179 ESP Fit Center 5913 is at 4.501582 0.809021 3.442362 ESP Fit Center 5914 is at 4.267010 1.165670 3.442362 ESP Fit Center 5915 is at 3.956512 1.458609 3.442362 ESP Fit Center 5916 is at 3.586828 1.672047 3.442362 ESP Fit Center 5917 is at 3.177886 1.794476 3.442362 ESP Fit Center 5918 is at 2.751733 1.819296 3.442362 ESP Fit Center 5919 is at 2.331343 1.745170 3.442362 ESP Fit Center 5920 is at 1.939379 1.576094 3.442362 ESP Fit Center 5921 is at 1.596973 1.321182 3.442362 ESP Fit Center 5922 is at 1.322583 0.994176 3.442362 ESP Fit Center 5923 is at 1.131001 0.612707 3.442362 ESP Fit Center 5924 is at 1.032557 0.197338 3.442362 ESP Fit Center 5925 is at 1.032557 -0.229537 3.442362 ESP Fit Center 5926 is at 1.131001 -0.644906 3.442362 ESP Fit Center 5927 is at 4.564557 1.171259 3.099672 ESP Fit Center 5928 is at 4.290623 1.490354 3.099672 ESP Fit Center 5929 is at 3.958063 1.747774 3.099672 ESP Fit Center 5930 is at 3.580493 1.932981 3.099672 ESP Fit Center 5931 is at 3.173369 2.038393 3.099672 ESP Fit Center 5932 is at 2.753360 2.059694 3.099672 ESP Fit Center 5933 is at 2.337661 1.996011 3.099672 ESP Fit Center 5934 is at 1.943290 1.849952 3.099672 ESP Fit Center 5935 is at 1.586394 1.627497 3.099672 ESP Fit Center 5936 is at 1.281583 1.337753 3.099672 ESP Fit Center 5937 is at 1.041337 0.992581 3.099672 ESP Fit Center 5938 is at 0.875491 0.606115 3.099672 ESP Fit Center 5939 is at 0.790835 0.194175 3.099672 ESP Fit Center 5940 is at 0.790835 -0.226374 3.099672 ESP Fit Center 5941 is at 0.875491 -0.638314 3.099672 ESP Fit Center 5942 is at 4.490843 1.540209 2.720520 ESP Fit Center 5943 is at 4.166813 1.820983 2.720520 ESP Fit Center 5944 is at 3.795502 2.035359 2.720520 ESP Fit Center 5945 is at 3.390331 2.175590 2.720520 ESP Fit Center 5946 is at 2.965942 2.236608 2.720520 ESP Fit Center 5947 is at 2.537675 2.216207 2.720520 ESP Fit Center 5948 is at 2.121008 2.115125 2.720520 ESP Fit Center 5949 is at 4.332275 1.831789 2.316428 ESP Fit Center 5950 is at 3.978639 2.065222 2.316428 ESP Fit Center 5951 is at 3.589006 2.231759 2.316428 ESP Fit Center 5952 is at -0.023147 4.151859 2.006301 ESP Fit Center 5953 is at -0.439902 4.151859 2.006301 ESP Fit Center 5954 is at -0.831524 4.009321 2.006301 ESP Fit Center 5955 is at 0.478213 4.339822 1.766346 ESP Fit Center 5956 is at 0.082345 4.480514 1.766346 ESP Fit Center 5957 is at -0.336801 4.509184 1.766346 ESP Fit Center 5958 is at -0.748140 4.423707 1.766346 ESP Fit Center 5959 is at -1.121163 4.230422 1.766346 ESP Fit Center 5960 is at -1.428207 3.943663 1.766346 ESP Fit Center 5961 is at 0.866356 4.444799 1.470530 ESP Fit Center 5962 is at 0.496671 4.658237 1.470530 ESP Fit Center 5963 is at 0.087729 4.780666 1.470530 ESP Fit Center 5964 is at -0.338424 4.805486 1.470530 ESP Fit Center 5965 is at -0.758814 4.731360 1.470530 ESP Fit Center 5966 is at -1.150778 4.562284 1.470530 ESP Fit Center 5967 is at -1.493184 4.307371 1.470530 ESP Fit Center 5968 is at 1.200466 4.476544 1.127840 ESP Fit Center 5969 is at 0.867907 4.733964 1.127840 ESP Fit Center 5970 is at 0.490336 4.919171 1.127840 ESP Fit Center 5971 is at 0.083212 5.024583 1.127840 ESP Fit Center 5972 is at -0.336797 5.045883 1.127840 ESP Fit Center 5973 is at -0.752496 4.982201 1.127840 ESP Fit Center 5974 is at -1.146866 4.836142 1.127840 ESP Fit Center 5975 is at -1.503763 4.613687 1.127840 ESP Fit Center 5976 is at -1.808574 4.323942 1.127840 ESP Fit Center 5977 is at 1.076656 4.807173 0.748688 ESP Fit Center 5978 is at 0.705345 5.021549 0.748688 ESP Fit Center 5979 is at 0.300174 5.161780 0.748688 ESP Fit Center 5980 is at -0.124215 5.222798 0.748688 ESP Fit Center 5981 is at -0.552482 5.202397 0.748688 ESP Fit Center 5982 is at -0.969148 5.101315 0.748688 ESP Fit Center 5983 is at -1.359156 4.923205 0.748688 ESP Fit Center 5984 is at -1.708407 4.674504 0.748688 ESP Fit Center 5985 is at 1.242118 4.817979 0.344595 ESP Fit Center 5986 is at 0.888483 5.051412 0.344595 ESP Fit Center 5987 is at 0.498849 5.217949 0.344595 ESP Fit Center 5988 is at 0.085741 5.312238 0.344595 ESP Fit Center 5989 is at -0.337564 5.331249 0.344595 ESP Fit Center 5990 is at -0.757461 5.274370 0.344595 ESP Fit Center 5991 is at -1.160454 5.143429 0.344595 ESP Fit Center 5992 is at -1.533591 4.942636 0.344595 ESP Fit Center 5993 is at -1.864878 4.678444 0.344595 ESP Fit Center 5994 is at 0.968476 5.048551 -0.072160 ESP Fit Center 5995 is at 0.589324 5.225352 -0.072160 ESP Fit Center 5996 is at 0.185231 5.333629 -0.072160 ESP Fit Center 5997 is at -0.231524 5.370090 -0.072160 ESP Fit Center 5998 is at -0.648280 5.333629 -0.072160 ESP Fit Center 5999 is at -1.052373 5.225352 -0.072160 ESP Fit Center 6000 is at -1.431524 5.048551 -0.072160 ESP Fit Center 6001 is at -1.774215 4.808597 -0.072160 ESP Fit Center 6002 is at 1.242118 4.817979 -0.488916 ESP Fit Center 6003 is at 0.888483 5.051412 -0.488916 ESP Fit Center 6004 is at 0.498849 5.217949 -0.488916 ESP Fit Center 6005 is at 0.085741 5.312238 -0.488916 ESP Fit Center 6006 is at -0.337564 5.331249 -0.488916 ESP Fit Center 6007 is at -0.757461 5.274370 -0.488916 ESP Fit Center 6008 is at -1.160454 5.143429 -0.488916 ESP Fit Center 6009 is at -1.533591 4.942636 -0.488916 ESP Fit Center 6010 is at -1.864878 4.678444 -0.488916 ESP Fit Center 6011 is at 1.076656 4.807173 -0.893009 ESP Fit Center 6012 is at 0.705345 5.021549 -0.893009 ESP Fit Center 6013 is at 0.300174 5.161780 -0.893009 ESP Fit Center 6014 is at -0.124215 5.222798 -0.893009 ESP Fit Center 6015 is at -0.552482 5.202397 -0.893009 ESP Fit Center 6016 is at -0.969148 5.101315 -0.893009 ESP Fit Center 6017 is at -1.359156 4.923205 -0.893009 ESP Fit Center 6018 is at -1.708407 4.674504 -0.893009 ESP Fit Center 6019 is at 0.867907 4.733964 -1.272160 ESP Fit Center 6020 is at 0.490336 4.919171 -1.272160 ESP Fit Center 6021 is at 0.083212 5.024583 -1.272160 ESP Fit Center 6022 is at -0.336797 5.045883 -1.272160 ESP Fit Center 6023 is at -0.752496 4.982201 -1.272160 ESP Fit Center 6024 is at -1.146866 4.836142 -1.272160 ESP Fit Center 6025 is at -1.503763 4.613687 -1.272160 ESP Fit Center 6026 is at -1.808574 4.323942 -1.272160 ESP Fit Center 6027 is at 0.866356 4.444799 -1.614851 ESP Fit Center 6028 is at 0.496671 4.658237 -1.614851 ESP Fit Center 6029 is at 0.087729 4.780666 -1.614851 ESP Fit Center 6030 is at -0.338424 4.805486 -1.614851 ESP Fit Center 6031 is at -0.758814 4.731360 -1.614851 ESP Fit Center 6032 is at -1.150778 4.562284 -1.614851 ESP Fit Center 6033 is at -1.493184 4.307371 -1.614851 ESP Fit Center 6034 is at -1.767574 3.980366 -1.614851 ESP Fit Center 6035 is at 0.478213 4.339822 -1.910667 ESP Fit Center 6036 is at 0.082345 4.480514 -1.910667 ESP Fit Center 6037 is at -0.336801 4.509184 -1.910667 ESP Fit Center 6038 is at -0.748140 4.423707 -1.910667 ESP Fit Center 6039 is at -1.121163 4.230422 -1.910667 ESP Fit Center 6040 is at -1.428207 3.943663 -1.910667 ESP Fit Center 6041 is at -0.023147 4.151859 -2.150621 ESP Fit Center 6042 is at -0.439902 4.151859 -2.150621 ESP Fit Center 6043 is at -0.831524 4.009321 -2.150621 ESP Fit Center 6044 is at -0.000177 -3.004651 1.991155 ESP Fit Center 6045 is at 0.416579 -3.004651 1.991155 ESP Fit Center 6046 is at 0.808201 -2.862113 1.991155 ESP Fit Center 6047 is at 0.102924 -3.361976 1.751201 ESP Fit Center 6048 is at 0.522071 -3.333306 1.751201 ESP Fit Center 6049 is at 0.917939 -3.192614 1.751201 ESP Fit Center 6050 is at 0.101301 -3.658278 1.455385 ESP Fit Center 6051 is at 0.527454 -3.633458 1.455385 ESP Fit Center 6052 is at 0.936396 -3.511029 1.455385 ESP Fit Center 6053 is at 0.102929 -3.898675 1.112694 ESP Fit Center 6054 is at 0.522938 -3.877375 1.112694 ESP Fit Center 6055 is at 0.930061 -3.771963 1.112694 ESP Fit Center 6056 is at 1.307632 -3.586756 1.112694 ESP Fit Center 6057 is at 0.315511 -4.075590 0.733543 ESP Fit Center 6058 is at 0.739899 -4.014572 0.733543 ESP Fit Center 6059 is at 1.145071 -3.874341 0.733543 ESP Fit Center 6060 is at 0.102161 -4.184041 0.329450 ESP Fit Center 6061 is at 0.525466 -4.165030 0.329450 ESP Fit Center 6062 is at 0.938575 -4.070741 0.329450 ESP Fit Center 6063 is at 0.208201 -4.222882 -0.087306 ESP Fit Center 6064 is at 0.624957 -4.186421 -0.087306 ESP Fit Center 6065 is at 0.102161 -4.184041 -0.504061 ESP Fit Center 6066 is at 0.525466 -4.165030 -0.504061 ESP Fit Center 6067 is at -0.112756 -4.055189 -0.908154 ESP Fit Center 6068 is at 0.315511 -4.075590 -0.908154 ESP Fit Center 6069 is at 0.102929 -3.898675 -1.287306 ESP Fit Center 6070 is at 0.522938 -3.877375 -1.287306 ESP Fit Center 6071 is at -0.319089 -3.584152 -1.629996 ESP Fit Center 6072 is at 0.101301 -3.658278 -1.629996 ESP Fit Center 6073 is at -0.308415 -3.276499 -1.925812 ESP Fit Center 6074 is at 0.102924 -3.361976 -1.925812 ESP Fit Center 6075 is at -0.391799 -2.862113 -2.165767 ESP Fit Center 6076 is at -0.000177 -3.004651 -2.165767 ESP Fit Center 6077 is at -2.402140 -1.037700 3.034933 ESP Fit Center 6078 is at -1.993640 -1.037700 3.006991 ESP Fit Center 6079 is at -2.197890 -0.683928 3.006991 ESP Fit Center 6080 is at -2.606390 -0.683928 3.006991 ESP Fit Center 6081 is at -2.810640 -1.037700 3.006991 ESP Fit Center 6082 is at -2.606390 -1.391471 3.006991 ESP Fit Center 6083 is at -2.197890 -1.391471 3.006991 ESP Fit Center 6084 is at -1.592750 -1.037700 2.923685 ESP Fit Center 6085 is at -1.701187 -0.633004 2.923685 ESP Fit Center 6086 is at -1.997445 -0.336747 2.923685 ESP Fit Center 6087 is at -2.402140 -0.228309 2.923685 ESP Fit Center 6088 is at -3.211530 -1.037700 2.923685 ESP Fit Center 6089 is at -3.103092 -1.442395 2.923685 ESP Fit Center 6090 is at -2.806835 -1.738652 2.923685 ESP Fit Center 6091 is at -2.402140 -1.847090 2.923685 ESP Fit Center 6092 is at -1.997445 -1.738652 2.923685 ESP Fit Center 6093 is at -1.701187 -1.442395 2.923685 ESP Fit Center 6094 is at -2.194595 0.139346 2.786567 ESP Fit Center 6095 is at -3.525264 -1.446483 2.786567 ESP Fit Center 6096 is at -3.317719 -1.805961 2.786567 ESP Fit Center 6097 is at -2.999742 -2.072776 2.786567 ESP Fit Center 6098 is at -1.804538 -2.072776 2.786567 ESP Fit Center 6099 is at -1.486561 -1.805961 2.786567 ESP Fit Center 6100 is at -1.279016 -1.446483 2.786567 ESP Fit Center 6101 is at -3.831845 -1.658708 2.598191 ESP Fit Center 6102 is at -3.611281 -2.021409 2.598191 ESP Fit Center 6103 is at -1.070312 -1.847602 2.598191 ESP Fit Center 6104 is at -4.024397 -2.013779 2.362067 ESP Fit Center 6105 is at -4.024397 -2.013779 -2.292201 ESP Fit Center 6106 is at -2.924134 0.431051 -2.528325 ESP Fit Center 6107 is at -3.831845 -1.658708 -2.528325 ESP Fit Center 6108 is at -3.611281 -2.021409 -2.528325 ESP Fit Center 6109 is at -2.609685 0.139346 -2.716701 ESP Fit Center 6110 is at -2.999742 -0.002623 -2.716701 ESP Fit Center 6111 is at -3.317719 -0.269438 -2.716701 ESP Fit Center 6112 is at -3.525264 -0.628916 -2.716701 ESP Fit Center 6113 is at -3.597343 -1.037700 -2.716701 ESP Fit Center 6114 is at -3.525264 -1.446483 -2.716701 ESP Fit Center 6115 is at -3.317719 -1.805961 -2.716701 ESP Fit Center 6116 is at -2.999742 -2.072776 -2.716701 ESP Fit Center 6117 is at -1.804538 -2.072776 -2.716701 ESP Fit Center 6118 is at -1.486561 -1.805961 -2.716701 ESP Fit Center 6119 is at -2.402140 -0.228309 -2.853819 ESP Fit Center 6120 is at -2.806835 -0.336747 -2.853819 ESP Fit Center 6121 is at -3.103092 -0.633004 -2.853819 ESP Fit Center 6122 is at -3.211530 -1.037700 -2.853819 ESP Fit Center 6123 is at -3.103092 -1.442395 -2.853819 ESP Fit Center 6124 is at -2.806835 -1.738652 -2.853819 ESP Fit Center 6125 is at -2.402140 -1.847090 -2.853819 ESP Fit Center 6126 is at -1.997445 -1.738652 -2.853819 ESP Fit Center 6127 is at -1.701187 -1.442395 -2.853819 ESP Fit Center 6128 is at -1.993640 -1.037700 -2.937125 ESP Fit Center 6129 is at -2.197890 -0.683928 -2.937125 ESP Fit Center 6130 is at -2.606390 -0.683928 -2.937125 ESP Fit Center 6131 is at -2.810640 -1.037700 -2.937125 ESP Fit Center 6132 is at -2.606390 -1.391471 -2.937125 ESP Fit Center 6133 is at -2.197890 -1.391471 -2.937125 ESP Fit Center 6134 is at -2.402140 -1.037700 -2.965067 ESP Fit Center 6135 is at 2.815665 -2.091090 3.878518 ESP Fit Center 6136 is at 3.232421 -2.091090 3.878518 ESP Fit Center 6137 is at 2.313167 -2.140593 3.770242 ESP Fit Center 6138 is at 2.613619 -2.441044 3.770242 ESP Fit Center 6139 is at 3.024043 -2.551017 3.770242 ESP Fit Center 6140 is at 3.434467 -2.441044 3.770242 ESP Fit Center 6141 is at 3.734919 -2.140593 3.770242 ESP Fit Center 6142 is at 1.896412 -2.140593 3.593441 ESP Fit Center 6143 is at 2.104790 -2.501514 3.593441 ESP Fit Center 6144 is at 2.424043 -2.769399 3.593441 ESP Fit Center 6145 is at 2.815665 -2.911938 3.593441 ESP Fit Center 6146 is at 3.232421 -2.911938 3.593441 ESP Fit Center 6147 is at 3.624043 -2.769399 3.593441 ESP Fit Center 6148 is at 3.943296 -2.501514 3.593441 ESP Fit Center 6149 is at 1.495721 -1.940232 3.353486 ESP Fit Center 6150 is at 1.609070 -2.344778 3.353486 ESP Fit Center 6151 is at 1.827361 -2.703742 3.353486 ESP Fit Center 6152 is at 2.134404 -2.990500 3.353486 ESP Fit Center 6153 is at 2.507428 -3.183785 3.353486 ESP Fit Center 6154 is at 2.918766 -3.269263 3.353486 ESP Fit Center 6155 is at 3.337913 -3.240592 3.353486 ESP Fit Center 6156 is at 3.733781 -3.099901 3.353486 ESP Fit Center 6157 is at 4.077011 -2.857622 3.353486 ESP Fit Center 6158 is at 4.342148 -2.531726 3.353486 ESP Fit Center 6159 is at 1.197968 -1.943606 3.057670 ESP Fit Center 6160 is at 1.296412 -2.358975 3.057670 ESP Fit Center 6161 is at 1.487993 -2.740445 3.057670 ESP Fit Center 6162 is at 1.762383 -3.067450 3.057670 ESP Fit Center 6163 is at 2.104790 -3.322362 3.057670 ESP Fit Center 6164 is at 2.496753 -3.491439 3.057670 ESP Fit Center 6165 is at 2.917143 -3.565565 3.057670 ESP Fit Center 6166 is at 3.343296 -3.540744 3.057670 ESP Fit Center 6167 is at 3.752238 -3.418315 3.057670 ESP Fit Center 6168 is at 4.121923 -3.204877 3.057670 ESP Fit Center 6169 is at 4.432421 -2.911938 3.057670 ESP Fit Center 6170 is at 4.666993 -2.555289 3.057670 ESP Fit Center 6171 is at 0.956246 -1.940443 2.714980 ESP Fit Center 6172 is at 1.040902 -2.352383 2.714980 ESP Fit Center 6173 is at 1.206748 -2.738850 2.714980 ESP Fit Center 6174 is at 1.446994 -3.084021 2.714980 ESP Fit Center 6175 is at 1.751805 -3.373765 2.714980 ESP Fit Center 6176 is at 2.108701 -3.596220 2.714980 ESP Fit Center 6177 is at 2.503072 -3.742279 2.714980 ESP Fit Center 6178 is at 2.918771 -3.805962 2.714980 ESP Fit Center 6179 is at 3.338780 -3.784661 2.714980 ESP Fit Center 6180 is at 3.745903 -3.679250 2.714980 ESP Fit Center 6181 is at 4.123474 -3.494043 2.714980 ESP Fit Center 6182 is at 4.456034 -3.236622 2.714980 ESP Fit Center 6183 is at 4.729968 -2.917527 2.714980 ESP Fit Center 6184 is at 0.860135 -2.365549 2.335828 ESP Fit Center 6185 is at 1.019486 -2.763590 2.335828 ESP Fit Center 6186 is at 1.251287 -3.124279 2.335828 ESP Fit Center 6187 is at 1.547160 -3.434582 2.335828 ESP Fit Center 6188 is at 1.896412 -3.683283 2.335828 ESP Fit Center 6189 is at 2.286419 -3.861393 2.335828 ESP Fit Center 6190 is at 2.703086 -3.962476 2.335828 ESP Fit Center 6191 is at 3.131353 -3.982876 2.335828 ESP Fit Center 6192 is at 3.555741 -3.921859 2.335828 ESP Fit Center 6193 is at 3.960913 -3.781627 2.335828 ESP Fit Center 6194 is at 4.332223 -3.567251 2.335828 ESP Fit Center 6195 is at 4.656253 -3.286478 2.335828 ESP Fit Center 6196 is at 4.921290 -2.949455 2.335828 ESP Fit Center 6197 is at 1.111900 -3.119422 1.931735 ESP Fit Center 6198 is at 1.390690 -3.438522 1.931735 ESP Fit Center 6199 is at 1.721977 -3.702715 1.931735 ESP Fit Center 6200 is at 2.095113 -3.903508 1.931735 ESP Fit Center 6201 is at 2.498106 -4.034448 1.931735 ESP Fit Center 6202 is at 2.918003 -4.091327 1.931735 ESP Fit Center 6203 is at 3.341309 -4.072317 1.931735 ESP Fit Center 6204 is at 3.754417 -3.978027 1.931735 ESP Fit Center 6205 is at 4.144050 -3.811490 1.931735 ESP Fit Center 6206 is at 4.497685 -3.578058 1.931735 ESP Fit Center 6207 is at 4.803957 -3.285232 1.931735 ESP Fit Center 6208 is at 1.481353 -3.568675 1.514980 ESP Fit Center 6209 is at 1.824043 -3.808630 1.514980 ESP Fit Center 6210 is at 2.203195 -3.985431 1.514980 ESP Fit Center 6211 is at 2.607287 -4.093707 1.514980 ESP Fit Center 6212 is at 3.024043 -4.130169 1.514980 ESP Fit Center 6213 is at 3.440799 -4.093707 1.514980 ESP Fit Center 6214 is at 3.844891 -3.985431 1.514980 ESP Fit Center 6215 is at 4.224043 -3.808630 1.514980 ESP Fit Center 6216 is at 4.566733 -3.568675 1.514980 ESP Fit Center 6217 is at 4.862550 -3.272859 1.514980 ESP Fit Center 6218 is at 2.095113 -3.903508 1.098224 ESP Fit Center 6219 is at 2.498106 -4.034448 1.098224 ESP Fit Center 6220 is at 2.918003 -4.091327 1.098224 ESP Fit Center 6221 is at 3.341309 -4.072317 1.098224 ESP Fit Center 6222 is at 3.754417 -3.978027 1.098224 ESP Fit Center 6223 is at 4.144050 -3.811490 1.098224 ESP Fit Center 6224 is at 4.497685 -3.578058 1.098224 ESP Fit Center 6225 is at 4.803957 -3.285232 1.098224 ESP Fit Center 6226 is at 3.303811 -4.094516 0.649212 ESP Fit Center 6227 is at 3.729964 -4.069696 0.649212 ESP Fit Center 6228 is at 4.138906 -3.947266 0.649212 ESP Fit Center 6229 is at 4.508591 -3.733829 0.649212 ESP Fit Center 6230 is at 4.819088 -3.440889 0.649212 ESP Fit Center 6231 is at 5.053660 -3.084240 0.649212 ESP Fit Center 6232 is at 3.305438 -4.334913 0.306522 ESP Fit Center 6233 is at 3.725447 -4.313613 0.306522 ESP Fit Center 6234 is at 4.132571 -4.208201 0.306522 ESP Fit Center 6235 is at 4.510142 -4.022994 0.306522 ESP Fit Center 6236 is at 4.842701 -3.765573 0.306522 ESP Fit Center 6237 is at 5.116635 -3.446479 0.306522 ESP Fit Center 6238 is at 5.320728 -3.078773 0.306522 ESP Fit Center 6239 is at 5.446625 -2.677511 0.306522 ESP Fit Center 6240 is at 5.665973 -2.259120 -0.072630 ESP Fit Center 6241 is at 3.089753 -4.491427 -0.072630 ESP Fit Center 6242 is at 3.518020 -4.511828 -0.072630 ESP Fit Center 6243 is at 3.942409 -4.450810 -0.072630 ESP Fit Center 6244 is at 4.347580 -4.310579 -0.072630 ESP Fit Center 6245 is at 4.718891 -4.096202 -0.072630 ESP Fit Center 6246 is at 5.042921 -3.815429 -0.072630 ESP Fit Center 6247 is at 5.307958 -3.478407 -0.072630 ESP Fit Center 6248 is at 5.504424 -3.097316 -0.072630 ESP Fit Center 6249 is at 5.625217 -2.685931 -0.072630 ESP Fit Center 6250 is at 5.774249 -2.259120 -0.476722 ESP Fit Center 6251 is at 5.736266 -1.837094 -0.476722 ESP Fit Center 6252 is at 3.304671 -4.620279 -0.476722 ESP Fit Center 6253 is at 3.727976 -4.601268 -0.476722 ESP Fit Center 6254 is at 4.141084 -4.506979 -0.476722 ESP Fit Center 6255 is at 4.530717 -4.340441 -0.476722 ESP Fit Center 6256 is at 4.884353 -4.107009 -0.476722 ESP Fit Center 6257 is at 5.190624 -3.814184 -0.476722 ESP Fit Center 6258 is at 5.439687 -3.471377 -0.476722 ESP Fit Center 6259 is at 5.623538 -3.089608 -0.476722 ESP Fit Center 6260 is at 5.736266 -2.681146 -0.476722 ESP Fit Center 6261 is at 5.810710 -2.259120 -0.893478 ESP Fit Center 6262 is at 5.774249 -1.842364 -0.893478 ESP Fit Center 6263 is at 5.665973 -1.438272 -0.893478 ESP Fit Center 6264 is at 2.993955 -4.622659 -0.893478 ESP Fit Center 6265 is at 3.410710 -4.659120 -0.893478 ESP Fit Center 6266 is at 3.827466 -4.622659 -0.893478 ESP Fit Center 6267 is at 4.231559 -4.514382 -0.893478 ESP Fit Center 6268 is at 4.610710 -4.337581 -0.893478 ESP Fit Center 6269 is at 4.953401 -4.097627 -0.893478 ESP Fit Center 6270 is at 5.249217 -3.801810 -0.893478 ESP Fit Center 6271 is at 5.489171 -3.459120 -0.893478 ESP Fit Center 6272 is at 5.665973 -3.079968 -0.893478 ESP Fit Center 6273 is at 5.774249 -2.675876 -0.893478 ESP Fit Center 6274 is at 5.774249 -2.259120 -1.310234 ESP Fit Center 6275 is at 5.736266 -1.837094 -1.310234 ESP Fit Center 6276 is at 5.623538 -1.428632 -1.310234 ESP Fit Center 6277 is at 5.439687 -1.046863 -1.310234 ESP Fit Center 6278 is at 2.884774 -4.563400 -1.310234 ESP Fit Center 6279 is at 3.304671 -4.620279 -1.310234 ESP Fit Center 6280 is at 3.727976 -4.601268 -1.310234 ESP Fit Center 6281 is at 4.141084 -4.506979 -1.310234 ESP Fit Center 6282 is at 4.530717 -4.340441 -1.310234 ESP Fit Center 6283 is at 4.884353 -4.107009 -1.310234 ESP Fit Center 6284 is at 5.190624 -3.814184 -1.310234 ESP Fit Center 6285 is at 5.439687 -3.471377 -1.310234 ESP Fit Center 6286 is at 5.623538 -3.089608 -1.310234 ESP Fit Center 6287 is at 5.736266 -2.681146 -1.310234 ESP Fit Center 6288 is at 5.665973 -2.259120 -1.714326 ESP Fit Center 6289 is at 5.625217 -1.832309 -1.714326 ESP Fit Center 6290 is at 5.504424 -1.420924 -1.714326 ESP Fit Center 6291 is at 5.307958 -1.039833 -1.714326 ESP Fit Center 6292 is at 3.089753 -4.491427 -1.714326 ESP Fit Center 6293 is at 3.518020 -4.511828 -1.714326 ESP Fit Center 6294 is at 3.942409 -4.450810 -1.714326 ESP Fit Center 6295 is at 4.347580 -4.310579 -1.714326 ESP Fit Center 6296 is at 4.718891 -4.096202 -1.714326 ESP Fit Center 6297 is at 5.042921 -3.815429 -1.714326 ESP Fit Center 6298 is at 5.307958 -3.478407 -1.714326 ESP Fit Center 6299 is at 5.504424 -3.097316 -1.714326 ESP Fit Center 6300 is at 5.625217 -2.685931 -1.714326 ESP Fit Center 6301 is at 5.489171 -2.259120 -2.093478 ESP Fit Center 6302 is at 5.446625 -1.840729 -2.093478 ESP Fit Center 6303 is at 5.320728 -1.439467 -2.093478 ESP Fit Center 6304 is at 5.116635 -1.071761 -2.093478 ESP Fit Center 6305 is at 3.305438 -4.334913 -2.093478 ESP Fit Center 6306 is at 3.725447 -4.313613 -2.093478 ESP Fit Center 6307 is at 4.132571 -4.208201 -2.093478 ESP Fit Center 6308 is at 4.510142 -4.022994 -2.093478 ESP Fit Center 6309 is at 4.842701 -3.765573 -2.093478 ESP Fit Center 6310 is at 5.116635 -3.446479 -2.093478 ESP Fit Center 6311 is at 5.320728 -3.078773 -2.093478 ESP Fit Center 6312 is at 5.446625 -2.677511 -2.093478 ESP Fit Center 6313 is at 5.249217 -2.259120 -2.436168 ESP Fit Center 6314 is at 5.199660 -1.835131 -2.436168 ESP Fit Center 6315 is at 5.053660 -1.434000 -2.436168 ESP Fit Center 6316 is at 4.819088 -1.077351 -2.436168 ESP Fit Center 6317 is at 3.303811 -4.094516 -2.436168 ESP Fit Center 6318 is at 3.729964 -4.069696 -2.436168 ESP Fit Center 6319 is at 4.138906 -3.947266 -2.436168 ESP Fit Center 6320 is at 4.508591 -3.733829 -2.436168 ESP Fit Center 6321 is at 4.819088 -3.440889 -2.436168 ESP Fit Center 6322 is at 5.053660 -3.084240 -2.436168 ESP Fit Center 6323 is at 5.199660 -2.683109 -2.436168 ESP Fit Center 6324 is at 4.953401 -2.259120 -2.731985 ESP Fit Center 6325 is at 4.896194 -1.842907 -2.731985 ESP Fit Center 6326 is at 4.728815 -1.457563 -2.731985 ESP Fit Center 6327 is at 4.463679 -1.131666 -2.731985 ESP Fit Center 6328 is at 3.305434 -3.798214 -2.731985 ESP Fit Center 6329 is at 3.724580 -3.769543 -2.731985 ESP Fit Center 6330 is at 4.120448 -3.628852 -2.731985 ESP Fit Center 6331 is at 4.463679 -3.386573 -2.731985 ESP Fit Center 6332 is at 4.728815 -3.060677 -2.731985 ESP Fit Center 6333 is at 4.896194 -2.675333 -2.731985 ESP Fit Center 6334 is at 4.610710 -2.259120 -2.971939 ESP Fit Center 6335 is at 4.538342 -1.848696 -2.971939 ESP Fit Center 6336 is at 4.329964 -1.487775 -2.971939 ESP Fit Center 6337 is at 3.202333 -3.440889 -2.971939 ESP Fit Center 6338 is at 3.619088 -3.440889 -2.971939 ESP Fit Center 6339 is at 4.010710 -3.298350 -2.971939 ESP Fit Center 6340 is at 4.329964 -3.030465 -2.971939 ESP Fit Center 6341 is at 4.538342 -2.669544 -2.971939 ESP Fit Center 6342 is at 4.231559 -2.259120 -3.148740 ESP Fit Center 6343 is at 4.121586 -1.848696 -3.148740 ESP Fit Center 6344 is at 3.410710 -3.079968 -3.148740 ESP Fit Center 6345 is at 3.821135 -2.969995 -3.148740 ESP Fit Center 6346 is at 4.121586 -2.669544 -3.148740 ESP Fit Center 6347 is at 3.827466 -2.259120 -3.257017 ESP Fit Center 6348 is at 3.619088 -2.620041 -3.257017 ESP Fit Center 6349 is at -4.328752 -1.421159 2.613822 ESP Fit Center 6350 is at -3.932275 -1.565465 2.613822 ESP Fit Center 6351 is at -5.087293 -1.157695 2.404577 ESP Fit Center 6352 is at -4.836631 -1.484364 2.404577 ESP Fit Center 6353 is at -4.509963 -1.735026 2.404577 ESP Fit Center 6354 is at -4.129549 -1.892598 2.404577 ESP Fit Center 6355 is at -5.526104 -0.977152 2.143654 ESP Fit Center 6356 is at -5.353185 -1.350911 2.143654 ESP Fit Center 6357 is at -5.103961 -1.678760 2.143654 ESP Fit Center 6358 is at -4.790086 -1.945367 2.143654 ESP Fit Center 6359 is at -4.426236 -2.138268 2.143654 ESP Fit Center 6360 is at -5.900530 -0.577137 1.836880 ESP Fit Center 6361 is at -5.821768 -0.985796 1.836880 ESP Fit Center 6362 is at -5.667089 -1.372164 1.836880 ESP Fit Center 6363 is at -5.442085 -1.722277 1.836880 ESP Fit Center 6364 is at -5.154888 -2.023480 1.836880 ESP Fit Center 6365 is at -4.815878 -2.264888 1.836880 ESP Fit Center 6366 is at -6.137450 -0.163404 1.491109 ESP Fit Center 6367 is at -6.137450 -0.574691 1.491109 ESP Fit Center 6368 is at -6.067942 -0.980062 1.491109 ESP Fit Center 6369 is at -5.930926 -1.367855 1.491109 ESP Fit Center 6370 is at -5.730344 -1.726914 1.491109 ESP Fit Center 6371 is at -5.471965 -2.046910 1.491109 ESP Fit Center 6372 is at -5.163223 -2.318637 1.491109 ESP Fit Center 6373 is at -4.813000 -2.534277 1.491109 ESP Fit Center 6374 is at -6.200192 0.436389 1.114064 ESP Fit Center 6375 is at -6.295671 0.038691 1.114064 ESP Fit Center 6376 is at -6.327761 -0.369047 1.114064 ESP Fit Center 6377 is at -6.295671 -0.776785 1.114064 ESP Fit Center 6378 is at -6.200192 -1.174484 1.114064 ESP Fit Center 6379 is at -6.043675 -1.552349 1.114064 ESP Fit Center 6380 is at -5.829974 -1.901078 1.114064 ESP Fit Center 6381 is at -5.564350 -2.212083 1.114064 ESP Fit Center 6382 is at -5.253345 -2.477707 1.114064 ESP Fit Center 6383 is at -4.904616 -2.691408 1.114064 ESP Fit Center 6384 is at -6.067766 1.025931 0.714167 ESP Fit Center 6385 is at -6.253209 0.651398 0.714167 ESP Fit Center 6386 is at -6.379306 0.252947 0.714167 ESP Fit Center 6387 is at -6.443103 -0.160083 0.714167 ESP Fit Center 6388 is at -6.443103 -0.578011 0.714167 ESP Fit Center 6389 is at -6.379306 -0.991041 0.714167 ESP Fit Center 6390 is at -6.253209 -1.389492 0.714167 ESP Fit Center 6391 is at -6.067766 -1.764025 0.714167 ESP Fit Center 6392 is at -5.827324 -2.105861 0.714167 ESP Fit Center 6393 is at -5.537519 -2.406987 0.714167 ESP Fit Center 6394 is at -5.205144 -2.660346 0.714167 ESP Fit Center 6395 is at -5.462204 1.813960 0.300353 ESP Fit Center 6396 is at -5.768120 1.530111 0.300353 ESP Fit Center 6397 is at -6.028314 1.203838 0.300353 ESP Fit Center 6398 is at -6.236973 0.842430 0.300353 ESP Fit Center 6399 is at -6.389437 0.453959 0.300353 ESP Fit Center 6400 is at -6.482299 0.047104 0.300353 ESP Fit Center 6401 is at -6.513485 -0.369047 0.300353 ESP Fit Center 6402 is at -6.482299 -0.785199 0.300353 ESP Fit Center 6403 is at -6.389437 -1.192054 0.300353 ESP Fit Center 6404 is at -6.236973 -1.580525 0.300353 ESP Fit Center 6405 is at -6.028314 -1.941933 0.300353 ESP Fit Center 6406 is at -5.768120 -2.268206 0.300353 ESP Fit Center 6407 is at -5.462204 -2.552054 0.300353 ESP Fit Center 6408 is at -5.117400 -2.787138 0.300353 ESP Fit Center 6409 is at -5.462204 1.813960 -0.118135 ESP Fit Center 6410 is at -5.768120 1.530111 -0.118135 ESP Fit Center 6411 is at -6.028314 1.203838 -0.118135 ESP Fit Center 6412 is at -6.236973 0.842430 -0.118135 ESP Fit Center 6413 is at -6.389437 0.453959 -0.118135 ESP Fit Center 6414 is at -6.482299 0.047104 -0.118135 ESP Fit Center 6415 is at -6.513485 -0.369047 -0.118135 ESP Fit Center 6416 is at -6.482299 -0.785199 -0.118135 ESP Fit Center 6417 is at -6.389437 -1.192054 -0.118135 ESP Fit Center 6418 is at -6.236973 -1.580525 -0.118135 ESP Fit Center 6419 is at -6.028314 -1.941933 -0.118135 ESP Fit Center 6420 is at -5.768120 -2.268206 -0.118135 ESP Fit Center 6421 is at -5.462204 -2.552054 -0.118135 ESP Fit Center 6422 is at -5.117400 -2.787138 -0.118135 ESP Fit Center 6423 is at -5.205144 1.922251 -0.531950 ESP Fit Center 6424 is at -5.537519 1.668892 -0.531950 ESP Fit Center 6425 is at -5.827324 1.367766 -0.531950 ESP Fit Center 6426 is at -6.067766 1.025931 -0.531950 ESP Fit Center 6427 is at -6.253209 0.651398 -0.531950 ESP Fit Center 6428 is at -6.379306 0.252947 -0.531950 ESP Fit Center 6429 is at -6.443103 -0.160083 -0.531950 ESP Fit Center 6430 is at -6.443103 -0.578011 -0.531950 ESP Fit Center 6431 is at -6.379306 -0.991041 -0.531950 ESP Fit Center 6432 is at -6.253209 -1.389492 -0.531950 ESP Fit Center 6433 is at -6.067766 -1.764025 -0.531950 ESP Fit Center 6434 is at -5.827324 -2.105861 -0.531950 ESP Fit Center 6435 is at -5.537519 -2.406987 -0.531950 ESP Fit Center 6436 is at -5.205144 -2.660346 -0.531950 ESP Fit Center 6437 is at -5.253345 1.739612 -0.931846 ESP Fit Center 6438 is at -5.564350 1.473989 -0.931846 ESP Fit Center 6439 is at -5.829974 1.162984 -0.931846 ESP Fit Center 6440 is at -6.043675 0.814255 -0.931846 ESP Fit Center 6441 is at -6.200192 0.436389 -0.931846 ESP Fit Center 6442 is at -6.295671 0.038691 -0.931846 ESP Fit Center 6443 is at -6.327761 -0.369047 -0.931846 ESP Fit Center 6444 is at -6.295671 -0.776785 -0.931846 ESP Fit Center 6445 is at -6.200192 -1.174484 -0.931846 ESP Fit Center 6446 is at -6.043675 -1.552349 -0.931846 ESP Fit Center 6447 is at -5.829974 -1.901078 -0.931846 ESP Fit Center 6448 is at -5.564350 -2.212083 -0.931846 ESP Fit Center 6449 is at -5.253345 -2.477707 -0.931846 ESP Fit Center 6450 is at -5.163223 1.580542 -1.308891 ESP Fit Center 6451 is at -5.471965 1.308815 -1.308891 ESP Fit Center 6452 is at -5.730344 0.988819 -1.308891 ESP Fit Center 6453 is at -5.930926 0.629760 -1.308891 ESP Fit Center 6454 is at -6.067942 0.241967 -1.308891 ESP Fit Center 6455 is at -6.137450 -0.163404 -1.308891 ESP Fit Center 6456 is at -6.137450 -0.574691 -1.308891 ESP Fit Center 6457 is at -6.067942 -0.980062 -1.308891 ESP Fit Center 6458 is at -5.930926 -1.367855 -1.308891 ESP Fit Center 6459 is at -5.730344 -1.726914 -1.308891 ESP Fit Center 6460 is at -5.471965 -2.046910 -1.308891 ESP Fit Center 6461 is at -5.163223 -2.318637 -1.308891 ESP Fit Center 6462 is at -4.813000 -2.534277 -1.308891 ESP Fit Center 6463 is at -4.815878 1.526793 -1.654663 ESP Fit Center 6464 is at -5.154888 1.285385 -1.654663 ESP Fit Center 6465 is at -5.442085 0.984182 -1.654663 ESP Fit Center 6466 is at -5.667089 0.634069 -1.654663 ESP Fit Center 6467 is at -5.821768 0.247701 -1.654663 ESP Fit Center 6468 is at -5.900530 -0.160957 -1.654663 ESP Fit Center 6469 is at -5.900530 -0.577137 -1.654663 ESP Fit Center 6470 is at -5.821768 -0.985796 -1.654663 ESP Fit Center 6471 is at -5.667089 -1.372164 -1.654663 ESP Fit Center 6472 is at -5.442085 -1.722277 -1.654663 ESP Fit Center 6473 is at -5.154888 -2.023480 -1.654663 ESP Fit Center 6474 is at -4.815878 -2.264888 -1.654663 ESP Fit Center 6475 is at -4.426236 1.400174 -1.961436 ESP Fit Center 6476 is at -4.790086 1.207273 -1.961436 ESP Fit Center 6477 is at -5.103961 0.940665 -1.961436 ESP Fit Center 6478 is at -5.353185 0.612817 -1.961436 ESP Fit Center 6479 is at -5.526104 0.239057 -1.961436 ESP Fit Center 6480 is at -5.614634 -0.163136 -1.961436 ESP Fit Center 6481 is at -5.614634 -0.574958 -1.961436 ESP Fit Center 6482 is at -5.526104 -0.977152 -1.961436 ESP Fit Center 6483 is at -5.353185 -1.350911 -1.961436 ESP Fit Center 6484 is at -5.103961 -1.678760 -1.961436 ESP Fit Center 6485 is at -4.790086 -1.945367 -1.961436 ESP Fit Center 6486 is at -4.426236 -2.138268 -1.961436 ESP Fit Center 6487 is at -4.129549 1.154504 -2.222360 ESP Fit Center 6488 is at -4.509963 0.996931 -2.222360 ESP Fit Center 6489 is at -4.836631 0.746270 -2.222360 ESP Fit Center 6490 is at -5.087293 0.419601 -2.222360 ESP Fit Center 6491 is at -5.244866 0.039187 -2.222360 ESP Fit Center 6492 is at -5.298611 -0.369047 -2.222360 ESP Fit Center 6493 is at -5.244866 -0.777282 -2.222360 ESP Fit Center 6494 is at -5.087293 -1.157695 -2.222360 ESP Fit Center 6495 is at -4.836631 -1.484364 -2.222360 ESP Fit Center 6496 is at -4.509963 -1.735026 -2.222360 ESP Fit Center 6497 is at -3.510354 0.827370 -2.431604 ESP Fit Center 6498 is at -3.932275 0.827370 -2.431604 ESP Fit Center 6499 is at -4.328752 0.683065 -2.431604 ESP Fit Center 6500 is at -4.651962 0.411859 -2.431604 ESP Fit Center 6501 is at -4.862923 0.046464 -2.431604 ESP Fit Center 6502 is at -4.936189 -0.369047 -2.431604 ESP Fit Center 6503 is at -4.862923 -0.784559 -2.431604 ESP Fit Center 6504 is at -4.651962 -1.149954 -2.431604 ESP Fit Center 6505 is at -4.328752 -1.421159 -2.431604 ESP Fit Center 6506 is at -3.308657 0.345696 -2.584495 ESP Fit Center 6507 is at -3.721314 0.456267 -2.584495 ESP Fit Center 6508 is at -4.133972 0.345696 -2.584495 ESP Fit Center 6509 is at -4.436058 0.043610 -2.584495 ESP Fit Center 6510 is at -4.546629 -0.369047 -2.584495 ESP Fit Center 6511 is at -4.436058 -0.781705 -2.584495 ESP Fit Center 6512 is at -4.133972 -1.083791 -2.584495 ESP Fit Center 6513 is at -3.512655 -0.007639 -2.677618 ESP Fit Center 6514 is at -3.929974 -0.007639 -2.677618 ESP Fit Center 6515 is at -4.138633 -0.369047 -2.677618 ESP Fit Center 6516 is at -3.929974 -0.730456 -2.677618 ESP Fit Center 6517 is at -3.721314 -0.369047 -2.708891 ESP Fit Center 6518 is at -2.320898 -2.515404 2.839015 ESP Fit Center 6519 is at -1.903580 -2.515404 2.807741 ESP Fit Center 6520 is at -2.112239 -2.153996 2.807741 ESP Fit Center 6521 is at -2.738217 -2.515404 2.807741 ESP Fit Center 6522 is at -2.529557 -2.876812 2.807741 ESP Fit Center 6523 is at -2.112239 -2.876812 2.807741 ESP Fit Center 6524 is at -1.495584 -2.515404 2.714619 ESP Fit Center 6525 is at -3.146213 -2.515404 2.714619 ESP Fit Center 6526 is at -3.035642 -2.928061 2.714619 ESP Fit Center 6527 is at -2.733556 -3.230147 2.714619 ESP Fit Center 6528 is at -2.320898 -3.340718 2.714619 ESP Fit Center 6529 is at -1.908241 -3.230147 2.714619 ESP Fit Center 6530 is at -1.606155 -2.928061 2.714619 ESP Fit Center 6531 is at -1.106024 -2.515404 2.561727 ESP Fit Center 6532 is at -1.179290 -2.099892 2.561727 ESP Fit Center 6533 is at -3.535773 -2.515404 2.561727 ESP Fit Center 6534 is at -3.462507 -2.930915 2.561727 ESP Fit Center 6535 is at -3.251546 -3.296310 2.561727 ESP Fit Center 6536 is at -2.928336 -3.567516 2.561727 ESP Fit Center 6537 is at -2.531859 -3.711822 2.561727 ESP Fit Center 6538 is at -2.109938 -3.711822 2.561727 ESP Fit Center 6539 is at -1.713461 -3.567516 2.561727 ESP Fit Center 6540 is at -1.390250 -3.296310 2.561727 ESP Fit Center 6541 is at -1.179290 -2.930915 2.561727 ESP Fit Center 6542 is at -0.743602 -2.515404 2.352483 ESP Fit Center 6543 is at -3.898194 -2.515404 2.352483 ESP Fit Center 6544 is at -3.844449 -2.923638 2.352483 ESP Fit Center 6545 is at -3.686877 -3.304052 2.352483 ESP Fit Center 6546 is at -3.436215 -3.630721 2.352483 ESP Fit Center 6547 is at -3.109546 -3.881382 2.352483 ESP Fit Center 6548 is at -2.729133 -4.038955 2.352483 ESP Fit Center 6549 is at -2.320898 -4.092700 2.352483 ESP Fit Center 6550 is at -1.912664 -4.038955 2.352483 ESP Fit Center 6551 is at -1.532250 -3.881382 2.352483 ESP Fit Center 6552 is at -1.205581 -3.630721 2.352483 ESP Fit Center 6553 is at -0.954920 -3.304052 2.352483 ESP Fit Center 6554 is at -0.797347 -2.923638 2.352483 ESP Fit Center 6555 is at -4.214218 -2.309493 2.091560 ESP Fit Center 6556 is at -4.214218 -2.721315 2.091560 ESP Fit Center 6557 is at -4.125688 -3.123508 2.091560 ESP Fit Center 6558 is at -3.952769 -3.497268 2.091560 ESP Fit Center 6559 is at -3.703545 -3.825116 2.091560 ESP Fit Center 6560 is at -3.389670 -4.091724 2.091560 ESP Fit Center 6561 is at -3.025820 -4.284625 2.091560 ESP Fit Center 6562 is at -2.629009 -4.394799 2.091560 ESP Fit Center 6563 is at -2.217792 -4.417095 2.091560 ESP Fit Center 6564 is at -1.811395 -4.350469 2.091560 ESP Fit Center 6565 is at -1.428822 -4.198038 2.091560 ESP Fit Center 6566 is at -1.087962 -3.966929 2.091560 ESP Fit Center 6567 is at -0.804752 -3.667948 2.091560 ESP Fit Center 6568 is at -0.592436 -3.315076 2.091560 ESP Fit Center 6569 is at -0.460940 -2.924812 2.091560 ESP Fit Center 6570 is at -4.500114 -2.723494 1.784786 ESP Fit Center 6571 is at -4.421351 -3.132153 1.784786 ESP Fit Center 6572 is at -4.266673 -3.518521 1.784786 ESP Fit Center 6573 is at -4.041669 -3.868633 1.784786 ESP Fit Center 6574 is at -3.754472 -4.169837 1.784786 ESP Fit Center 6575 is at -3.415462 -4.411245 1.784786 ESP Fit Center 6576 is at -3.036892 -4.584132 1.784786 ESP Fit Center 6577 is at -2.632444 -4.682250 1.784786 ESP Fit Center 6578 is at -2.216735 -4.702053 1.784786 ESP Fit Center 6579 is at -1.804792 -4.642824 1.784786 ESP Fit Center 6580 is at -1.411502 -4.506705 1.784786 ESP Fit Center 6581 is at -1.051079 -4.298615 1.784786 ESP Fit Center 6582 is at -0.736552 -4.026075 1.784786 ESP Fit Center 6583 is at -0.479286 -3.698936 1.784786 ESP Fit Center 6584 is at -0.288582 -3.329021 1.784786 ESP Fit Center 6585 is at -4.737034 -2.721047 1.439015 ESP Fit Center 6586 is at -4.667526 -3.126418 1.439015 ESP Fit Center 6587 is at -4.530510 -3.514211 1.439015 ESP Fit Center 6588 is at -4.329927 -3.873271 1.439015 ESP Fit Center 6589 is at -4.071549 -4.193267 1.439015 ESP Fit Center 6590 is at -3.762807 -4.464993 1.439015 ESP Fit Center 6591 is at -3.412584 -4.680634 1.439015 ESP Fit Center 6592 is at -3.030956 -4.833985 1.439015 ESP Fit Center 6593 is at -2.628900 -4.920635 1.439015 ESP Fit Center 6594 is at -2.217984 -4.938090 1.439015 ESP Fit Center 6595 is at -1.810028 -4.885849 1.439015 ESP Fit Center 6596 is at -1.416769 -4.765415 1.439015 ESP Fit Center 6597 is at -1.049521 -4.580252 1.439015 ESP Fit Center 6598 is at -0.718847 -4.335688 1.439015 ESP Fit Center 6599 is at -0.434262 -4.038756 1.439015 ESP Fit Center 6600 is at -0.203952 -3.698001 1.439015 ESP Fit Center 6601 is at -4.895255 -2.923142 1.061970 ESP Fit Center 6602 is at -4.799776 -3.320840 1.061970 ESP Fit Center 6603 is at -4.643259 -3.698706 1.061970 ESP Fit Center 6604 is at -4.429558 -4.047435 1.061970 ESP Fit Center 6605 is at -4.163934 -4.358440 1.061970 ESP Fit Center 6606 is at -3.852929 -4.624063 1.061970 ESP Fit Center 6607 is at -3.504200 -4.837765 1.061970 ESP Fit Center 6608 is at -3.126335 -4.994282 1.061970 ESP Fit Center 6609 is at -2.728636 -5.089761 1.061970 ESP Fit Center 6610 is at -2.320898 -5.121850 1.061970 ESP Fit Center 6611 is at -1.913160 -5.089761 1.061970 ESP Fit Center 6612 is at -1.515462 -4.994282 1.061970 ESP Fit Center 6613 is at -1.137596 -4.837765 1.061970 ESP Fit Center 6614 is at -0.788867 -4.624063 1.061970 ESP Fit Center 6615 is at -0.477862 -4.358440 1.061970 ESP Fit Center 6616 is at -0.212239 -4.047435 1.061970 ESP Fit Center 6617 is at -4.978890 -3.137398 0.662073 ESP Fit Center 6618 is at -4.852793 -3.535849 0.662073 ESP Fit Center 6619 is at -4.667350 -3.910382 0.662073 ESP Fit Center 6620 is at -4.426908 -4.252217 0.662073 ESP Fit Center 6621 is at -4.137103 -4.553344 0.662073 ESP Fit Center 6622 is at -3.804728 -4.806702 0.662073 ESP Fit Center 6623 is at -3.437573 -5.006355 0.662073 ESP Fit Center 6624 is at -3.044244 -5.147621 0.662073 ESP Fit Center 6625 is at -2.633961 -5.227191 0.662073 ESP Fit Center 6626 is at -2.216340 -5.243199 0.662073 ESP Fit Center 6627 is at -1.801169 -5.195270 0.662073 ESP Fit Center 6628 is at -1.398180 -5.084526 0.662073 ESP Fit Center 6629 is at -1.016820 -4.913565 0.662073 ESP Fit Center 6630 is at -0.666025 -4.686393 0.662073 ESP Fit Center 6631 is at -0.354020 -4.408335 0.662073 ESP Fit Center 6632 is at -0.088116 -4.085908 0.662073 ESP Fit Center 6633 is at -5.081883 -2.931555 0.248259 ESP Fit Center 6634 is at -4.989021 -3.338411 0.248259 ESP Fit Center 6635 is at -4.836557 -3.726881 0.248259 ESP Fit Center 6636 is at -4.627898 -4.088290 0.248259 ESP Fit Center 6637 is at -4.367704 -4.414562 0.248259 ESP Fit Center 6638 is at -4.061788 -4.698411 0.248259 ESP Fit Center 6639 is at -3.716984 -4.933495 0.248259 ESP Fit Center 6640 is at -3.340993 -5.114562 0.248259 ESP Fit Center 6641 is at -2.942215 -5.237569 0.248259 ESP Fit Center 6642 is at -2.529557 -5.299767 0.248259 ESP Fit Center 6643 is at -2.112239 -5.299767 0.248259 ESP Fit Center 6644 is at -1.699582 -5.237569 0.248259 ESP Fit Center 6645 is at -1.300804 -5.114562 0.248259 ESP Fit Center 6646 is at -0.924813 -4.933495 0.248259 ESP Fit Center 6647 is at -0.580008 -4.698411 0.248259 ESP Fit Center 6648 is at -0.274092 -4.414562 0.248259 ESP Fit Center 6649 is at -5.081883 -2.931555 -0.170230 ESP Fit Center 6650 is at -4.989021 -3.338411 -0.170230 ESP Fit Center 6651 is at -4.836557 -3.726881 -0.170230 ESP Fit Center 6652 is at -4.627898 -4.088290 -0.170230 ESP Fit Center 6653 is at -4.367704 -4.414562 -0.170230 ESP Fit Center 6654 is at -4.061788 -4.698411 -0.170230 ESP Fit Center 6655 is at -3.716984 -4.933495 -0.170230 ESP Fit Center 6656 is at -3.340993 -5.114562 -0.170230 ESP Fit Center 6657 is at -2.942215 -5.237569 -0.170230 ESP Fit Center 6658 is at -2.529557 -5.299767 -0.170230 ESP Fit Center 6659 is at -2.112239 -5.299767 -0.170230 ESP Fit Center 6660 is at -1.699582 -5.237569 -0.170230 ESP Fit Center 6661 is at -1.300804 -5.114562 -0.170230 ESP Fit Center 6662 is at -0.924813 -4.933495 -0.170230 ESP Fit Center 6663 is at -0.580008 -4.698411 -0.170230 ESP Fit Center 6664 is at -0.274092 -4.414562 -0.170230 ESP Fit Center 6665 is at -4.978890 -3.137398 -0.584044 ESP Fit Center 6666 is at -4.852793 -3.535849 -0.584044 ESP Fit Center 6667 is at -4.667350 -3.910382 -0.584044 ESP Fit Center 6668 is at -4.426908 -4.252217 -0.584044 ESP Fit Center 6669 is at -4.137103 -4.553344 -0.584044 ESP Fit Center 6670 is at -3.804728 -4.806702 -0.584044 ESP Fit Center 6671 is at -3.437573 -5.006355 -0.584044 ESP Fit Center 6672 is at -3.044244 -5.147621 -0.584044 ESP Fit Center 6673 is at -2.633961 -5.227191 -0.584044 ESP Fit Center 6674 is at -2.216340 -5.243199 -0.584044 ESP Fit Center 6675 is at -1.801169 -5.195270 -0.584044 ESP Fit Center 6676 is at -1.398180 -5.084526 -0.584044 ESP Fit Center 6677 is at -1.016820 -4.913565 -0.584044 ESP Fit Center 6678 is at -0.666025 -4.686393 -0.584044 ESP Fit Center 6679 is at -0.354020 -4.408335 -0.584044 ESP Fit Center 6680 is at -4.895255 -2.923142 -0.983940 ESP Fit Center 6681 is at -4.799776 -3.320840 -0.983940 ESP Fit Center 6682 is at -4.643259 -3.698706 -0.983940 ESP Fit Center 6683 is at -4.429558 -4.047435 -0.983940 ESP Fit Center 6684 is at -4.163934 -4.358440 -0.983940 ESP Fit Center 6685 is at -3.852929 -4.624063 -0.983940 ESP Fit Center 6686 is at -3.504200 -4.837765 -0.983940 ESP Fit Center 6687 is at -3.126335 -4.994282 -0.983940 ESP Fit Center 6688 is at -2.728636 -5.089761 -0.983940 ESP Fit Center 6689 is at -2.320898 -5.121850 -0.983940 ESP Fit Center 6690 is at -1.913160 -5.089761 -0.983940 ESP Fit Center 6691 is at -1.515462 -4.994282 -0.983940 ESP Fit Center 6692 is at -1.137596 -4.837765 -0.983940 ESP Fit Center 6693 is at -0.788867 -4.624063 -0.983940 ESP Fit Center 6694 is at -0.477862 -4.358440 -0.983940 ESP Fit Center 6695 is at -0.212239 -4.047435 -0.983940 ESP Fit Center 6696 is at -4.737034 -2.721047 -1.360985 ESP Fit Center 6697 is at -4.667526 -3.126418 -1.360985 ESP Fit Center 6698 is at -4.530510 -3.514211 -1.360985 ESP Fit Center 6699 is at -4.329927 -3.873271 -1.360985 ESP Fit Center 6700 is at -4.071549 -4.193267 -1.360985 ESP Fit Center 6701 is at -3.762807 -4.464993 -1.360985 ESP Fit Center 6702 is at -3.412584 -4.680634 -1.360985 ESP Fit Center 6703 is at -3.030956 -4.833985 -1.360985 ESP Fit Center 6704 is at -2.628900 -4.920635 -1.360985 ESP Fit Center 6705 is at -2.217984 -4.938090 -1.360985 ESP Fit Center 6706 is at -1.810028 -4.885849 -1.360985 ESP Fit Center 6707 is at -1.416769 -4.765415 -1.360985 ESP Fit Center 6708 is at -1.049521 -4.580252 -1.360985 ESP Fit Center 6709 is at -0.718847 -4.335688 -1.360985 ESP Fit Center 6710 is at -0.434262 -4.038756 -1.360985 ESP Fit Center 6711 is at -4.500114 -2.723494 -1.706757 ESP Fit Center 6712 is at -4.421351 -3.132153 -1.706757 ESP Fit Center 6713 is at -4.266673 -3.518521 -1.706757 ESP Fit Center 6714 is at -4.041669 -3.868633 -1.706757 ESP Fit Center 6715 is at -3.754472 -4.169837 -1.706757 ESP Fit Center 6716 is at -3.415462 -4.411245 -1.706757 ESP Fit Center 6717 is at -3.036892 -4.584132 -1.706757 ESP Fit Center 6718 is at -2.632444 -4.682250 -1.706757 ESP Fit Center 6719 is at -2.216735 -4.702053 -1.706757 ESP Fit Center 6720 is at -1.804792 -4.642824 -1.706757 ESP Fit Center 6721 is at -1.411502 -4.506705 -1.706757 ESP Fit Center 6722 is at -1.051079 -4.298615 -1.706757 ESP Fit Center 6723 is at -0.736552 -4.026075 -1.706757 ESP Fit Center 6724 is at -0.479286 -3.698936 -1.706757 ESP Fit Center 6725 is at -4.214218 -2.309493 -2.013531 ESP Fit Center 6726 is at -4.214218 -2.721315 -2.013531 ESP Fit Center 6727 is at -4.125688 -3.123508 -2.013531 ESP Fit Center 6728 is at -3.952769 -3.497268 -2.013531 ESP Fit Center 6729 is at -3.703545 -3.825116 -2.013531 ESP Fit Center 6730 is at -3.389670 -4.091724 -2.013531 ESP Fit Center 6731 is at -3.025820 -4.284625 -2.013531 ESP Fit Center 6732 is at -2.629009 -4.394799 -2.013531 ESP Fit Center 6733 is at -2.217792 -4.417095 -2.013531 ESP Fit Center 6734 is at -1.811395 -4.350469 -2.013531 ESP Fit Center 6735 is at -1.428822 -4.198038 -2.013531 ESP Fit Center 6736 is at -1.087962 -3.966929 -2.013531 ESP Fit Center 6737 is at -0.804752 -3.667948 -2.013531 ESP Fit Center 6738 is at -0.592436 -3.315076 -2.013531 ESP Fit Center 6739 is at -3.898194 -2.515404 -2.274454 ESP Fit Center 6740 is at -3.844449 -2.923638 -2.274454 ESP Fit Center 6741 is at -3.686877 -3.304052 -2.274454 ESP Fit Center 6742 is at -3.436215 -3.630721 -2.274454 ESP Fit Center 6743 is at -3.109546 -3.881382 -2.274454 ESP Fit Center 6744 is at -2.729133 -4.038955 -2.274454 ESP Fit Center 6745 is at -2.320898 -4.092700 -2.274454 ESP Fit Center 6746 is at -1.912664 -4.038955 -2.274454 ESP Fit Center 6747 is at -1.532250 -3.881382 -2.274454 ESP Fit Center 6748 is at -1.205581 -3.630721 -2.274454 ESP Fit Center 6749 is at -0.954920 -3.304052 -2.274454 ESP Fit Center 6750 is at -0.797347 -2.923638 -2.274454 ESP Fit Center 6751 is at -1.106024 -2.515404 -2.483698 ESP Fit Center 6752 is at -3.535773 -2.515404 -2.483698 ESP Fit Center 6753 is at -3.462507 -2.930915 -2.483698 ESP Fit Center 6754 is at -3.251546 -3.296310 -2.483698 ESP Fit Center 6755 is at -2.928336 -3.567516 -2.483698 ESP Fit Center 6756 is at -2.531859 -3.711822 -2.483698 ESP Fit Center 6757 is at -2.109938 -3.711822 -2.483698 ESP Fit Center 6758 is at -1.713461 -3.567516 -2.483698 ESP Fit Center 6759 is at -1.390250 -3.296310 -2.483698 ESP Fit Center 6760 is at -1.179290 -2.930915 -2.483698 ESP Fit Center 6761 is at -1.495584 -2.515404 -2.636589 ESP Fit Center 6762 is at -3.146213 -2.515404 -2.636589 ESP Fit Center 6763 is at -3.035642 -2.928061 -2.636589 ESP Fit Center 6764 is at -2.733556 -3.230147 -2.636589 ESP Fit Center 6765 is at -2.320898 -3.340718 -2.636589 ESP Fit Center 6766 is at -1.908241 -3.230147 -2.636589 ESP Fit Center 6767 is at -1.606155 -2.928061 -2.636589 ESP Fit Center 6768 is at -1.903580 -2.515404 -2.729712 ESP Fit Center 6769 is at -2.738217 -2.515404 -2.729712 ESP Fit Center 6770 is at -2.529557 -2.876812 -2.729712 ESP Fit Center 6771 is at -2.112239 -2.876812 -2.729712 ESP Fit Center 6772 is at -2.320898 -2.515404 -2.760985 ESP Fit Center 6773 is at -3.772997 0.234732 3.348421 ESP Fit Center 6774 is at -3.356241 0.234732 3.311960 ESP Fit Center 6775 is at -3.564619 0.595653 3.311960 ESP Fit Center 6776 is at -3.981375 0.595653 3.311960 ESP Fit Center 6777 is at -4.189752 0.234732 3.311960 ESP Fit Center 6778 is at -3.981375 -0.126189 3.311960 ESP Fit Center 6779 is at -3.564619 -0.126189 3.311960 ESP Fit Center 6780 is at -2.952148 0.234732 3.203683 ESP Fit Center 6781 is at -3.062121 0.645156 3.203683 ESP Fit Center 6782 is at -3.362573 0.945608 3.203683 ESP Fit Center 6783 is at -3.772997 1.055581 3.203683 ESP Fit Center 6784 is at -4.183421 0.945608 3.203683 ESP Fit Center 6785 is at -4.483872 0.645156 3.203683 ESP Fit Center 6786 is at -4.593845 0.234732 3.203683 ESP Fit Center 6787 is at -4.483872 -0.175692 3.203683 ESP Fit Center 6788 is at -4.183421 -0.476143 3.203683 ESP Fit Center 6789 is at -3.772997 -0.586116 3.203683 ESP Fit Center 6790 is at -3.362573 -0.476143 3.203683 ESP Fit Center 6791 is at -3.062121 -0.175692 3.203683 ESP Fit Center 6792 is at -2.572997 0.234732 3.026882 ESP Fit Center 6793 is at -2.645366 0.645156 3.026882 ESP Fit Center 6794 is at -2.853743 1.006077 3.026882 ESP Fit Center 6795 is at -3.172997 1.273963 3.026882 ESP Fit Center 6796 is at -3.564619 1.416502 3.026882 ESP Fit Center 6797 is at -3.981375 1.416502 3.026882 ESP Fit Center 6798 is at -4.372997 1.273963 3.026882 ESP Fit Center 6799 is at -4.692250 1.006077 3.026882 ESP Fit Center 6800 is at -4.900628 0.645156 3.026882 ESP Fit Center 6801 is at -4.972997 0.234732 3.026882 ESP Fit Center 6802 is at -4.900628 -0.175692 3.026882 ESP Fit Center 6803 is at -4.692250 -0.536613 3.026882 ESP Fit Center 6804 is at -4.372997 -0.804498 3.026882 ESP Fit Center 6805 is at -3.981375 -0.947037 3.026882 ESP Fit Center 6806 is at -3.564619 -0.947037 3.026882 ESP Fit Center 6807 is at -3.172997 -0.804498 3.026882 ESP Fit Center 6808 is at -2.853743 -0.536613 3.026882 ESP Fit Center 6809 is at -2.645366 -0.175692 3.026882 ESP Fit Center 6810 is at -2.230306 0.234732 2.786928 ESP Fit Center 6811 is at -2.287514 0.650945 2.786928 ESP Fit Center 6812 is at -2.454892 1.036289 2.786928 ESP Fit Center 6813 is at -2.720029 1.362186 2.786928 ESP Fit Center 6814 is at -3.063259 1.604464 2.786928 ESP Fit Center 6815 is at -3.459127 1.745156 2.786928 ESP Fit Center 6816 is at -3.878274 1.773826 2.786928 ESP Fit Center 6817 is at -4.289612 1.688349 2.786928 ESP Fit Center 6818 is at -4.662636 1.495064 2.786928 ESP Fit Center 6819 is at -4.969679 1.208306 2.786928 ESP Fit Center 6820 is at -5.187970 0.849342 2.786928 ESP Fit Center 6821 is at -5.301318 0.444795 2.786928 ESP Fit Center 6822 is at -5.301318 0.024669 2.786928 ESP Fit Center 6823 is at -5.187970 -0.379877 2.786928 ESP Fit Center 6824 is at -4.969679 -0.738841 2.786928 ESP Fit Center 6825 is at -4.662636 -1.025599 2.786928 ESP Fit Center 6826 is at -4.289612 -1.218884 2.786928 ESP Fit Center 6827 is at -3.878274 -1.304362 2.786928 ESP Fit Center 6828 is at -3.879896 2.070128 2.491111 ESP Fit Center 6829 is at -4.300286 1.996002 2.491111 ESP Fit Center 6830 is at -4.692250 1.826926 2.491111 ESP Fit Center 6831 is at -5.034657 1.572014 2.491111 ESP Fit Center 6832 is at -5.309047 1.245008 2.491111 ESP Fit Center 6833 is at -5.500628 0.863539 2.491111 ESP Fit Center 6834 is at -5.599072 0.448170 2.491111 ESP Fit Center 6835 is at -5.599072 0.021295 2.491111 ESP Fit Center 6836 is at -5.500628 -0.394074 2.491111 ESP Fit Center 6837 is at -5.309047 -0.775544 2.491111 ESP Fit Center 6838 is at -5.034657 -1.102549 2.491111 ESP Fit Center 6839 is at -4.293968 2.246843 2.148421 ESP Fit Center 6840 is at -4.688339 2.100784 2.148421 ESP Fit Center 6841 is at -5.045235 1.878329 2.148421 ESP Fit Center 6842 is at -5.350046 1.588585 2.148421 ESP Fit Center 6843 is at -5.590292 1.243413 2.148421 ESP Fit Center 6844 is at -5.756138 0.856947 2.148421 ESP Fit Center 6845 is at -5.840794 0.445007 2.148421 ESP Fit Center 6846 is at -5.840794 0.024458 2.148421 ESP Fit Center 6847 is at -5.756138 -0.387482 2.148421 ESP Fit Center 6848 is at -5.590292 -0.773949 2.148421 ESP Fit Center 6849 is at -4.900628 2.187847 1.769269 ESP Fit Center 6850 is at -5.249879 1.939146 1.769269 ESP Fit Center 6851 is at -5.545753 1.628843 1.769269 ESP Fit Center 6852 is at -5.777554 1.268153 1.769269 ESP Fit Center 6853 is at -5.936905 0.870113 1.769269 ESP Fit Center 6854 is at -6.018047 0.449109 1.769269 ESP Fit Center 6855 is at -6.018047 0.020356 1.769269 ESP Fit Center 6856 is at -5.075063 2.207278 1.365177 ESP Fit Center 6857 is at -5.406350 1.943086 1.365177 ESP Fit Center 6858 is at -5.685140 1.623985 1.365177 ESP Fit Center 6859 is at -5.902471 1.260233 1.365177 ESP Fit Center 6860 is at -6.051360 0.863521 1.365177 ESP Fit Center 6861 is at -6.127020 0.446598 1.365177 ESP Fit Center 6862 is at -5.315687 2.073239 0.948421 ESP Fit Center 6863 is at -5.611503 1.777423 0.948421 ESP Fit Center 6864 is at -5.851458 1.434732 0.948421 ESP Fit Center 6865 is at -6.028259 1.055581 0.948421 ESP Fit Center 6866 is at -5.406350 1.943086 0.531665 ESP Fit Center 6867 is at -5.685140 1.623985 0.531665 Entering OneElI... OneElI was handed 2147352311 working-precision words. Calculate electrostatic properties NBasis = 226 MinDer = 0 MaxDer = 0 NGrid = 6867 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 22.46 SMaxX= 15.29 Shift= 7.129931 4.753425 1.688429 Box 1 Number 0 centers from 1 to 72: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.25D+01 RnKept= 1.19D+01 NSMCal= 2628 NSMKep= 1470 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 10094490 NTPThr= 100 NPartT= 12 Incr= 512 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs PRISM was handed 178792932 working-precision words and 1470 shell-pairs IPart= 7 NShTot= 796572 NBatch= 863 AvBLen= 923.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 824040 NBatch= 892 AvBLen= 923.8 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 858375 NBatch= 927 AvBLen= 926.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 975114 NBatch= 1084 AvBLen= 899.6 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 741636 NBatch= 785 AvBLen= 944.8 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 748503 NBatch= 794 AvBLen= 942.7 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 762237 NBatch= 822 AvBLen= 927.3 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 782838 NBatch= 844 AvBLen= 927.5 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 865242 NBatch= 932 AvBLen= 928.4 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 878976 NBatch= 946 AvBLen= 929.2 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 899577 NBatch= 967 AvBLen= 930.3 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 961380 NBatch= 1073 AvBLen= 896.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 6845 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00182 RRMS= 0.01487: ESP charges: 1 1 C 0.479886 2 C -0.413481 3 O -0.689761 4 O -0.667857 5 C 0.952522 6 N -0.841602 7 C 0.863147 8 O -0.700623 9 N -0.190059 10 C -0.190000 11 C -0.183486 12 H 0.010578 13 H 0.088946 14 H 0.105099 15 H 0.395875 16 H 0.246724 17 N -0.017340 18 H 0.116993 19 H 0.421115 20 O -0.483891 21 O -0.653154 22 H 0.350370 Sum of ESP charges = -1.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.490464 2 C -0.102444 3 O -0.268646 4 O -0.667857 5 C 0.952522 6 N -0.445727 7 C 0.863147 8 O -0.700623 9 N -0.190059 10 C 0.056724 11 C -0.183486 17 N -0.017340 20 O -0.133521 21 O -0.653154 Charge= -1.00000 Dipole= 12.6786 4.6188 1.6744 Tot= 13.5971 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.704040 2 Atom -14.817832 3 Atom -22.378529 4 Atom -22.473522 5 Atom -14.716399 6 Atom -18.390937 7 Atom -14.665792 8 Atom -22.455026 9 Atom -18.387281 10 Atom -14.825608 11 Atom -14.821801 12 Atom -1.203966 13 Atom -1.190336 14 Atom -1.197033 15 Atom -1.091264 16 Atom -1.222866 17 Atom -18.453700 18 Atom -1.197805 19 Atom -1.045259 20 Atom -22.462104 21 Atom -22.609832 22 Atom -1.167950 23 Fit -0.030783 24 Fit -0.104085 25 Fit -0.115119 26 Fit -0.106929 27 Fit -0.068133 28 Fit -0.073000 29 Fit -0.069986 30 Fit -0.066306 31 Fit -0.068408 32 Fit -0.066822 33 Fit -0.064240 34 Fit -0.065457 35 Fit -0.065235 36 Fit -0.064293 37 Fit -0.066013 38 Fit -0.088875 39 Fit -0.062610 40 Fit -0.094987 41 Fit -0.061230 42 Fit -0.100571 43 Fit -0.099596 44 Fit -0.080346 45 Fit -0.101965 46 Fit -0.056901 47 Fit -0.092450 48 Fit -0.104029 49 Fit -0.099368 50 Fit -0.046136 51 Fit -0.045913 52 Fit -0.088881 53 Fit -0.106975 54 Fit -0.115717 55 Fit -0.125465 56 Fit -0.119797 57 Fit -0.108316 58 Fit -0.093218 59 Fit -0.076152 60 Fit -0.131361 61 Fit -0.124889 62 Fit -0.112623 63 Fit -0.096680 64 Fit -0.135553 65 Fit -0.127721 66 Fit -0.114922 67 Fit -0.098745 68 Fit -0.135736 69 Fit -0.124369 70 Fit -0.109323 71 Fit -0.091124 72 Fit -0.144516 73 Fit -0.136221 74 Fit -0.123547 75 Fit -0.107717 76 Fit -0.088835 77 Fit -0.147778 78 Fit -0.139102 79 Fit -0.126706 80 Fit -0.111375 81 Fit -0.093269 82 Fit -0.154095 83 Fit -0.152794 84 Fit -0.147269 85 Fit -0.137650 86 Fit -0.124499 87 Fit -0.108422 88 Fit -0.089573 89 Fit -0.062648 90 Fit -0.124973 91 Fit -0.135807 92 Fit -0.144478 93 Fit -0.149352 94 Fit -0.149274 95 Fit -0.144359 96 Fit -0.135095 97 Fit -0.122198 98 Fit -0.106421 99 Fit -0.088286 100 Fit -0.071166 101 Fit -0.081009 102 Fit -0.090508 103 Fit -0.100806 104 Fit -0.112275 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2024, MaxMem= 2147483648 cpu: 1.3 elap: 0.2 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.002265068 -0.009480745 -0.009884827 2 6 -0.004640150 0.009476555 0.012239111 3 8 0.057162670 -0.037872021 0.008766132 4 8 0.060342581 -0.018231963 0.016581373 5 6 -0.044407246 0.037172341 -0.018206439 6 7 0.014751374 0.017718516 -0.004531201 7 6 0.008234298 -0.005791236 -0.000969693 8 8 -0.011273578 -0.001578966 0.001308777 9 7 0.045362481 0.005514072 0.001117971 10 6 -0.040123605 -0.021163814 0.006798816 11 6 -0.117543784 -0.036982660 -0.001738416 12 1 -0.008690390 0.007528063 0.005318169 13 1 -0.001834172 -0.001116886 -0.003659699 14 1 0.002970445 -0.003232737 -0.003448368 15 1 -0.002504673 -0.029018195 0.009718658 16 1 0.004336982 0.016157415 -0.006296916 17 7 0.044645499 0.006735062 0.006391436 18 1 0.000359675 0.004891247 -0.000711336 19 1 -0.065042690 0.052194160 -0.017833054 20 8 0.033360391 0.020383443 0.056501684 21 8 0.012300540 0.059421189 -0.015505046 22 1 0.009968284 -0.072722840 -0.041957131 ------------------------------------------------------------------- Cartesian Forces: Max 0.117543784 RMS 0.030144434 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.098701841 RMS 0.021944218 Search for a local minimum. Step number 1 out of a maximum of 115 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 0.00232 0.00236 0.00442 0.00495 Eigenvalues --- 0.01456 0.01457 0.01623 0.01692 0.01841 Eigenvalues --- 0.01930 0.02007 0.02042 0.02350 0.02551 Eigenvalues --- 0.04627 0.05333 0.05487 0.05791 0.08400 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.17855 0.19628 0.22999 Eigenvalues --- 0.23924 0.24998 0.24999 0.24999 0.25000 Eigenvalues --- 0.25000 0.25000 0.25000 0.29935 0.30369 Eigenvalues --- 0.33400 0.34567 0.34576 0.34827 0.34835 Eigenvalues --- 0.34848 0.34857 0.34875 0.37748 0.39864 Eigenvalues --- 0.39896 0.42761 0.42796 0.44863 0.47500 Eigenvalues --- 0.49873 0.50517 0.56358 0.88874 0.96818 RFO step: Lambda=-1.10908612D-01 EMin= 2.30000000D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.601 Iteration 1 RMS(Cart)= 0.08187116 RMS(Int)= 0.00195242 Iteration 2 RMS(Cart)= 0.00342850 RMS(Int)= 0.00006780 Iteration 3 RMS(Cart)= 0.00000577 RMS(Int)= 0.00006776 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00006776 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88094 0.00464 0.00000 0.00680 0.00680 2.88773 R2 2.67922 -0.01086 0.00000 -0.01210 -0.01210 2.66712 R3 2.81655 -0.02862 0.00000 -0.03863 -0.03863 2.77792 R4 2.05878 -0.00829 0.00000 -0.01084 -0.01084 2.04795 R5 2.05923 -0.00223 0.00000 -0.00292 -0.00292 2.05631 R6 2.05957 -0.00495 0.00000 -0.00648 -0.00648 2.05309 R7 2.05907 -0.00402 0.00000 -0.00526 -0.00526 2.05381 R8 1.98439 -0.08513 0.00000 -0.10035 -0.10035 1.88404 R9 2.33457 -0.06069 0.00000 -0.03646 -0.03646 2.29810 R10 2.60496 0.00671 0.00000 0.00627 0.00626 2.61122 R11 2.73213 0.02558 0.00000 0.03190 0.03194 2.76407 R12 2.61800 -0.01575 0.00000 -0.01717 -0.01722 2.60078 R13 1.94665 -0.03062 0.00000 -0.03415 -0.03415 1.91250 R14 2.29941 -0.01103 0.00000 -0.00614 -0.00614 2.29327 R15 2.58430 -0.02344 0.00000 -0.02333 -0.02337 2.56093 R16 2.59444 0.03098 0.00000 0.03055 0.03056 2.62499 R17 2.52704 -0.00309 0.00000 -0.00165 -0.00161 2.52543 R18 2.05943 -0.01775 0.00000 -0.02321 -0.02321 2.03623 R19 2.87233 -0.09870 0.00000 -0.14299 -0.14299 2.72934 R20 2.79684 -0.06765 0.00000 -0.08899 -0.08899 2.70785 R21 2.79668 -0.06248 0.00000 -0.08217 -0.08217 2.71451 R22 1.98395 -0.08390 0.00000 -0.09884 -0.09884 1.88511 A1 1.87530 0.01508 0.00000 0.03295 0.03285 1.90814 A2 1.99050 -0.00612 0.00000 -0.01330 -0.01322 1.97728 A3 1.94471 -0.00149 0.00000 -0.00204 -0.00231 1.94240 A4 1.88895 -0.00891 0.00000 -0.01889 -0.01874 1.87022 A5 1.87496 0.00022 0.00000 0.00621 0.00600 1.88095 A6 1.88544 0.00129 0.00000 -0.00425 -0.00432 1.88112 A7 1.96287 -0.00527 0.00000 -0.01217 -0.01218 1.95069 A8 1.96292 -0.00122 0.00000 -0.00314 -0.00317 1.95975 A9 1.88714 0.00334 0.00000 0.00828 0.00830 1.89544 A10 1.87478 0.00225 0.00000 0.00345 0.00340 1.87818 A11 1.88659 0.00151 0.00000 0.00414 0.00417 1.89075 A12 1.88688 -0.00038 0.00000 0.00003 0.00003 1.88691 A13 1.91134 -0.00991 0.00000 -0.02197 -0.02197 1.88936 A14 2.10628 -0.02735 0.00000 -0.04573 -0.04575 2.06052 A15 2.19306 0.02757 0.00000 0.04567 0.04564 2.23871 A16 1.98381 -0.00024 0.00000 -0.00001 0.00002 1.98383 A17 2.20968 0.01404 0.00000 0.02222 0.02217 2.23185 A18 2.03658 -0.00481 0.00000 -0.00622 -0.00619 2.03038 A19 2.03693 -0.00922 0.00000 -0.01600 -0.01598 2.02095 A20 2.12273 -0.00082 0.00000 0.00069 0.00073 2.12346 A21 2.01158 -0.00415 0.00000 -0.01099 -0.01109 2.00049 A22 2.14885 0.00498 0.00000 0.01035 0.01038 2.15924 A23 2.04638 -0.00922 0.00000 -0.01459 -0.01457 2.03181 A24 2.10265 0.00688 0.00000 0.01221 0.01222 2.11487 A25 2.13412 0.00233 0.00000 0.00236 0.00233 2.13645 A26 2.11272 0.00872 0.00000 0.01794 0.01800 2.13072 A27 2.08507 -0.00634 0.00000 -0.01336 -0.01339 2.07169 A28 2.08539 -0.00238 0.00000 -0.00458 -0.00461 2.08078 A29 2.11442 -0.02069 0.00000 -0.03150 -0.03141 2.08301 A30 2.01552 0.05964 0.00000 0.09780 0.09775 2.11327 A31 2.15322 -0.03894 0.00000 -0.06627 -0.06632 2.08690 A32 2.09414 0.02020 0.00000 0.03362 0.03361 2.12775 A33 2.09473 -0.01207 0.00000 -0.02010 -0.02010 2.07463 A34 2.09431 -0.00813 0.00000 -0.01353 -0.01354 2.08077 A35 1.91208 -0.02043 0.00000 -0.04529 -0.04529 1.86679 D1 1.62814 0.00406 0.00000 0.00886 0.00891 1.63705 D2 -2.53565 0.00221 0.00000 0.00209 0.00218 -2.53347 D3 -0.45356 0.00319 0.00000 0.00567 0.00575 -0.44781 D4 -2.56146 -0.00045 0.00000 -0.00022 -0.00030 -2.56176 D5 -0.44206 -0.00230 0.00000 -0.00698 -0.00703 -0.44909 D6 1.64003 -0.00132 0.00000 -0.00341 -0.00346 1.63657 D7 -0.42127 -0.00450 0.00000 -0.01746 -0.01749 -0.43876 D8 1.69813 -0.00635 0.00000 -0.02422 -0.02422 1.67390 D9 -2.50297 -0.00537 0.00000 -0.02065 -0.02066 -2.52362 D10 -1.04731 -0.00345 0.00000 -0.00905 -0.00925 -1.05656 D11 3.07886 0.00016 0.00000 -0.00161 -0.00155 3.07731 D12 1.04702 0.00312 0.00000 0.00983 0.00997 1.05699 D13 1.50432 -0.00426 0.00000 -0.00914 -0.00917 1.49516 D14 -1.62901 -0.00370 0.00000 -0.00652 -0.00656 -1.63557 D15 -2.69297 0.00471 0.00000 0.01089 0.01093 -2.68204 D16 0.45688 0.00526 0.00000 0.01352 0.01354 0.47042 D17 -0.66793 0.00099 0.00000 0.00609 0.00610 -0.66183 D18 2.48192 0.00154 0.00000 0.00871 0.00871 2.49063 D19 3.13740 -0.00134 0.00000 -0.00719 -0.00706 3.13034 D20 -0.00443 -0.00094 0.00000 -0.00506 -0.00492 -0.00935 D21 0.00499 -0.00003 0.00000 -0.00034 -0.00042 0.00457 D22 -3.13684 0.00037 0.00000 0.00180 0.00172 -3.13511 D23 -3.14011 0.00258 0.00000 0.01162 0.01182 -3.12829 D24 0.00814 0.00189 0.00000 0.00801 0.00805 0.01619 D25 -0.00824 0.00084 0.00000 0.00378 0.00375 -0.00448 D26 3.14002 0.00015 0.00000 0.00018 -0.00002 3.13999 D27 3.13693 0.00106 0.00000 0.00491 0.00491 -3.14135 D28 0.00277 -0.00042 0.00000 -0.00202 -0.00197 0.00080 D29 -0.00443 0.00066 0.00000 0.00277 0.00278 -0.00166 D30 -3.13858 -0.00082 0.00000 -0.00415 -0.00410 3.14050 D31 -3.14117 0.00082 0.00000 0.00403 0.00401 -3.13716 D32 -0.00799 0.00028 0.00000 0.00140 0.00142 -0.00657 D33 0.00799 -0.00065 0.00000 -0.00297 -0.00298 0.00501 D34 3.14117 -0.00119 0.00000 -0.00559 -0.00557 3.13559 D35 3.13786 -0.00025 0.00000 -0.00105 -0.00108 3.13678 D36 -0.00347 -0.00091 0.00000 -0.00430 -0.00432 -0.00779 D37 0.00495 0.00038 0.00000 0.00178 0.00177 0.00671 D38 -3.13638 -0.00028 0.00000 -0.00146 -0.00147 -3.13786 D39 0.00377 -0.00096 0.00000 -0.00448 -0.00441 -0.00064 D40 3.13816 0.00018 0.00000 0.00006 -0.00006 3.13811 D41 -3.13809 -0.00029 0.00000 -0.00124 -0.00116 -3.13925 D42 -0.00369 0.00084 0.00000 0.00331 0.00320 -0.00049 D43 -0.00082 0.00304 0.00000 0.01593 0.01597 0.01515 D44 -3.14077 0.00436 0.00000 0.02298 0.02301 -3.11776 D45 -3.13558 0.00224 0.00000 0.01207 0.01204 -3.12355 D46 0.00765 0.00357 0.00000 0.01912 0.01908 0.02672 D47 -1.04655 -0.00081 0.00000 -0.00432 -0.00431 -1.05086 D48 2.09341 -0.00215 0.00000 -0.01138 -0.01139 2.08202 Item Value Threshold Converged? Maximum Force 0.098702 0.000450 NO RMS Force 0.021944 0.000300 NO Maximum Displacement 0.366293 0.001800 NO RMS Displacement 0.080859 0.001200 NO Predicted change in Energy=-5.182712D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.919577 -5.038777 2.030541 2 6 0 7.309432 -4.833570 3.493778 3 8 0 6.559873 -6.388403 1.827793 4 8 0 2.794824 -1.804923 0.462081 5 6 0 3.630044 -2.612246 0.822004 6 7 0 4.954840 -2.219477 0.824878 7 6 0 6.054048 -2.957171 1.201282 8 8 0 7.175745 -2.495995 1.158752 9 7 0 5.773990 -4.217372 1.613581 10 6 0 4.478032 -4.715448 1.658022 11 6 0 3.423063 -3.982991 1.288536 12 1 0 7.746842 -4.813777 1.367616 13 1 0 8.382286 -4.936350 3.643757 14 1 0 7.017974 -3.854780 3.864439 15 1 0 5.143692 -1.274845 0.514632 16 1 0 4.323400 -5.725733 1.999302 17 7 0 2.099252 -4.556968 1.352503 18 1 0 6.806527 -5.586164 4.095350 19 1 0 7.347632 -6.958114 2.048823 20 8 0 0.935803 -3.824647 0.948294 21 8 0 1.947672 -5.897415 1.846102 22 1 0 0.884454 -3.015834 1.529933 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.528122 0.000000 3 O 1.411377 2.398927 0.000000 4 O 5.470967 6.224595 6.086794 0.000000 5 C 4.262587 5.060687 4.884145 1.216104 0.000000 6 N 3.641740 4.415950 4.578418 2.229159 1.381797 7 C 2.402061 3.217515 3.524448 3.535058 2.477624 8 O 2.700256 3.306732 3.997219 4.489477 3.563553 9 N 1.470011 2.504480 2.318809 4.002662 2.792764 10 C 2.490875 3.376504 2.676129 3.568560 2.416913 11 C 3.727046 4.548675 3.989534 2.412819 1.462681 12 H 1.083727 2.170780 2.024872 5.864784 4.700262 13 H 2.180017 1.088152 2.954213 7.151828 5.995628 14 H 2.185112 1.086448 3.282839 5.797668 4.719997 15 H 4.429327 5.121550 5.466118 2.408511 2.043098 16 H 2.685706 3.456269 2.338880 4.480217 3.400084 17 N 4.891565 5.639817 4.845327 2.974966 2.531145 18 H 2.139123 1.086830 2.417901 6.602438 5.445092 19 H 1.966576 2.569638 0.996990 7.056997 5.849113 20 O 6.200881 6.936898 6.243119 2.787767 2.957160 21 O 5.048873 5.709209 4.638297 4.402463 3.830337 22 H 6.384796 6.959971 6.608580 2.501226 2.863968 6 7 8 9 10 6 N 0.000000 7 C 1.376274 0.000000 8 O 2.262819 1.213547 0.000000 9 N 2.298835 1.355186 2.266037 0.000000 10 C 2.674200 2.404990 3.528867 1.389087 0.000000 11 C 2.381450 2.825244 4.038641 2.384837 1.336403 12 H 3.849706 2.517977 2.396225 2.075655 3.283158 13 H 5.203351 3.911973 3.685963 3.382566 4.385789 14 H 4.021152 2.971071 3.031820 2.597177 3.472799 15 H 1.012051 2.032353 2.456693 3.203659 3.686217 16 H 3.751242 3.361088 4.390171 2.127944 1.077524 17 N 3.727819 4.268797 5.482329 3.699620 2.403549 18 H 5.045722 3.981640 4.278910 3.016438 3.481466 19 H 5.447768 4.289433 4.553272 3.190212 3.662907 20 O 4.329487 5.197398 6.383297 4.899479 3.720837 21 O 4.859340 5.091478 6.274939 4.185370 2.799132 22 H 4.207058 5.180363 6.323634 5.035699 3.977298 11 12 13 14 15 11 C 0.000000 12 H 4.403581 0.000000 13 H 5.572240 2.366354 0.000000 14 H 4.424376 2.772193 1.754948 0.000000 15 H 3.300538 4.475267 5.804011 4.624955 0.000000 16 H 2.086371 3.598701 4.449934 3.773583 4.763143 17 N 1.444305 5.653446 6.698529 5.567469 4.554446 18 H 4.679337 2.986856 1.763296 1.759466 5.845856 19 H 4.983135 2.285081 2.775222 3.610516 6.285750 20 O 2.515412 6.895250 7.996969 6.745192 4.939219 21 O 2.480459 5.918918 6.749775 5.827006 5.775423 22 H 2.727307 7.095867 8.023349 6.616178 4.712005 16 17 18 19 20 16 H 0.000000 17 N 2.594454 0.000000 18 H 3.252509 5.544447 0.000000 19 H 3.266068 5.813421 2.522562 0.000000 20 O 4.024246 1.432932 6.890015 7.220896 0.000000 21 O 2.386845 1.436459 5.363251 5.506882 2.475138 22 H 4.403432 1.970358 6.946863 7.588379 0.997557 21 22 21 O 0.000000 22 H 3.087702 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.510831 -0.575936 -0.204223 2 6 0 3.163276 -0.741595 1.167648 3 8 0 2.349709 -1.844675 -0.801152 4 8 0 -2.339560 1.942577 0.045334 5 6 0 -1.322591 1.278746 -0.018001 6 7 0 -0.113609 1.945507 -0.074171 7 6 0 1.149122 1.401718 -0.136881 8 8 0 2.141421 2.098842 -0.182243 9 7 0 1.180666 0.046916 -0.143812 10 6 0 0.027331 -0.724959 -0.083891 11 6 0 -1.190470 -0.177946 -0.022994 12 1 0 3.127462 0.023835 -0.863391 13 1 0 4.244997 -0.635613 1.115467 14 1 0 2.796332 -0.016432 1.888660 15 1 0 -0.157789 2.956568 -0.067011 16 1 0 0.122159 -1.798287 -0.089653 17 7 0 -2.353607 -1.032331 0.033184 18 1 0 2.934901 -1.735903 1.542342 19 1 0 3.251209 -2.257506 -0.905351 20 8 0 -3.683175 -0.499820 0.077601 21 8 0 -2.167528 -2.456511 0.055602 22 1 0 -3.745342 0.059232 0.901442 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0698435 0.5076881 0.3631505 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 938.1734936023 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.41D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999996 -0.000757 -0.000443 0.002685 Ang= -0.32 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.349357464 A.U. after 15 cycles NFock= 15 Conv=0.99D-08 -V/T= 2.0027 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.003954121 -0.008763731 -0.006839989 2 6 -0.001991261 0.004227165 0.007247639 3 8 0.037668516 -0.022115425 0.007278262 4 8 0.017292091 -0.015389057 0.009739069 5 6 -0.018543356 0.021272523 -0.008698646 6 7 0.011224113 0.005315025 -0.001112443 7 6 0.000249406 -0.007908007 0.000255633 8 8 -0.001407452 0.002773442 0.000396408 9 7 0.028305217 0.005479511 -0.000906498 10 6 -0.014039889 -0.014304291 0.007351721 11 6 -0.086514842 -0.026597892 -0.003386783 12 1 -0.004083225 0.006761751 0.003619546 13 1 -0.000747287 -0.001241698 -0.001788455 14 1 0.002305772 -0.001523667 -0.003091075 15 1 -0.002915734 -0.014310781 0.004508046 16 1 0.002812826 0.009059714 -0.003946447 17 7 0.033749092 -0.002698995 0.006920932 18 1 -0.000498871 0.002694985 -0.000029653 19 1 -0.038032464 0.029040423 -0.010409825 20 8 0.031171559 0.018233401 0.032552667 21 8 0.003747456 0.050816793 -0.014995009 22 1 0.004202453 -0.040821188 -0.024665102 ------------------------------------------------------------------- Cartesian Forces: Max 0.086514842 RMS 0.019427915 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.076945262 RMS 0.012950200 Search for a local minimum. Step number 2 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -5.10D-02 DEPred=-5.18D-02 R= 9.85D-01 TightC=F SS= 1.41D+00 RLast= 3.07D-01 DXNew= 5.0454D-01 9.2016D-01 Trust test= 9.85D-01 RLast= 3.07D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00231 0.00232 0.00236 0.00442 0.00495 Eigenvalues --- 0.01455 0.01457 0.01563 0.01679 0.01844 Eigenvalues --- 0.01930 0.02008 0.02042 0.02351 0.02552 Eigenvalues --- 0.04723 0.05407 0.05415 0.05770 0.08385 Eigenvalues --- 0.15938 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16178 0.17923 0.18814 0.19766 Eigenvalues --- 0.23152 0.23914 0.24996 0.24999 0.25000 Eigenvalues --- 0.25000 0.25000 0.25114 0.29933 0.31967 Eigenvalues --- 0.33322 0.33941 0.34797 0.34827 0.34847 Eigenvalues --- 0.34855 0.34869 0.35677 0.38038 0.39879 Eigenvalues --- 0.42501 0.42793 0.44682 0.47316 0.49122 Eigenvalues --- 0.49758 0.50495 0.58563 0.90186 0.97292 RFO step: Lambda=-3.94254154D-02 EMin= 2.30506408D-03 Quartic linear search produced a step of 1.00327. Iteration 1 RMS(Cart)= 0.07723519 RMS(Int)= 0.01686009 Iteration 2 RMS(Cart)= 0.02969855 RMS(Int)= 0.00018430 Iteration 3 RMS(Cart)= 0.00010979 RMS(Int)= 0.00017497 Iteration 4 RMS(Cart)= 0.00000002 RMS(Int)= 0.00017497 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88773 0.00256 0.00682 0.00453 0.01135 2.89908 R2 2.66712 -0.00608 -0.01214 -0.00886 -0.02100 2.64611 R3 2.77792 -0.01349 -0.03876 -0.01426 -0.05302 2.72490 R4 2.04795 -0.00393 -0.01087 -0.00416 -0.01503 2.03291 R5 2.05631 -0.00087 -0.00293 -0.00016 -0.00309 2.05322 R6 2.05309 -0.00305 -0.00650 -0.00599 -0.01250 2.04059 R7 2.05381 -0.00165 -0.00528 -0.00075 -0.00603 2.04778 R8 1.88404 -0.04895 -0.10068 -0.07861 -0.17929 1.70475 R9 2.29810 -0.02497 -0.03658 -0.00938 -0.04596 2.25215 R10 2.61122 0.00544 0.00628 0.00965 0.01600 2.62722 R11 2.76407 0.00292 0.03204 -0.02983 0.00232 2.76638 R12 2.60078 -0.00536 -0.01727 -0.00017 -0.01746 2.58332 R13 1.91250 -0.01528 -0.03426 -0.01726 -0.05152 1.86098 R14 2.29327 -0.00026 -0.00616 0.00663 0.00047 2.29374 R15 2.56093 -0.01127 -0.02345 -0.00998 -0.03353 2.52740 R16 2.62499 0.01953 0.03066 0.03168 0.06226 2.68726 R17 2.52543 0.00810 -0.00161 0.02994 0.02835 2.55379 R18 2.03623 -0.01015 -0.02328 -0.01765 -0.04094 1.99529 R19 2.72934 -0.07695 -0.14345 -0.22308 -0.36654 2.36280 R20 2.70785 -0.04249 -0.08928 -0.08682 -0.17610 2.53174 R21 2.71451 -0.05297 -0.08244 -0.14941 -0.23185 2.48267 R22 1.88511 -0.04770 -0.09916 -0.07499 -0.17415 1.71096 A1 1.90814 0.00583 0.03295 0.00069 0.03365 1.94180 A2 1.97728 -0.00335 -0.01327 -0.00660 -0.02018 1.95710 A3 1.94240 -0.00124 -0.00231 -0.01791 -0.02111 1.92129 A4 1.87022 -0.00176 -0.01880 0.02409 0.00565 1.87587 A5 1.88095 0.00070 0.00602 0.00996 0.01594 1.89689 A6 1.88112 -0.00009 -0.00433 -0.00789 -0.01290 1.86822 A7 1.95069 -0.00262 -0.01222 -0.00418 -0.01654 1.93415 A8 1.95975 -0.00211 -0.00318 -0.01656 -0.01988 1.93987 A9 1.89544 0.00218 0.00832 0.00885 0.01728 1.91272 A10 1.87818 0.00157 0.00341 0.00403 0.00708 1.88526 A11 1.89075 0.00077 0.00418 0.00331 0.00760 1.89835 A12 1.88691 0.00036 0.00003 0.00539 0.00553 1.89244 A13 1.88936 -0.00248 -0.02204 0.01633 -0.00571 1.88365 A14 2.06052 -0.00038 -0.04590 0.07092 0.02485 2.08537 A15 2.23871 0.00080 0.04579 -0.06546 -0.01983 2.21888 A16 1.98383 -0.00044 0.00002 -0.00562 -0.00543 1.97839 A17 2.23185 0.00802 0.02224 0.01364 0.03594 2.26779 A18 2.03038 -0.00409 -0.00621 -0.01661 -0.02287 2.00751 A19 2.02095 -0.00393 -0.01603 0.00295 -0.01313 2.00782 A20 2.12346 -0.00246 0.00073 -0.01382 -0.01308 2.11038 A21 2.00049 -0.00144 -0.01112 0.00010 -0.01119 1.98930 A22 2.15924 0.00391 0.01042 0.01373 0.02415 2.18339 A23 2.03181 -0.00288 -0.01462 0.00326 -0.01131 2.02050 A24 2.11487 0.00359 0.01226 0.00443 0.01673 2.13160 A25 2.13645 -0.00072 0.00234 -0.00782 -0.00568 2.13077 A26 2.13072 0.00197 0.01805 -0.00648 0.01154 2.14225 A27 2.07169 -0.00229 -0.01343 -0.00141 -0.01484 2.05685 A28 2.08078 0.00032 -0.00463 0.00788 0.00325 2.08403 A29 2.08301 -0.00739 -0.03151 0.00619 -0.02522 2.05779 A30 2.11327 0.00820 0.09807 -0.10233 -0.00440 2.10887 A31 2.08690 -0.00081 -0.06654 0.09618 0.02950 2.11640 A32 2.12775 -0.00420 0.03372 -0.08122 -0.04753 2.08022 A33 2.07463 0.00409 -0.02017 0.05916 0.03896 2.11359 A34 2.08077 0.00010 -0.01358 0.02203 0.00842 2.08920 A35 1.86679 -0.00671 -0.04544 0.01805 -0.02739 1.83940 D1 1.63705 0.00096 0.00894 -0.02345 -0.01457 1.62248 D2 -2.53347 -0.00040 0.00219 -0.03304 -0.03067 -2.56414 D3 -0.44781 0.00018 0.00577 -0.03072 -0.02489 -0.47270 D4 -2.56176 0.00059 -0.00030 0.00326 0.00257 -2.55919 D5 -0.44909 -0.00077 -0.00705 -0.00634 -0.01353 -0.46262 D6 1.63657 -0.00018 -0.00347 -0.00401 -0.00775 1.62881 D7 -0.43876 -0.00287 -0.01755 -0.02518 -0.04265 -0.48141 D8 1.67390 -0.00423 -0.02430 -0.03477 -0.05874 1.61516 D9 -2.52362 -0.00365 -0.02072 -0.03245 -0.05297 -2.57659 D10 -1.05656 -0.00125 -0.00928 0.01202 0.00248 -1.05408 D11 3.07731 0.00044 -0.00155 0.00469 0.00301 3.08032 D12 1.05699 0.00108 0.01001 -0.00327 0.00713 1.06412 D13 1.49516 -0.00213 -0.00920 -0.00396 -0.01312 1.48203 D14 -1.63557 -0.00147 -0.00658 0.00913 0.00267 -1.63290 D15 -2.68204 0.00189 0.01096 0.00931 0.02024 -2.66180 D16 0.47042 0.00255 0.01358 0.02240 0.03603 0.50645 D17 -0.66183 0.00177 0.00612 0.02913 0.03513 -0.62670 D18 2.49063 0.00244 0.00874 0.04222 0.05092 2.54155 D19 3.13034 -0.00127 -0.00708 -0.01559 -0.02279 3.10755 D20 -0.00935 -0.00078 -0.00494 -0.00731 -0.01239 -0.02174 D21 0.00457 -0.00018 -0.00042 -0.00498 -0.00553 -0.00096 D22 -3.13511 0.00031 0.00173 0.00329 0.00487 -3.13024 D23 -3.12829 0.00188 0.01186 0.01740 0.02902 -3.09926 D24 0.01619 0.00095 0.00808 0.00081 0.00888 0.02507 D25 -0.00448 0.00065 0.00376 0.00707 0.01069 0.00621 D26 3.13999 -0.00028 -0.00002 -0.00952 -0.00945 3.13054 D27 -3.14135 0.00094 0.00493 0.01229 0.01700 -3.12435 D28 0.00080 -0.00014 -0.00198 0.00298 0.00096 0.00177 D29 -0.00166 0.00045 0.00279 0.00403 0.00658 0.00493 D30 3.14050 -0.00062 -0.00412 -0.00528 -0.00945 3.13105 D31 -3.13716 0.00075 0.00403 0.01044 0.01444 -3.12271 D32 -0.00657 0.00010 0.00142 -0.00275 -0.00119 -0.00776 D33 0.00501 -0.00036 -0.00299 0.00093 -0.00235 0.00266 D34 3.13559 -0.00100 -0.00559 -0.01226 -0.01798 3.11761 D35 3.13678 -0.00037 -0.00108 -0.00830 -0.00950 3.12728 D36 -0.00779 -0.00091 -0.00433 -0.01342 -0.01781 -0.02560 D37 0.00671 0.00035 0.00177 0.00551 0.00731 0.01402 D38 -3.13786 -0.00020 -0.00148 0.00039 -0.00100 -3.13886 D39 -0.00064 -0.00071 -0.00443 -0.00762 -0.01198 -0.01263 D40 3.13811 0.00022 -0.00006 0.00839 0.00820 -3.13688 D41 -3.13925 -0.00016 -0.00116 -0.00246 -0.00351 3.14043 D42 -0.00049 0.00077 0.00321 0.01355 0.01666 0.01617 D43 0.01515 0.00274 0.01602 0.04372 0.05987 0.07502 D44 -3.11776 0.00361 0.02309 0.04854 0.07181 -3.04595 D45 -3.12355 0.00182 0.01208 0.02724 0.03913 -3.08441 D46 0.02672 0.00269 0.01914 0.03205 0.05107 0.07780 D47 -1.05086 -0.00157 -0.00433 -0.05086 -0.05526 -1.10612 D48 2.08202 -0.00242 -0.01142 -0.05552 -0.06687 2.01515 Item Value Threshold Converged? Maximum Force 0.076945 0.000450 NO RMS Force 0.012950 0.000300 NO Maximum Displacement 0.488792 0.001800 NO RMS Displacement 0.096113 0.001200 NO Predicted change in Energy=-4.367032D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.897177 -5.045959 2.016387 2 6 0 7.271878 -4.805580 3.484503 3 8 0 6.582843 -6.390953 1.786344 4 8 0 2.752492 -1.862207 0.537245 5 6 0 3.579289 -2.660249 0.853293 6 7 0 4.919738 -2.291446 0.858052 7 6 0 6.026655 -3.011244 1.212173 8 8 0 7.133399 -2.514655 1.169486 9 7 0 5.758728 -4.259567 1.610487 10 6 0 4.431487 -4.767435 1.662270 11 6 0 3.354347 -4.035976 1.300279 12 1 0 7.716067 -4.769042 1.376059 13 1 0 8.346163 -4.884317 3.626738 14 1 0 6.963037 -3.823234 3.809552 15 1 0 5.098289 -1.366519 0.570937 16 1 0 4.296433 -5.762191 1.989480 17 7 0 2.198528 -4.508923 1.361570 18 1 0 6.782437 -5.542932 4.109832 19 1 0 7.310051 -6.884686 1.989352 20 8 0 1.166900 -3.770951 0.930236 21 8 0 1.979951 -5.703964 1.861663 22 1 0 1.143111 -3.048968 1.476063 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.534128 0.000000 3 O 1.400263 2.423205 0.000000 4 O 5.431625 6.146107 6.061467 0.000000 5 C 4.248857 5.016067 4.879557 1.191784 0.000000 6 N 3.583203 4.330321 4.520355 2.232513 1.390266 7 C 2.354704 3.151778 3.472960 3.534962 2.498318 8 O 2.679653 3.259880 3.963498 4.474121 3.571116 9 N 1.441955 2.469755 2.291920 3.992072 2.807333 10 C 2.506513 3.374880 2.698062 3.539076 2.412658 11 C 3.752935 4.550844 4.025589 2.381118 1.463906 12 H 1.075771 2.155035 2.020675 5.812949 4.672604 13 H 2.172307 1.086516 2.960794 7.068753 5.946559 14 H 2.171367 1.079835 3.291064 5.681752 4.641309 15 H 4.343225 5.004049 5.378295 2.397833 2.015148 16 H 2.697700 3.464603 2.379974 4.438763 3.380424 17 N 4.774359 5.507607 4.790062 2.826923 2.362720 18 H 2.154684 1.083641 2.481446 6.523157 5.401395 19 H 1.884705 2.561175 0.902117 6.935795 5.749355 20 O 5.970046 6.698172 6.076988 2.512340 2.656916 21 O 4.963469 5.607602 4.654487 4.136424 3.583141 22 H 6.114671 6.684408 6.391856 2.209048 2.544388 6 7 8 9 10 6 N 0.000000 7 C 1.367032 0.000000 8 O 2.246577 1.213798 0.000000 9 N 2.267942 1.337441 2.264711 0.000000 10 C 2.648712 2.414820 3.552208 1.422035 0.000000 11 C 2.385245 2.863401 4.075875 2.434599 1.351407 12 H 3.771773 2.443528 2.337613 2.036099 3.297027 13 H 5.111652 3.836488 3.622731 3.339221 4.381494 14 H 3.902921 2.877936 2.951499 2.544923 3.451244 15 H 0.984787 1.994535 2.412084 3.144292 3.633437 16 H 3.703337 3.341494 4.389448 2.130686 1.055862 17 N 3.546226 4.113383 5.326063 3.577592 2.267897 18 H 4.961440 3.921362 4.235478 2.990273 3.481225 19 H 5.300121 4.153873 4.449782 3.072685 3.588295 20 O 4.034593 4.926851 6.102019 4.667588 3.490900 21 O 4.614635 4.903916 6.099904 4.053213 2.631895 22 H 3.901113 4.890814 6.021879 4.773630 3.714999 11 12 13 14 15 11 C 0.000000 12 H 4.423543 0.000000 13 H 5.572281 2.340056 0.000000 14 H 4.400494 2.717259 1.752814 0.000000 15 H 3.270974 4.367854 5.679921 4.472288 0.000000 16 H 2.083829 3.613382 4.455512 3.766031 4.687981 17 N 1.250342 5.523687 6.562418 5.400308 4.348381 18 H 4.681485 2.990667 1.764198 1.755035 5.727352 19 H 4.923166 2.239850 2.784967 3.578552 6.111789 20 O 2.234300 6.639770 7.749357 6.472125 4.622360 21 O 2.233003 5.832060 6.657024 5.671205 5.495765 22 H 2.427890 6.795028 7.738079 6.317926 4.392416 16 17 18 19 20 16 H 0.000000 17 N 2.523125 0.000000 18 H 3.274780 5.443744 0.000000 19 H 3.215880 5.671510 2.564199 0.000000 20 O 3.857592 1.339742 6.692085 6.968169 0.000000 21 O 2.320737 1.313770 5.305098 5.460803 2.294591 22 H 4.191493 1.805126 6.705116 7.280614 0.905402 21 22 21 O 0.000000 22 H 2.810336 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.496488 -0.520791 -0.205846 2 6 0 3.125612 -0.634677 1.188708 3 8 0 2.406432 -1.773027 -0.825953 4 8 0 -2.405960 1.800972 0.073382 5 6 0 -1.391919 1.181427 -0.017364 6 7 0 -0.179492 1.858852 -0.080260 7 6 0 1.095697 1.371089 -0.149222 8 8 0 2.049475 2.121189 -0.180215 9 7 0 1.167044 0.035583 -0.158309 10 6 0 0.006397 -0.783306 -0.091223 11 6 0 -1.244252 -0.274958 -0.029924 12 1 0 3.088250 0.129144 -0.826077 13 1 0 4.199673 -0.477475 1.141820 14 1 0 2.710030 0.097836 1.864549 15 1 0 -0.249733 2.840984 -0.063223 16 1 0 0.140447 -1.830583 -0.100504 17 7 0 -2.245557 -1.021112 0.033306 18 1 0 2.935054 -1.621525 1.593795 19 1 0 3.241824 -2.104011 -0.905848 20 8 0 -3.468889 -0.474937 0.025720 21 8 0 -2.115317 -2.324842 0.129838 22 1 0 -3.513574 0.024834 0.779368 --------------------------------------------------------------------- Rotational constants (GHZ): 1.1464264 0.5261154 0.3821685 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 962.5434034382 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 7.45D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999939 0.002881 0.000404 -0.010665 Ang= 1.27 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.360419976 A.U. after 16 cycles NFock= 16 Conv=0.58D-08 -V/T= 2.0006 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.004667615 -0.004001175 0.001601716 2 6 0.000765756 -0.002834932 0.000636957 3 8 -0.043563887 0.031478786 -0.012663039 4 8 -0.004052739 0.022827059 -0.004401006 5 6 0.024143735 -0.004008822 0.004334920 6 7 -0.015441980 -0.003136415 -0.002762482 7 6 -0.003963885 -0.016584683 0.004543937 8 8 0.008719223 0.006786409 -0.000872869 9 7 0.004050181 0.010616053 -0.007759357 10 6 0.013969772 -0.006136027 0.008670717 11 6 0.079422996 0.031221121 -0.010491627 12 1 0.002124570 0.004236562 -0.000112230 13 1 0.000616814 -0.001439944 0.000839853 14 1 0.001524999 0.001925008 -0.000785140 15 1 0.002494266 0.011323937 -0.003401801 16 1 0.003466827 -0.004728148 0.001065955 17 7 -0.063228510 -0.047231778 0.012647347 18 1 -0.001602636 0.000292923 0.000905159 19 1 0.047266676 -0.034097468 0.013330868 20 8 -0.031005268 -0.037549962 -0.036495437 21 8 -0.010971166 -0.004396330 0.001612878 22 1 -0.010068128 0.045437825 0.029554682 ------------------------------------------------------------------- Cartesian Forces: Max 0.079422996 RMS 0.021291214 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.123462498 RMS 0.016459151 Search for a local minimum. Step number 3 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 DE= -1.11D-02 DEPred=-4.37D-02 R= 2.53D-01 Trust test= 2.53D-01 RLast= 5.94D-01 DXMaxT set to 5.05D-01 ITU= 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00234 0.00237 0.00441 0.00495 Eigenvalues --- 0.01452 0.01457 0.01557 0.01684 0.01851 Eigenvalues --- 0.01930 0.02012 0.02041 0.02348 0.02556 Eigenvalues --- 0.04936 0.05274 0.05596 0.05725 0.08198 Eigenvalues --- 0.15905 0.15999 0.16000 0.16000 0.16000 Eigenvalues --- 0.16011 0.16170 0.17926 0.19924 0.22611 Eigenvalues --- 0.23825 0.24224 0.24982 0.24992 0.24997 Eigenvalues --- 0.24997 0.25061 0.29718 0.30165 0.32227 Eigenvalues --- 0.33620 0.34776 0.34827 0.34847 0.34855 Eigenvalues --- 0.34869 0.35678 0.36526 0.39875 0.42488 Eigenvalues --- 0.42776 0.44185 0.46918 0.48417 0.49144 Eigenvalues --- 0.49873 0.55839 0.63492 0.90438 0.97608 RFO step: Lambda=-2.15203626D-02 EMin= 2.29701937D-03 Quartic linear search produced a step of -0.39064. Iteration 1 RMS(Cart)= 0.10775859 RMS(Int)= 0.00725644 Iteration 2 RMS(Cart)= 0.01123104 RMS(Int)= 0.00024551 Iteration 3 RMS(Cart)= 0.00021311 RMS(Int)= 0.00021896 Iteration 4 RMS(Cart)= 0.00000008 RMS(Int)= 0.00021896 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89908 0.00152 -0.00443 0.00844 0.00400 2.90308 R2 2.64611 0.00157 0.00820 -0.00715 0.00105 2.64716 R3 2.72490 0.00542 0.02071 -0.01582 0.00489 2.72979 R4 2.03291 0.00277 0.00587 -0.00251 0.00336 2.03627 R5 2.05322 0.00082 0.00121 -0.00006 0.00114 2.05436 R6 2.04059 0.00108 0.00488 -0.00422 0.00066 2.04125 R7 2.04778 0.00105 0.00235 -0.00104 0.00131 2.04910 R8 1.70475 0.05976 0.07004 0.00284 0.07287 1.77763 R9 2.25215 0.01926 0.01795 -0.00305 0.01490 2.26705 R10 2.62722 -0.00589 -0.00625 -0.00050 -0.00678 2.62045 R11 2.76638 0.02462 -0.00090 0.03533 0.03443 2.80081 R12 2.58332 0.00746 0.00682 0.00028 0.00707 2.59039 R13 1.86098 0.01208 0.02013 -0.00641 0.01371 1.87469 R14 2.29374 0.01076 -0.00018 0.00734 0.00715 2.30090 R15 2.52740 -0.00584 0.01310 -0.02094 -0.00784 2.51956 R16 2.68726 0.00545 -0.02432 0.03315 0.00886 2.69611 R17 2.55379 0.02577 -0.01108 0.03992 0.02888 2.58267 R18 1.99529 0.00434 0.01599 -0.01240 0.00359 1.99888 R19 2.36280 0.12346 0.14319 0.03710 0.18028 2.54309 R20 2.53174 0.03821 0.06879 -0.02291 0.04588 2.57763 R21 2.48267 0.00644 0.09057 -0.10290 -0.01233 2.47033 R22 1.71096 0.05431 0.06803 -0.00240 0.06563 1.77660 A1 1.94180 -0.00247 -0.01315 0.02143 0.00823 1.95003 A2 1.95710 0.00132 0.00788 -0.01031 -0.00250 1.95460 A3 1.92129 -0.00063 0.00825 -0.02720 -0.01895 1.90234 A4 1.87587 0.00180 -0.00221 0.01630 0.01400 1.88987 A5 1.89689 0.00091 -0.00623 0.02652 0.02039 1.91727 A6 1.86822 -0.00082 0.00504 -0.02637 -0.02136 1.84685 A7 1.93415 0.00069 0.00646 -0.00989 -0.00342 1.93074 A8 1.93987 -0.00093 0.00777 -0.01791 -0.01013 1.92974 A9 1.91272 0.00039 -0.00675 0.01558 0.00880 1.92152 A10 1.88526 -0.00018 -0.00277 -0.00160 -0.00432 1.88094 A11 1.89835 -0.00034 -0.00297 0.00741 0.00440 1.90275 A12 1.89244 0.00037 -0.00216 0.00699 0.00482 1.89725 A13 1.88365 0.00279 0.00223 0.00513 0.00736 1.89101 A14 2.08537 -0.01726 -0.00971 -0.02209 -0.03202 2.05335 A15 2.21888 0.01262 0.00775 0.01340 0.02085 2.23972 A16 1.97839 0.00461 0.00212 0.00715 0.00909 1.98748 A17 2.26779 0.00298 -0.01404 0.02243 0.00832 2.27611 A18 2.00751 -0.00119 0.00893 -0.01355 -0.00471 2.00280 A19 2.00782 -0.00179 0.00513 -0.00918 -0.00415 2.00368 A20 2.11038 -0.00400 0.00511 -0.01322 -0.00828 2.10210 A21 1.98930 0.00194 0.00437 -0.00776 -0.00350 1.98580 A22 2.18339 0.00206 -0.00944 0.02041 0.01080 2.19419 A23 2.02050 0.00225 0.00442 -0.00029 0.00389 2.02438 A24 2.13160 -0.00469 -0.00653 -0.00074 -0.00748 2.12412 A25 2.13077 0.00243 0.00222 0.00002 0.00215 2.13292 A26 2.14225 0.00296 -0.00451 0.01784 0.01340 2.15565 A27 2.05685 -0.00547 0.00580 -0.02791 -0.02223 2.03462 A28 2.08403 0.00251 -0.00127 0.00984 0.00844 2.09247 A29 2.05779 -0.01492 0.00985 -0.04002 -0.03029 2.02750 A30 2.10887 0.01941 0.00172 0.03225 0.03363 2.14250 A31 2.11640 -0.00450 -0.01152 0.00697 -0.00485 2.11155 A32 2.08022 0.02801 0.01857 0.03262 0.05083 2.13104 A33 2.11359 -0.00156 -0.01522 0.01971 0.00412 2.11771 A34 2.08920 -0.02638 -0.00329 -0.05150 -0.05515 2.03405 A35 1.83940 0.01571 0.01070 0.03258 0.04328 1.88268 D1 1.62248 -0.00171 0.00569 -0.08342 -0.07772 1.54476 D2 -2.56414 -0.00210 0.01198 -0.10393 -0.09198 -2.65612 D3 -0.47270 -0.00197 0.00972 -0.09643 -0.08673 -0.55943 D4 -2.55919 -0.00022 -0.00100 -0.05464 -0.05559 -2.61479 D5 -0.46262 -0.00061 0.00529 -0.07516 -0.06986 -0.53249 D6 1.62881 -0.00048 0.00303 -0.06766 -0.06461 1.56420 D7 -0.48141 -0.00082 0.01666 -0.11260 -0.09593 -0.57735 D8 1.61516 -0.00121 0.02295 -0.13312 -0.11020 1.50496 D9 -2.57659 -0.00108 0.02069 -0.12562 -0.10495 -2.68154 D10 -1.05408 0.00118 -0.00097 0.01476 0.01384 -1.04024 D11 3.08032 -0.00012 -0.00118 0.00317 0.00206 3.08238 D12 1.06412 -0.00057 -0.00278 0.01199 0.00909 1.07321 D13 1.48203 0.00093 0.00513 0.02841 0.03359 1.51563 D14 -1.63290 0.00165 -0.00104 0.07051 0.06943 -1.56347 D15 -2.66180 -0.00010 -0.00791 0.05985 0.05205 -2.60974 D16 0.50645 0.00062 -0.01408 0.10195 0.08789 0.59435 D17 -0.62670 0.00145 -0.01372 0.08548 0.07173 -0.55497 D18 2.54155 0.00217 -0.01989 0.12758 0.10757 2.64912 D19 3.10755 -0.00131 0.00890 -0.06698 -0.05769 3.04986 D20 -0.02174 -0.00052 0.00484 -0.03563 -0.03033 -0.05207 D21 -0.00096 -0.00086 0.00216 -0.02112 -0.01938 -0.02035 D22 -3.13024 -0.00006 -0.00190 0.01023 0.00797 -3.12227 D23 -3.09926 0.00234 -0.01134 0.08859 0.07774 -3.02152 D24 0.02507 0.00137 -0.00347 0.03717 0.03395 0.05902 D25 0.00621 0.00115 -0.00418 0.03769 0.03324 0.03944 D26 3.13054 0.00018 0.00369 -0.01373 -0.01055 3.11999 D27 -3.12435 0.00070 -0.00664 0.04081 0.03425 -3.09011 D28 0.00177 0.00020 -0.00038 0.00263 0.00240 0.00417 D29 0.00493 -0.00010 -0.00257 0.00943 0.00688 0.01181 D30 3.13105 -0.00060 0.00369 -0.02875 -0.02497 3.10608 D31 -3.12271 0.00092 -0.00564 0.04140 0.03610 -3.08661 D32 -0.00776 0.00008 0.00046 -0.00070 -0.00009 -0.00786 D33 0.00266 0.00033 0.00092 0.00100 0.00207 0.00473 D34 3.11761 -0.00050 0.00703 -0.04110 -0.03413 3.08348 D35 3.12728 -0.00036 0.00371 -0.02356 -0.01971 3.10757 D36 -0.02560 -0.00102 0.00696 -0.04771 -0.04053 -0.06613 D37 0.01402 0.00042 -0.00286 0.02120 0.01835 0.03238 D38 -3.13886 -0.00025 0.00039 -0.00296 -0.00247 -3.14132 D39 -0.01263 -0.00099 0.00468 -0.03988 -0.03478 -0.04741 D40 -3.13688 -0.00027 -0.00320 0.01151 0.00776 -3.12912 D41 3.14043 -0.00027 0.00137 -0.01513 -0.01312 3.12731 D42 0.01617 0.00046 -0.00651 0.03626 0.02942 0.04559 D43 0.07502 0.00461 -0.02339 0.26687 0.24404 0.31906 D44 -3.04595 0.00131 -0.02805 0.22074 0.19269 -2.85326 D45 -3.08441 0.00351 -0.01529 0.21326 0.19797 -2.88644 D46 0.07780 0.00021 -0.01995 0.16713 0.14662 0.22442 D47 -1.10612 -0.00363 0.02159 -0.22995 -0.20778 -1.31389 D48 2.01515 -0.00009 0.02612 -0.18364 -0.15811 1.85704 Item Value Threshold Converged? Maximum Force 0.123462 0.000450 NO RMS Force 0.016459 0.000300 NO Maximum Displacement 0.610728 0.001800 NO RMS Displacement 0.114005 0.001200 NO Predicted change in Energy=-2.667401D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.925949 -5.050931 2.003919 2 6 0 7.256465 -4.835732 3.488675 3 8 0 6.643748 -6.394357 1.724881 4 8 0 2.831145 -1.748446 0.629380 5 6 0 3.626187 -2.612199 0.876464 6 7 0 4.971224 -2.276165 0.847526 7 6 0 6.078864 -3.014475 1.174710 8 8 0 7.188301 -2.514717 1.131137 9 7 0 5.798657 -4.253507 1.579621 10 6 0 4.460556 -4.740875 1.666178 11 6 0 3.364997 -4.004657 1.311822 12 1 0 7.760380 -4.720759 1.407411 13 1 0 8.319671 -4.974218 3.668253 14 1 0 6.998698 -3.831923 3.793175 15 1 0 5.160015 -1.341341 0.574368 16 1 0 4.340637 -5.737884 1.998516 17 7 0 2.123358 -4.510565 1.427643 18 1 0 6.700451 -5.538056 4.099716 19 1 0 7.397735 -6.908754 1.952429 20 8 0 1.045964 -3.932980 0.822520 21 8 0 1.896069 -5.606512 2.103016 22 1 0 0.819928 -3.161944 1.310641 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.536246 0.000000 3 O 1.400818 2.432222 0.000000 4 O 5.437204 6.106583 6.109055 0.000000 5 C 4.255232 4.994664 4.912251 1.199671 0.000000 6 N 3.585739 4.330055 4.530628 2.214952 1.386680 7 C 2.356331 3.171459 3.470646 3.528157 2.503279 8 O 2.694989 3.309040 3.962408 4.452385 3.572537 9 N 1.444542 2.471574 2.306191 3.998051 2.812108 10 C 2.507661 3.338802 2.739302 3.561539 2.418901 11 C 3.775456 4.535735 4.078173 2.416860 1.482125 12 H 1.077549 2.144484 2.036808 5.808385 4.671133 13 H 2.172177 1.087122 2.932952 7.054379 5.949959 14 H 2.166267 1.080184 3.312084 5.631960 4.622636 15 H 4.350080 5.009896 5.390558 2.364824 2.014689 16 H 2.675028 3.396543 2.410426 4.479812 3.396961 17 N 4.867132 5.540972 4.906215 2.960995 2.483161 18 H 2.163447 1.084335 2.525135 6.432410 5.329267 19 H 1.917482 2.584073 0.940680 7.016622 5.817445 20 O 6.100798 6.818626 6.181247 2.827784 2.899124 21 O 5.061441 5.589990 4.827436 4.234458 3.669284 22 H 6.429028 6.998172 6.673603 2.550899 2.892372 6 7 8 9 10 6 N 0.000000 7 C 1.370773 0.000000 8 O 2.247837 1.217582 0.000000 9 N 2.265059 1.333293 2.270604 0.000000 10 C 2.646841 2.416800 3.561270 1.426721 0.000000 11 C 2.404832 2.892116 4.107337 2.460963 1.366688 12 H 3.750854 2.406876 2.295697 2.023942 3.310016 13 H 5.142771 3.883241 3.710270 3.352211 4.353794 14 H 3.899729 2.893212 2.976144 2.552970 3.434017 15 H 0.992045 2.001018 2.408474 3.146285 3.638423 16 H 3.702150 3.334224 4.387522 2.122420 1.057760 17 N 3.665981 4.236543 5.452062 3.687411 2.360601 18 H 4.920051 3.912862 4.265096 2.968868 3.402166 19 H 5.345058 4.184457 4.475036 3.121918 3.661783 20 O 4.260672 5.128136 6.311499 4.823280 3.608863 21 O 4.703620 5.007612 6.205760 4.163502 2.741669 22 H 4.269934 5.262759 6.403694 5.104077 3.984169 11 12 13 14 15 11 C 0.000000 12 H 4.454361 0.000000 13 H 5.571500 2.342745 0.000000 14 H 4.403491 2.657454 1.750833 0.000000 15 H 3.295326 4.344689 5.723054 4.465923 0.000000 16 H 2.104162 3.616434 4.382228 3.730788 4.693524 17 N 1.345744 5.640976 6.605271 5.461249 4.471392 18 H 4.609655 3.006648 1.768035 1.758923 5.693280 19 H 5.010702 2.283830 2.745259 3.607557 6.156503 20 O 2.371175 6.785726 7.879669 6.653574 4.868633 21 O 2.312937 5.971480 6.641719 5.660621 5.584065 22 H 2.680959 7.114011 8.067764 6.692462 4.763722 16 17 18 19 20 16 H 0.000000 17 N 2.597794 0.000000 18 H 3.166022 5.398656 0.000000 19 H 3.273975 5.817711 2.641185 0.000000 20 O 3.936434 1.364022 6.729748 7.104711 0.000000 21 O 2.450325 1.307244 5.203228 5.655691 2.272236 22 H 4.416337 1.879202 6.928593 7.597238 0.940134 21 22 21 O 0.000000 22 H 2.786010 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.503624 -0.581828 -0.203553 2 6 0 3.071270 -0.778722 1.210329 3 8 0 2.412566 -1.794237 -0.899302 4 8 0 -2.293047 1.950063 0.176792 5 6 0 -1.326586 1.260007 0.006537 6 7 0 -0.092360 1.887903 -0.066363 7 6 0 1.169395 1.359794 -0.156337 8 8 0 2.144663 2.088737 -0.156722 9 7 0 1.193826 0.026947 -0.180635 10 6 0 0.003899 -0.756858 -0.108138 11 6 0 -1.251062 -0.219274 -0.045598 12 1 0 3.136479 0.103186 -0.743334 13 1 0 4.156658 -0.718392 1.199010 14 1 0 2.705354 -0.011114 1.876424 15 1 0 -0.126398 2.878045 -0.015245 16 1 0 0.126728 -1.807131 -0.134495 17 7 0 -2.338970 -1.007218 0.035822 18 1 0 2.775182 -1.746650 1.599209 19 1 0 3.274461 -2.166133 -0.960209 20 8 0 -3.596959 -0.531857 -0.192325 21 8 0 -2.236360 -2.282033 0.306385 22 1 0 -3.856092 -0.029344 0.558796 --------------------------------------------------------------------- Rotational constants (GHZ): 1.1038421 0.5097433 0.3714019 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 948.9685941504 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 9.05D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999892 -0.004950 0.002593 0.013576 Ang= -1.68 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.378614093 A.U. after 16 cycles NFock= 16 Conv=0.32D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001269716 0.000366966 0.004031299 2 6 -0.001068616 -0.003331806 -0.001138499 3 8 -0.004111677 0.005190060 -0.002182907 4 8 -0.006642177 0.000187312 -0.002020798 5 6 0.002746701 -0.001710175 0.006644524 6 7 -0.003769966 -0.002964233 -0.005431083 7 6 -0.002730116 0.001989730 0.003455779 8 8 0.001119554 -0.000293175 -0.001695363 9 7 -0.003792652 -0.002764900 -0.003649997 10 6 -0.005666070 0.005425162 0.000320421 11 6 -0.005350976 -0.008221456 -0.006434344 12 1 0.000793543 0.000427769 -0.000331576 13 1 0.000050449 -0.002167080 0.000722655 14 1 0.001342638 0.001582575 -0.000191662 15 1 0.000597634 0.004219566 -0.000649182 16 1 0.000869346 -0.004549606 0.001841915 17 7 0.021163202 0.017007205 0.006685395 18 1 -0.001218570 0.000726631 0.000335703 19 1 0.005275014 -0.003756527 0.002073175 20 8 0.001782791 0.001608578 -0.016544073 21 8 -0.000815184 -0.016379970 0.006410069 22 1 -0.001844586 0.007407374 0.007748547 ------------------------------------------------------------------- Cartesian Forces: Max 0.021163202 RMS 0.005626807 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.021972031 RMS 0.004432443 Search for a local minimum. Step number 4 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 DE= -1.82D-02 DEPred=-2.67D-02 R= 6.82D-01 TightC=F SS= 1.41D+00 RLast= 6.39D-01 DXNew= 8.4853D-01 1.9181D+00 Trust test= 6.82D-01 RLast= 6.39D-01 DXMaxT set to 8.49D-01 ITU= 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00231 0.00235 0.00263 0.00435 0.00491 Eigenvalues --- 0.01453 0.01457 0.01534 0.01702 0.01849 Eigenvalues --- 0.01932 0.02025 0.02043 0.02354 0.02563 Eigenvalues --- 0.04964 0.05303 0.05667 0.05687 0.08073 Eigenvalues --- 0.15875 0.15994 0.15997 0.16000 0.16000 Eigenvalues --- 0.16011 0.16232 0.18012 0.20120 0.22669 Eigenvalues --- 0.23826 0.24247 0.24843 0.24910 0.24967 Eigenvalues --- 0.24978 0.25068 0.29579 0.30059 0.32219 Eigenvalues --- 0.33646 0.34781 0.34827 0.34847 0.34854 Eigenvalues --- 0.34868 0.35668 0.37064 0.39861 0.42488 Eigenvalues --- 0.42763 0.44272 0.46496 0.47872 0.49535 Eigenvalues --- 0.49974 0.58157 0.76009 0.89942 0.97287 RFO step: Lambda=-8.25856734D-03 EMin= 2.30835681D-03 Quartic linear search produced a step of -0.12246. Iteration 1 RMS(Cart)= 0.07770171 RMS(Int)= 0.01766232 Iteration 2 RMS(Cart)= 0.02524896 RMS(Int)= 0.00207379 Iteration 3 RMS(Cart)= 0.00118856 RMS(Int)= 0.00173932 Iteration 4 RMS(Cart)= 0.00000314 RMS(Int)= 0.00173932 Iteration 5 RMS(Cart)= 0.00000002 RMS(Int)= 0.00173932 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90308 -0.00090 -0.00049 -0.00190 -0.00239 2.90070 R2 2.64716 -0.00159 -0.00013 -0.00216 -0.00229 2.64487 R3 2.72979 0.00333 -0.00060 0.00992 0.00932 2.73911 R4 2.03627 0.00093 -0.00041 0.00321 0.00280 2.03907 R5 2.05436 0.00044 -0.00014 0.00126 0.00112 2.05548 R6 2.04125 0.00110 -0.00008 0.00344 0.00336 2.04461 R7 2.04910 0.00034 -0.00016 0.00102 0.00086 2.04996 R8 1.77763 0.00678 -0.00892 0.03996 0.03104 1.80866 R9 2.26705 0.00495 -0.00183 0.00864 0.00682 2.27387 R10 2.62045 -0.00272 0.00083 -0.00750 -0.00665 2.61379 R11 2.80081 -0.00496 -0.00422 0.00277 -0.00142 2.79939 R12 2.59039 0.00319 -0.00087 0.00754 0.00666 2.59704 R13 1.87469 0.00427 -0.00168 0.01303 0.01135 1.88604 R14 2.30090 0.00096 -0.00088 0.00152 0.00065 2.30154 R15 2.51956 0.00456 0.00096 0.00683 0.00776 2.52732 R16 2.69611 -0.00310 -0.00108 -0.00642 -0.00752 2.68860 R17 2.58267 -0.00801 -0.00354 -0.00972 -0.01324 2.56943 R18 1.99888 0.00477 -0.00044 0.01411 0.01367 2.01255 R19 2.54309 -0.02197 -0.02208 0.00991 -0.01217 2.53092 R20 2.57763 0.00777 -0.00562 0.03939 0.03377 2.61140 R21 2.47033 0.01719 0.00151 0.05788 0.05939 2.52972 R22 1.77660 0.01054 -0.00804 0.04573 0.03770 1.81429 A1 1.95003 -0.00153 -0.00101 -0.01042 -0.01143 1.93859 A2 1.95460 0.00209 0.00031 0.00718 0.00727 1.96187 A3 1.90234 0.00037 0.00232 0.01062 0.01279 1.91513 A4 1.88987 -0.00159 -0.00171 -0.01696 -0.01867 1.87120 A5 1.91727 0.00004 -0.00250 -0.00265 -0.00503 1.91224 A6 1.84685 0.00073 0.00262 0.01327 0.01573 1.86258 A7 1.93074 0.00036 0.00042 0.00067 0.00109 1.93183 A8 1.92974 -0.00006 0.00124 0.00061 0.00185 1.93159 A9 1.92152 -0.00004 -0.00108 0.00035 -0.00073 1.92079 A10 1.88094 0.00002 0.00053 -0.00001 0.00053 1.88147 A11 1.90275 -0.00038 -0.00054 -0.00284 -0.00338 1.89937 A12 1.89725 0.00011 -0.00059 0.00117 0.00058 1.89783 A13 1.89101 -0.00002 -0.00090 -0.00265 -0.00355 1.88746 A14 2.05335 0.00557 0.00392 -0.00077 0.00256 2.05591 A15 2.23972 -0.00456 -0.00255 0.00459 0.00144 2.24116 A16 1.98748 -0.00088 -0.00111 0.00026 -0.00143 1.98605 A17 2.27611 -0.00372 -0.00102 -0.01128 -0.01248 2.26363 A18 2.00280 0.00168 0.00058 0.00609 0.00650 2.00930 A19 2.00368 0.00201 0.00051 0.00397 0.00434 2.00801 A20 2.10210 -0.00040 0.00101 -0.00232 -0.00148 2.10062 A21 1.98580 0.00114 0.00043 0.00616 0.00628 1.99209 A22 2.19419 -0.00068 -0.00132 -0.00226 -0.00376 2.19044 A23 2.02438 0.00623 -0.00048 0.01975 0.01931 2.04370 A24 2.12412 -0.00562 0.00092 -0.02192 -0.02096 2.10315 A25 2.13292 -0.00063 -0.00026 0.00122 0.00088 2.13380 A26 2.15565 -0.00325 -0.00164 -0.00856 -0.01022 2.14543 A27 2.03462 0.00019 0.00272 -0.00641 -0.00368 2.03094 A28 2.09247 0.00307 -0.00103 0.01518 0.01415 2.10662 A29 2.02750 0.00731 0.00371 0.01117 0.01483 2.04233 A30 2.14250 -0.01159 -0.00412 -0.00814 -0.01227 2.13023 A31 2.11155 0.00424 0.00059 -0.00452 -0.00398 2.10756 A32 2.13104 -0.01539 -0.00622 -0.02710 -0.04334 2.08770 A33 2.11771 0.00552 -0.00050 0.00712 -0.00344 2.11427 A34 2.03405 0.00978 0.00675 0.01306 0.00940 2.04345 A35 1.88268 -0.00388 -0.00530 -0.01609 -0.02139 1.86128 D1 1.54476 -0.00100 0.00952 -0.07025 -0.06074 1.48403 D2 -2.65612 -0.00078 0.01126 -0.06944 -0.05818 -2.71430 D3 -0.55943 -0.00072 0.01062 -0.06736 -0.05674 -0.61617 D4 -2.61479 -0.00266 0.00681 -0.09457 -0.08780 -2.70259 D5 -0.53249 -0.00244 0.00856 -0.09376 -0.08524 -0.61773 D6 1.56420 -0.00238 0.00791 -0.09168 -0.08381 1.48040 D7 -0.57735 -0.00030 0.01175 -0.06738 -0.05559 -0.63294 D8 1.50496 -0.00009 0.01349 -0.06657 -0.05303 1.45192 D9 -2.68154 -0.00002 0.01285 -0.06449 -0.05160 -2.73314 D10 -1.04024 0.00061 -0.00169 0.00469 0.00309 -1.03715 D11 3.08238 0.00009 -0.00025 0.01440 0.01406 3.09644 D12 1.07321 0.00008 -0.00111 0.00941 0.00829 1.08150 D13 1.51563 0.00209 -0.00411 0.07503 0.07095 1.58658 D14 -1.56347 0.00254 -0.00850 0.09165 0.08321 -1.48026 D15 -2.60974 0.00042 -0.00637 0.05465 0.04830 -2.56144 D16 0.59435 0.00087 -0.01076 0.07128 0.06055 0.65490 D17 -0.55497 0.00006 -0.00878 0.05013 0.04127 -0.51371 D18 2.64912 0.00051 -0.01317 0.06676 0.05352 2.70264 D19 3.04986 -0.00022 0.00706 -0.00814 -0.00083 3.04903 D20 -0.05207 0.00095 0.00371 0.03197 0.03582 -0.01625 D21 -0.02035 -0.00180 0.00237 -0.06360 -0.06097 -0.08132 D22 -3.12227 -0.00062 -0.00098 -0.02348 -0.02431 3.13660 D23 -3.02152 -0.00106 -0.00952 -0.02036 -0.02966 -3.05119 D24 0.05902 -0.00154 -0.00416 -0.04798 -0.05202 0.00700 D25 0.03944 0.00124 -0.00407 0.04198 0.03827 0.07771 D26 3.11999 0.00076 0.00129 0.01436 0.01591 3.13590 D27 -3.09011 0.00023 -0.00419 0.01122 0.00696 -3.08315 D28 0.00417 0.00142 -0.00029 0.04542 0.04519 0.04936 D29 0.01181 -0.00095 -0.00084 -0.02887 -0.02964 -0.01783 D30 3.10608 0.00024 0.00306 0.00533 0.00860 3.11468 D31 -3.08661 0.00041 -0.00442 0.01165 0.00719 -3.07942 D32 -0.00786 -0.00024 0.00001 -0.00597 -0.00614 -0.01400 D33 0.00473 0.00169 -0.00025 0.04799 0.04781 0.05254 D34 3.08348 0.00104 0.00418 0.03037 0.03448 3.11797 D35 3.10757 -0.00062 0.00241 -0.02404 -0.02163 3.08594 D36 -0.06613 -0.00015 0.00496 -0.01579 -0.01076 -0.07689 D37 0.03238 -0.00037 -0.00225 -0.00696 -0.00932 0.02305 D38 -3.14132 0.00011 0.00030 0.00129 0.00154 -3.13978 D39 -0.04741 -0.00028 0.00426 -0.01258 -0.00827 -0.05568 D40 -3.12912 0.00079 -0.00095 0.01466 0.01410 -3.11502 D41 3.12731 -0.00071 0.00161 -0.02069 -0.01925 3.10805 D42 0.04559 0.00036 -0.00360 0.00655 0.00312 0.04871 D43 0.31906 0.00004 -0.02988 -0.01298 -0.04412 0.27495 D44 -2.85326 -0.00336 -0.02360 -0.29111 -0.31364 3.11628 D45 -2.88644 -0.00040 -0.02424 -0.04137 -0.06667 -2.95311 D46 0.22442 -0.00379 -0.01795 -0.31950 -0.33620 -0.11178 D47 -1.31389 -0.00296 0.02544 -0.21481 -0.18908 -1.50298 D48 1.85704 0.00033 0.01936 0.05080 0.06988 1.92692 Item Value Threshold Converged? Maximum Force 0.021972 0.000450 NO RMS Force 0.004432 0.000300 NO Maximum Displacement 0.446649 0.001800 NO RMS Displacement 0.093745 0.001200 NO Predicted change in Energy=-5.792086D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.936098 -5.027300 2.017549 2 6 0 7.203356 -4.855930 3.519341 3 8 0 6.651801 -6.361862 1.706066 4 8 0 2.816149 -1.763334 0.593675 5 6 0 3.627749 -2.607762 0.869588 6 7 0 4.966065 -2.271569 0.774644 7 6 0 6.080343 -2.998758 1.118552 8 8 0 7.190629 -2.508437 1.017614 9 7 0 5.813262 -4.231947 1.561885 10 6 0 4.484054 -4.725795 1.678163 11 6 0 3.391510 -3.997290 1.325510 12 1 0 7.796748 -4.700370 1.454786 13 1 0 8.243508 -5.073168 3.751740 14 1 0 7.000361 -3.839566 3.829882 15 1 0 5.148142 -1.340507 0.464682 16 1 0 4.379442 -5.720770 2.043257 17 7 0 2.157572 -4.494071 1.481531 18 1 0 6.569788 -5.527461 4.088908 19 1 0 7.403399 -6.894942 1.964857 20 8 0 1.080783 -3.838284 0.915764 21 8 0 1.965236 -5.761530 1.867008 22 1 0 0.803005 -3.170346 1.546998 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.534984 0.000000 3 O 1.399607 2.420745 0.000000 4 O 5.445629 6.113204 6.090657 0.000000 5 C 4.256425 4.986022 4.892632 1.203280 0.000000 6 N 3.608310 4.383806 4.521034 2.216572 1.383159 7 C 2.378129 3.236362 3.461532 3.529409 2.496012 8 O 2.722008 3.430674 3.951352 4.457688 3.567337 9 N 1.449474 2.480594 2.293572 4.001771 2.809576 10 C 2.493714 3.286560 2.715994 3.568501 2.423451 11 C 3.755521 4.481107 4.045432 2.420162 1.481372 12 H 1.079028 2.153764 2.033371 5.845858 4.701278 13 H 2.172290 1.087713 2.894658 7.098212 5.974132 14 H 2.167809 1.081961 3.315730 5.682554 4.653515 15 H 4.381852 5.090486 5.386653 2.373523 2.020267 16 H 2.649160 3.301705 2.385018 4.495162 3.410771 17 N 4.837971 5.453764 4.872079 2.946004 2.468615 18 H 2.162146 1.084790 2.526042 6.362006 5.248262 19 H 1.925937 2.571771 0.957103 7.018291 5.816791 20 O 6.075558 6.730536 6.166788 2.724088 2.829020 21 O 5.027049 5.566705 4.727599 4.281472 3.702033 22 H 6.425303 6.906216 6.664795 2.634626 2.958811 6 7 8 9 10 6 N 0.000000 7 C 1.374297 0.000000 8 O 2.250295 1.217924 0.000000 9 N 2.276088 1.337398 2.272413 0.000000 10 C 2.659306 2.417429 3.560695 1.422744 0.000000 11 C 2.400165 2.875712 4.092039 2.444549 1.359682 12 H 3.791363 2.440202 2.315830 2.040859 3.320314 13 H 5.239627 3.989504 3.893821 3.377753 4.307422 14 H 3.991423 2.984076 3.117204 2.589784 3.427405 15 H 0.998050 2.011551 2.416930 3.163332 3.657010 16 H 3.721625 3.340284 4.390193 2.122298 1.064994 17 N 3.650594 4.213769 5.430435 3.665956 2.346248 18 H 4.914988 3.931528 4.351183 2.938798 3.287042 19 H 5.360297 4.200829 4.492657 3.127693 3.648283 20 O 4.191650 5.073611 6.253726 4.792578 3.598775 21 O 4.730545 5.012704 6.213599 4.152110 2.729991 22 H 4.328440 5.297480 6.443610 5.121512 3.998343 11 12 13 14 15 11 C 0.000000 12 H 4.462863 0.000000 13 H 5.530460 2.369508 0.000000 14 H 4.395516 2.648829 1.753081 0.000000 15 H 3.299284 4.391366 5.858225 4.582640 0.000000 16 H 2.112239 3.614622 4.274261 3.687842 4.719057 17 N 1.339305 5.643012 6.521336 5.421784 4.463458 18 H 4.480986 3.021276 1.766750 1.761101 5.717226 19 H 4.990030 2.287147 2.686558 3.602232 6.179681 20 O 2.352156 6.792490 7.802072 6.597992 4.794348 21 O 2.332385 5.941591 6.591112 5.735791 5.625198 22 H 2.726399 7.159742 7.990163 6.638271 4.837347 16 17 18 19 20 16 H 0.000000 17 N 2.599430 0.000000 18 H 3.003277 5.228189 0.000000 19 H 3.244864 5.789343 2.660170 0.000000 20 O 3.961837 1.381891 6.561352 7.100650 0.000000 21 O 2.420974 1.338670 5.117960 5.555881 2.320775 22 H 4.420615 1.895095 6.728527 7.590284 0.960082 21 22 21 O 0.000000 22 H 2.857870 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.511781 -0.554086 -0.161498 2 6 0 3.028827 -0.815396 1.259965 3 8 0 2.420883 -1.745185 -0.890827 4 8 0 -2.330773 1.914869 0.168357 5 6 0 -1.340963 1.245297 0.027530 6 7 0 -0.130554 1.902373 -0.100108 7 6 0 1.142806 1.390467 -0.172212 8 8 0 2.104123 2.136507 -0.223515 9 7 0 1.196107 0.054139 -0.167759 10 6 0 0.027366 -0.752143 -0.077461 11 6 0 -1.226975 -0.231053 -0.015582 12 1 0 3.172871 0.130998 -0.669359 13 1 0 4.116125 -0.841663 1.274548 14 1 0 2.707848 -0.031629 1.933256 15 1 0 -0.184870 2.898703 -0.078193 16 1 0 0.178687 -1.806329 -0.080191 17 7 0 -2.295650 -1.030113 0.099194 18 1 0 2.650818 -1.764543 1.624654 19 1 0 3.292743 -2.138116 -0.929730 20 8 0 -3.562788 -0.503539 -0.064226 21 8 0 -2.175242 -2.361505 0.028941 22 1 0 -3.830227 -0.159901 0.791429 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0885696 0.5172762 0.3736689 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 948.7067066291 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 9.02D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999970 -0.005512 0.001045 -0.005290 Ang= -0.88 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.382971800 A.U. after 15 cycles NFock= 15 Conv=0.37D-08 -V/T= 2.0018 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.002267602 0.000793320 0.001349571 2 6 -0.001311836 -0.000761149 -0.001215832 3 8 0.012511640 -0.008157152 0.002180654 4 8 0.002381772 -0.002881731 0.003361432 5 6 -0.004585947 0.003903697 -0.001883635 6 7 0.002140746 -0.000680282 -0.000380615 7 6 0.001043007 0.000059766 -0.002309832 8 8 -0.000983590 -0.000034514 0.001114116 9 7 0.002218520 0.000537346 -0.000117475 10 6 -0.003736246 0.000899419 0.000910891 11 6 -0.000731569 -0.006749809 -0.004244022 12 1 -0.001087587 0.002621692 0.000651585 13 1 -0.000194703 -0.001920612 0.000197762 14 1 0.001537911 0.000863964 -0.000387747 15 1 -0.000341628 -0.001868960 0.000724444 16 1 -0.000097578 0.000912911 -0.002723316 17 7 -0.004146740 0.002777294 0.017726124 18 1 -0.001054180 0.001244709 -0.000248124 19 1 -0.009450484 0.005989536 -0.002891777 20 8 0.000332591 0.004397806 0.000310080 21 8 0.002378209 0.009164104 -0.004676793 22 1 0.005445294 -0.011111355 -0.007447492 ------------------------------------------------------------------- Cartesian Forces: Max 0.017726124 RMS 0.004344955 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.014202311 RMS 0.002728729 Search for a local minimum. Step number 5 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 4 5 DE= -4.36D-03 DEPred=-5.79D-03 R= 7.52D-01 TightC=F SS= 1.41D+00 RLast= 5.95D-01 DXNew= 1.4270D+00 1.7855D+00 Trust test= 7.52D-01 RLast= 5.95D-01 DXMaxT set to 1.43D+00 ITU= 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00237 0.00291 0.00458 0.00488 0.00593 Eigenvalues --- 0.01454 0.01460 0.01557 0.01739 0.01889 Eigenvalues --- 0.01943 0.02034 0.02152 0.02342 0.02609 Eigenvalues --- 0.05094 0.05292 0.05654 0.05681 0.08189 Eigenvalues --- 0.15686 0.15890 0.15973 0.16000 0.16001 Eigenvalues --- 0.16020 0.16107 0.18032 0.19969 0.22981 Eigenvalues --- 0.23775 0.24143 0.24501 0.24876 0.24974 Eigenvalues --- 0.24981 0.25060 0.29812 0.31925 0.33193 Eigenvalues --- 0.34168 0.34784 0.34842 0.34847 0.34864 Eigenvalues --- 0.34867 0.35589 0.39437 0.40838 0.42632 Eigenvalues --- 0.43386 0.44323 0.47345 0.49332 0.49919 Eigenvalues --- 0.51168 0.59105 0.67551 0.90820 0.97504 RFO step: Lambda=-1.02130299D-02 EMin= 2.36771508D-03 Quartic linear search produced a step of -0.00658. Iteration 1 RMS(Cart)= 0.08089974 RMS(Int)= 0.03375346 Iteration 2 RMS(Cart)= 0.06370682 RMS(Int)= 0.00840898 Iteration 3 RMS(Cart)= 0.00688990 RMS(Int)= 0.00691640 Iteration 4 RMS(Cart)= 0.00008114 RMS(Int)= 0.00691629 Iteration 5 RMS(Cart)= 0.00000178 RMS(Int)= 0.00691629 Iteration 6 RMS(Cart)= 0.00000006 RMS(Int)= 0.00691629 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90070 -0.00186 0.00002 -0.00704 -0.00702 2.89368 R2 2.64487 0.00160 0.00002 -0.00036 -0.00035 2.64453 R3 2.73911 -0.00150 -0.00006 0.00637 0.00631 2.74542 R4 2.03907 -0.00041 -0.00002 0.00196 0.00194 2.04101 R5 2.05548 0.00024 -0.00001 0.00168 0.00168 2.05716 R6 2.04461 0.00041 -0.00002 0.00428 0.00426 2.04886 R7 2.04996 -0.00029 -0.00001 0.00029 0.00029 2.05024 R8 1.80866 -0.01154 -0.00020 0.00723 0.00703 1.81569 R9 2.27387 -0.00440 -0.00004 0.00212 0.00207 2.27594 R10 2.61379 0.00120 0.00004 -0.00470 -0.00467 2.60912 R11 2.79939 -0.00061 0.00001 -0.00495 -0.00493 2.79445 R12 2.59704 -0.00108 -0.00004 0.00553 0.00544 2.60249 R13 1.88604 -0.00203 -0.00007 0.00768 0.00761 1.89365 R14 2.30154 -0.00100 -0.00000 -0.00008 -0.00008 2.30146 R15 2.52732 -0.00098 -0.00005 0.00671 0.00665 2.53396 R16 2.68860 0.00119 0.00005 -0.00520 -0.00512 2.68347 R17 2.56943 -0.00376 0.00009 -0.01909 -0.01896 2.55046 R18 2.01255 -0.00178 -0.00009 0.01057 0.01048 2.02302 R19 2.53092 -0.00494 0.00008 -0.03819 -0.03811 2.49281 R20 2.61140 -0.00477 -0.00022 0.02234 0.02212 2.63352 R21 2.52972 -0.01037 -0.00039 0.03801 0.03762 2.56734 R22 1.81429 -0.01420 -0.00025 0.01020 0.00996 1.82425 A1 1.93859 -0.00068 0.00008 -0.01443 -0.01435 1.92424 A2 1.96187 -0.00127 -0.00005 0.00506 0.00486 1.96673 A3 1.91513 0.00061 -0.00008 0.01238 0.01215 1.92728 A4 1.87120 0.00206 0.00012 -0.00819 -0.00808 1.86312 A5 1.91224 -0.00030 0.00003 -0.00800 -0.00788 1.90437 A6 1.86258 -0.00039 -0.00010 0.01347 0.01322 1.87580 A7 1.93183 -0.00015 -0.00001 0.00112 0.00111 1.93294 A8 1.93159 -0.00012 -0.00001 0.00175 0.00174 1.93333 A9 1.92079 -0.00024 0.00000 -0.00260 -0.00259 1.91820 A10 1.88147 0.00021 -0.00000 0.00232 0.00231 1.88378 A11 1.89937 0.00010 0.00002 -0.00406 -0.00405 1.89533 A12 1.89783 0.00023 -0.00000 0.00148 0.00148 1.89931 A13 1.88746 0.00085 0.00002 0.00105 0.00107 1.88853 A14 2.05591 0.00131 -0.00002 0.00935 0.00936 2.06527 A15 2.24116 -0.00047 -0.00001 -0.00447 -0.00446 2.23670 A16 1.98605 -0.00086 0.00001 -0.00475 -0.00483 1.98122 A17 2.26363 0.00079 0.00008 -0.01052 -0.01080 2.25283 A18 2.00930 -0.00038 -0.00004 0.00485 0.00458 2.01387 A19 2.00801 -0.00045 -0.00003 0.00301 0.00278 2.01079 A20 2.10062 0.00046 0.00001 -0.00119 -0.00117 2.09945 A21 1.99209 -0.00090 -0.00004 0.00475 0.00456 1.99665 A22 2.19044 0.00043 0.00002 -0.00342 -0.00338 2.18706 A23 2.04370 0.00037 -0.00013 0.02224 0.02202 2.06572 A24 2.10315 -0.00041 0.00014 -0.02409 -0.02399 2.07916 A25 2.13380 0.00000 -0.00001 0.00024 0.00012 2.13392 A26 2.14543 0.00060 0.00007 -0.01062 -0.01053 2.13490 A27 2.03094 0.00010 0.00002 -0.00210 -0.00209 2.02885 A28 2.10662 -0.00071 -0.00009 0.01274 0.01264 2.11926 A29 2.04233 0.00038 -0.00010 0.01848 0.01824 2.06058 A30 2.13023 -0.00100 0.00008 -0.02230 -0.02229 2.10794 A31 2.10756 0.00059 0.00003 0.00175 0.00163 2.10920 A32 2.08770 -0.00257 0.00029 -0.08646 -0.12031 1.96739 A33 2.11427 -0.00041 0.00002 -0.03015 -0.06757 2.04670 A34 2.04345 0.00081 -0.00006 -0.01292 -0.05597 1.98748 A35 1.86128 -0.00454 0.00014 -0.04109 -0.04095 1.82034 D1 1.48403 -0.00177 0.00040 -0.09355 -0.09317 1.39085 D2 -2.71430 -0.00168 0.00038 -0.08880 -0.08843 -2.80274 D3 -0.61617 -0.00164 0.00037 -0.08751 -0.08716 -0.70333 D4 -2.70259 -0.00047 0.00058 -0.11068 -0.11013 -2.81272 D5 -0.61773 -0.00038 0.00056 -0.10592 -0.10539 -0.72312 D6 1.48040 -0.00034 0.00055 -0.10464 -0.10412 1.37628 D7 -0.63294 -0.00136 0.00037 -0.08237 -0.08195 -0.71489 D8 1.45192 -0.00127 0.00035 -0.07761 -0.07721 1.37471 D9 -2.73314 -0.00123 0.00034 -0.07633 -0.07594 -2.80907 D10 -1.03715 -0.00001 -0.00002 0.01057 0.01057 -1.02658 D11 3.09644 0.00062 -0.00009 0.01870 0.01855 3.11499 D12 1.08150 0.00011 -0.00005 0.01136 0.01134 1.09284 D13 1.58658 0.00087 -0.00047 0.09144 0.09101 1.67759 D14 -1.48026 0.00133 -0.00055 0.11500 0.11450 -1.36576 D15 -2.56144 0.00064 -0.00032 0.07098 0.07066 -2.49079 D16 0.65490 0.00109 -0.00040 0.09454 0.09415 0.74905 D17 -0.51371 0.00112 -0.00027 0.06441 0.06408 -0.44962 D18 2.70264 0.00158 -0.00035 0.08797 0.08758 2.79022 D19 3.04903 -0.00143 0.00001 -0.03689 -0.03665 3.01237 D20 -0.01625 -0.00078 -0.00024 0.00814 0.00809 -0.00815 D21 -0.08132 0.00003 0.00040 -0.04777 -0.04724 -0.12856 D22 3.13660 0.00068 0.00016 -0.00273 -0.00250 3.13410 D23 -3.05119 0.00128 0.00020 0.01182 0.01219 -3.03900 D24 0.00700 0.00087 0.00034 -0.01616 -0.01562 -0.00861 D25 0.07771 -0.00035 -0.00025 0.02420 0.02415 0.10186 D26 3.13590 -0.00077 -0.00010 -0.00378 -0.00365 3.13224 D27 -3.08315 0.00085 -0.00005 0.02418 0.02417 -3.05897 D28 0.04936 0.00021 -0.00030 0.04057 0.04034 0.08970 D29 -0.01783 0.00020 0.00020 -0.02076 -0.02044 -0.03827 D30 3.11468 -0.00044 -0.00006 -0.00437 -0.00428 3.11040 D31 -3.07942 0.00038 -0.00005 0.01686 0.01705 -3.06238 D32 -0.01400 -0.00010 0.00004 -0.00825 -0.00830 -0.02229 D33 0.05254 -0.00030 -0.00031 0.03424 0.03416 0.08670 D34 3.11797 -0.00078 -0.00023 0.00914 0.00882 3.12679 D35 3.08594 -0.00065 0.00014 -0.03459 -0.03424 3.05171 D36 -0.07689 -0.00110 0.00007 -0.03335 -0.03300 -0.10989 D37 0.02305 -0.00019 0.00006 -0.01067 -0.01068 0.01238 D38 -3.13978 -0.00064 -0.00001 -0.00943 -0.00944 3.13397 D39 -0.05568 0.00039 0.00005 0.00149 0.00159 -0.05409 D40 -3.11502 0.00088 -0.00009 0.03032 0.03063 -3.08439 D41 3.10805 0.00084 0.00013 0.00039 0.00048 3.10853 D42 0.04871 0.00133 -0.00002 0.02922 0.02952 0.07823 D43 0.27495 0.00804 0.00029 0.42672 0.41645 0.69139 D44 3.11628 -0.00027 0.00206 -0.07766 -0.06532 3.05096 D45 -2.95311 0.00760 0.00044 0.39843 0.38859 -2.56452 D46 -0.11178 -0.00071 0.00221 -0.10594 -0.09317 -0.20495 D47 -1.50298 -0.00475 0.00124 -0.31740 -0.30690 -1.80987 D48 1.92692 0.00340 -0.00046 0.16915 0.15943 2.08635 Item Value Threshold Converged? Maximum Force 0.014202 0.000450 NO RMS Force 0.002729 0.000300 NO Maximum Displacement 0.628763 0.001800 NO RMS Displacement 0.124241 0.001200 NO Predicted change in Energy=-6.792737D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.936300 -5.010322 2.002803 2 6 0 7.163293 -4.910079 3.513833 3 8 0 6.654600 -6.332756 1.641977 4 8 0 2.781330 -1.727421 0.729149 5 6 0 3.612232 -2.569105 0.956506 6 7 0 4.940072 -2.251284 0.751262 7 6 0 6.065681 -2.980285 1.064593 8 8 0 7.173480 -2.506133 0.887978 9 7 0 5.815173 -4.204907 1.549983 10 6 0 4.493936 -4.686810 1.746436 11 6 0 3.404557 -3.949479 1.444533 12 1 0 7.812723 -4.676615 1.467041 13 1 0 8.168801 -5.235198 3.775181 14 1 0 7.044271 -3.887357 3.853525 15 1 0 5.112585 -1.323672 0.413725 16 1 0 4.405294 -5.681453 2.132285 17 7 0 2.191091 -4.400303 1.698275 18 1 0 6.449755 -5.537974 4.037004 19 1 0 7.395831 -6.881720 1.911043 20 8 0 1.251558 -3.973789 0.761538 21 8 0 2.072324 -5.710073 2.039060 22 1 0 0.764113 -3.274267 1.214271 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531269 0.000000 3 O 1.399422 2.405540 0.000000 4 O 5.446413 6.089777 6.086427 0.000000 5 C 4.254845 4.962874 4.887837 1.204376 0.000000 6 N 3.628163 4.432121 4.515683 2.221506 1.380687 7 C 2.399847 3.305697 3.452428 3.531169 2.490013 8 O 2.751373 3.560081 3.934564 4.463474 3.562464 9 N 1.452814 2.484231 2.289289 4.001988 2.807314 10 C 2.477000 3.209207 2.718184 3.567335 2.426122 11 C 3.729647 4.396914 4.035068 2.416140 1.478761 12 H 1.080055 2.160005 2.028461 5.878533 4.727195 13 H 2.170472 1.088601 2.836899 7.113906 5.984589 14 H 2.167458 1.084213 3.320055 5.709616 4.680747 15 H 4.409364 5.165113 5.383060 2.386892 2.024048 16 H 2.621674 3.179662 2.392484 4.498935 3.420251 17 N 4.793941 5.317792 4.864202 2.903771 2.433752 18 H 2.157108 1.084941 2.531757 6.238555 5.133731 19 H 1.929176 2.551544 0.960823 7.018354 5.815962 20 O 5.910282 6.587896 5.960937 2.717981 2.753894 21 O 4.914186 5.360308 4.641408 4.252067 3.661819 22 H 6.459997 6.993809 6.650950 2.587902 2.945416 6 7 8 9 10 6 N 0.000000 7 C 1.377176 0.000000 8 O 2.252054 1.217880 0.000000 9 N 2.284818 1.340916 2.273561 0.000000 10 C 2.668556 2.418165 3.559812 1.420032 0.000000 11 C 2.392133 2.857494 4.074038 2.426403 1.349647 12 H 3.827100 2.468128 2.335581 2.054166 3.330543 13 H 5.335964 4.105488 4.095656 3.398908 4.233340 14 H 4.090039 3.091691 3.273979 2.630176 3.403404 15 H 1.002076 2.019007 2.422895 3.175881 3.670087 16 H 3.736210 3.345617 4.392472 2.122975 1.070538 17 N 3.615524 4.174979 5.391536 3.632374 2.321099 18 H 4.886469 3.940116 4.430824 2.892238 3.129922 19 H 5.368126 4.207965 4.499096 3.129565 3.642214 20 O 4.070905 4.924903 6.102390 4.636986 3.462865 21 O 4.673930 4.934392 6.132863 4.063697 2.645165 22 H 4.324292 5.311822 6.463473 5.147037 4.023686 11 12 13 14 15 11 C 0.000000 12 H 4.467792 0.000000 13 H 5.457382 2.401315 0.000000 14 H 4.365160 2.628450 1.757095 0.000000 15 H 3.297694 4.431981 5.994988 4.704903 0.000000 16 H 2.115233 3.614253 4.130646 3.625692 4.737505 17 N 1.319139 5.633167 6.383071 5.334938 4.432928 18 H 4.303192 3.033864 1.765033 1.763987 5.716338 19 H 4.974529 2.287668 2.604520 3.586508 6.192501 20 O 2.258866 6.636308 7.649931 6.566839 4.695915 21 O 2.286481 5.860667 6.356622 5.597752 5.579015 22 H 2.735119 7.191202 8.076689 6.839731 4.832690 16 17 18 19 20 16 H 0.000000 17 N 2.594688 0.000000 18 H 2.797921 4.990007 0.000000 19 H 3.230000 5.769924 2.687084 0.000000 20 O 3.839416 1.393597 6.340079 6.894165 0.000000 21 O 2.335007 1.358579 4.814904 5.452419 2.306600 22 H 4.460436 1.881086 6.739341 7.581484 0.965350 21 22 21 O 0.000000 22 H 2.885281 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.501905 -0.504339 -0.157795 2 6 0 2.975611 -0.871008 1.251440 3 8 0 2.430871 -1.649972 -0.958334 4 8 0 -2.389279 1.847877 0.296976 5 6 0 -1.378907 1.219171 0.111508 6 7 0 -0.202184 1.913605 -0.086935 7 6 0 1.084853 1.432350 -0.179367 8 8 0 2.023579 2.202742 -0.271672 9 7 0 1.178397 0.094769 -0.165847 10 6 0 0.039415 -0.743534 -0.037557 11 6 0 -1.212343 -0.249444 0.065037 12 1 0 3.180717 0.202634 -0.611581 13 1 0 4.056384 -0.999384 1.273804 14 1 0 2.717358 -0.091126 1.958974 15 1 0 -0.284143 2.912138 -0.067724 16 1 0 0.224378 -1.797943 -0.045388 17 7 0 -2.243406 -1.051804 0.247400 18 1 0 2.510421 -1.798700 1.567799 19 1 0 3.303690 -2.050644 -0.987132 20 8 0 -3.404152 -0.584721 -0.366290 21 8 0 -2.032298 -2.383771 0.082976 22 1 0 -3.931428 -0.229388 0.360085 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0734825 0.5340728 0.3836621 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 953.0314050095 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 9.25D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999907 -0.007988 0.001545 -0.010945 Ang= -1.56 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.394062934 A.U. after 17 cycles NFock= 17 Conv=0.50D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.001728750 0.000236014 -0.000546402 2 6 -0.001425445 0.002184541 -0.000130381 3 8 0.014845201 -0.012051131 0.001804482 4 8 0.005457936 -0.003533488 0.004277104 5 6 -0.007890408 0.002146962 -0.002679130 6 7 0.008606423 0.002118019 0.000144801 7 6 0.003756538 0.005874374 -0.008231287 8 8 -0.004708808 -0.002117522 0.003212290 9 7 0.002572980 -0.004938036 0.007027282 10 6 0.000180571 0.005096004 -0.003059943 11 6 0.047764699 0.002286268 -0.011175897 12 1 -0.002600287 0.004667623 0.001394224 13 1 -0.000629439 -0.001270246 -0.000524490 14 1 0.001670819 -0.000351938 -0.000432889 15 1 -0.000200313 -0.005511055 0.002135983 16 1 -0.002096174 0.005111156 -0.004329401 17 7 -0.051146303 -0.019764655 0.034397068 18 1 -0.000697666 0.001709203 -0.000384079 19 1 -0.012412443 0.008200481 -0.004143351 20 8 -0.014980527 0.011017365 -0.000721855 21 8 0.004324188 0.014870370 -0.007623407 22 1 0.011337209 -0.015980308 -0.010410722 ------------------------------------------------------------------- Cartesian Forces: Max 0.051146303 RMS 0.011652393 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.052800189 RMS 0.006653803 Search for a local minimum. Step number 6 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 5 6 DE= -1.11D-02 DEPred=-6.79D-03 R= 1.63D+00 TightC=F SS= 1.41D+00 RLast= 7.91D-01 DXNew= 2.4000D+00 2.3731D+00 Trust test= 1.63D+00 RLast= 7.91D-01 DXMaxT set to 2.37D+00 ITU= 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00064 0.00248 0.00467 0.00544 0.00998 Eigenvalues --- 0.01457 0.01486 0.01611 0.01795 0.01883 Eigenvalues --- 0.01949 0.02036 0.02095 0.02387 0.02612 Eigenvalues --- 0.05023 0.05398 0.05638 0.05698 0.08279 Eigenvalues --- 0.15677 0.15926 0.15947 0.16000 0.16001 Eigenvalues --- 0.16057 0.16108 0.18033 0.19785 0.21792 Eigenvalues --- 0.22992 0.23843 0.24433 0.24756 0.24958 Eigenvalues --- 0.24982 0.25494 0.29807 0.32353 0.33190 Eigenvalues --- 0.33887 0.34813 0.34845 0.34848 0.34861 Eigenvalues --- 0.34900 0.35424 0.39899 0.42565 0.42722 Eigenvalues --- 0.43724 0.45427 0.47244 0.48505 0.49668 Eigenvalues --- 0.51421 0.59637 0.90192 0.97182 3.29854 RFO step: Lambda=-6.13293712D-03 EMin= 6.43283277D-04 Quartic linear search produced a step of 0.49801. Iteration 1 RMS(Cart)= 0.08408450 RMS(Int)= 0.03674786 Iteration 2 RMS(Cart)= 0.06648599 RMS(Int)= 0.01530641 Iteration 3 RMS(Cart)= 0.01155125 RMS(Int)= 0.01393349 Iteration 4 RMS(Cart)= 0.00033807 RMS(Int)= 0.01393279 Iteration 5 RMS(Cart)= 0.00001432 RMS(Int)= 0.01393278 Iteration 6 RMS(Cart)= 0.00000160 RMS(Int)= 0.01393278 Iteration 7 RMS(Cart)= 0.00000012 RMS(Int)= 0.01393278 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89368 -0.00146 -0.00350 -0.01001 -0.01350 2.88018 R2 2.64453 0.00375 -0.00017 0.00405 0.00388 2.64840 R3 2.74542 -0.00506 0.00314 -0.00314 0.00001 2.74543 R4 2.04101 -0.00136 0.00097 -0.00062 0.00035 2.04135 R5 2.05716 -0.00033 0.00084 0.00140 0.00224 2.05939 R6 2.04886 -0.00065 0.00212 0.00299 0.00511 2.05398 R7 2.05024 -0.00072 0.00014 -0.00090 -0.00076 2.04948 R8 1.81569 -0.01542 0.00350 -0.02845 -0.02495 1.79075 R9 2.27594 -0.00704 0.00103 -0.00512 -0.00409 2.27186 R10 2.60912 0.00531 -0.00233 0.00187 -0.00035 2.60877 R11 2.79445 0.00026 -0.00246 -0.00502 -0.00738 2.78707 R12 2.60249 -0.00598 0.00271 -0.00071 0.00199 2.60447 R13 1.89365 -0.00586 0.00379 -0.00236 0.00142 1.89507 R14 2.30146 -0.00557 -0.00004 -0.00191 -0.00195 2.29951 R15 2.53396 0.00010 0.00331 0.00232 0.00551 2.53948 R16 2.68347 0.00059 -0.00255 0.00013 -0.00252 2.68095 R17 2.55046 -0.00522 -0.00944 -0.01837 -0.02780 2.52266 R18 2.02302 -0.00614 0.00522 -0.00156 0.00366 2.02668 R19 2.49281 0.05280 -0.01898 -0.00256 -0.02154 2.47127 R20 2.63352 0.00842 0.01102 0.00733 0.01835 2.65187 R21 2.56734 -0.01663 0.01874 -0.01462 0.00412 2.57146 R22 1.82425 -0.02219 0.00496 -0.03517 -0.03021 1.79403 A1 1.92424 0.00148 -0.00715 -0.00478 -0.01192 1.91232 A2 1.96673 -0.00285 0.00242 -0.00352 -0.00117 1.96556 A3 1.92728 0.00031 0.00605 0.00179 0.00774 1.93502 A4 1.86312 0.00229 -0.00402 0.01367 0.00964 1.87276 A5 1.90437 -0.00016 -0.00392 -0.00193 -0.00580 1.89856 A6 1.87580 -0.00102 0.00658 -0.00490 0.00161 1.87741 A7 1.93294 -0.00089 0.00055 -0.00110 -0.00055 1.93238 A8 1.93333 0.00019 0.00087 0.00010 0.00096 1.93429 A9 1.91820 -0.00001 -0.00129 -0.00241 -0.00371 1.91449 A10 1.88378 0.00023 0.00115 0.00253 0.00367 1.88745 A11 1.89533 0.00050 -0.00201 -0.00125 -0.00328 1.89204 A12 1.89931 0.00001 0.00074 0.00225 0.00299 1.90230 A13 1.88853 0.00121 0.00053 0.00755 0.00808 1.89662 A14 2.06527 -0.00117 0.00466 0.01107 0.01499 2.08026 A15 2.23670 0.00002 -0.00222 -0.00757 -0.01050 2.22620 A16 1.98122 0.00115 -0.00241 -0.00354 -0.00616 1.97506 A17 2.25283 0.00125 -0.00538 -0.00140 -0.00702 2.24582 A18 2.01387 0.00014 0.00228 0.00084 0.00256 2.01644 A19 2.01079 -0.00146 0.00138 -0.00192 -0.00108 2.00971 A20 2.09945 0.00211 -0.00058 0.00167 0.00097 2.10042 A21 1.99665 -0.00207 0.00227 -0.00093 0.00125 1.99790 A22 2.18706 -0.00003 -0.00168 -0.00052 -0.00232 2.18474 A23 2.06572 -0.00408 0.01096 0.01207 0.02281 2.08852 A24 2.07916 0.00453 -0.01195 -0.01241 -0.02443 2.05473 A25 2.13392 -0.00047 0.00006 -0.00124 -0.00140 2.13251 A26 2.13490 0.00499 -0.00524 -0.00067 -0.00584 2.12906 A27 2.02885 0.00016 -0.00104 0.00103 -0.00004 2.02881 A28 2.11926 -0.00515 0.00629 -0.00047 0.00577 2.12503 A29 2.06058 -0.00479 0.00909 0.00825 0.01727 2.07785 A30 2.10794 0.00089 -0.01110 -0.02142 -0.03283 2.07511 A31 2.10920 0.00379 0.00081 0.01066 0.01099 2.12019 A32 1.96739 -0.00077 -0.05992 -0.10694 -0.20766 1.75973 A33 2.04670 -0.00535 -0.03365 -0.06661 -0.16275 1.88396 A34 1.98748 -0.00204 -0.02788 -0.05642 -0.16984 1.81763 A35 1.82034 -0.00011 -0.02039 -0.04186 -0.06226 1.75808 D1 1.39085 -0.00130 -0.04640 -0.02486 -0.07128 1.31957 D2 -2.80274 -0.00147 -0.04404 -0.02234 -0.06640 -2.86914 D3 -0.70333 -0.00135 -0.04341 -0.02104 -0.06447 -0.76781 D4 -2.81272 0.00075 -0.05485 -0.01312 -0.06798 -2.88071 D5 -0.72312 0.00058 -0.05249 -0.01061 -0.06311 -0.78623 D6 1.37628 0.00070 -0.05185 -0.00931 -0.06118 1.31510 D7 -0.71489 -0.00226 -0.04081 -0.02050 -0.06127 -0.77616 D8 1.37471 -0.00243 -0.03845 -0.01798 -0.05640 1.31832 D9 -2.80907 -0.00231 -0.03782 -0.01668 -0.05447 -2.86354 D10 -1.02658 -0.00051 0.00527 0.01099 0.01622 -1.01036 D11 3.11499 0.00063 0.00924 0.00950 0.01871 3.13370 D12 1.09284 0.00070 0.00565 0.00895 0.01466 1.10750 D13 1.67759 -0.00030 0.04532 0.01174 0.05704 1.73463 D14 -1.36576 -0.00008 0.05702 0.02941 0.08650 -1.27926 D15 -2.49079 0.00135 0.03519 0.01284 0.04798 -2.44281 D16 0.74905 0.00157 0.04689 0.03052 0.07744 0.82649 D17 -0.44962 0.00181 0.03191 0.01508 0.04695 -0.40267 D18 2.79022 0.00203 0.04362 0.03276 0.07641 2.86663 D19 3.01237 -0.00215 -0.01825 -0.06089 -0.07935 2.93302 D20 -0.00815 -0.00137 0.00403 -0.03453 -0.03065 -0.03880 D21 -0.12856 0.00025 -0.02353 0.00076 -0.02265 -0.15121 D22 3.13410 0.00103 -0.00125 0.02713 0.02605 -3.12304 D23 -3.03900 0.00179 0.00607 0.05952 0.06520 -2.97380 D24 -0.00861 0.00092 -0.00778 0.03474 0.02698 0.01837 D25 0.10186 -0.00090 0.01203 -0.00948 0.00277 0.10463 D26 3.13224 -0.00177 -0.00182 -0.03426 -0.03545 3.09680 D27 -3.05897 0.00127 0.01204 0.03475 0.04689 -3.01208 D28 0.08970 -0.00041 0.02009 0.00333 0.02332 0.11302 D29 -0.03827 0.00058 -0.01018 0.00858 -0.00145 -0.03971 D30 3.11040 -0.00110 -0.00213 -0.02283 -0.02502 3.08538 D31 -3.06238 0.00053 0.00849 0.02080 0.02986 -3.03251 D32 -0.02229 0.00058 -0.00413 0.00190 -0.00223 -0.02452 D33 0.08670 -0.00126 0.01701 -0.01246 0.00496 0.09166 D34 3.12679 -0.00120 0.00439 -0.03135 -0.02713 3.09966 D35 3.05171 -0.00131 -0.01705 -0.02939 -0.04587 3.00584 D36 -0.10989 -0.00099 -0.01643 -0.03529 -0.05116 -0.16104 D37 0.01238 -0.00088 -0.00532 -0.01174 -0.01700 -0.00462 D38 3.13397 -0.00056 -0.00470 -0.01763 -0.02228 3.11169 D39 -0.05409 0.00099 0.00079 0.01505 0.01574 -0.03835 D40 -3.08439 0.00206 0.01525 0.04199 0.05788 -3.02651 D41 3.10853 0.00059 0.00024 0.02123 0.02139 3.12992 D42 0.07823 0.00166 0.01470 0.04816 0.06352 0.14175 D43 0.69139 0.00967 0.20739 0.24960 0.42303 1.11442 D44 3.05096 -0.00040 -0.03253 -0.03715 -0.03642 3.01454 D45 -2.56452 0.00822 0.19352 0.22389 0.38416 -2.18036 D46 -0.20495 -0.00185 -0.04640 -0.06286 -0.07530 -0.28025 D47 -1.80987 -0.00550 -0.15284 -0.12488 -0.23918 -2.04905 D48 2.08635 0.00578 0.07940 0.15537 0.19622 2.28257 Item Value Threshold Converged? Maximum Force 0.052800 0.000450 NO RMS Force 0.006654 0.000300 NO Maximum Displacement 0.621078 0.001800 NO RMS Displacement 0.142407 0.001200 NO Predicted change in Energy=-1.065418D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.903304 -5.008417 1.979342 2 6 0 7.096428 -4.945958 3.489889 3 8 0 6.625958 -6.327529 1.595734 4 8 0 2.767571 -1.654240 0.910561 5 6 0 3.598651 -2.514585 1.030692 6 7 0 4.915233 -2.225166 0.732990 7 6 0 6.043375 -2.968420 1.005719 8 8 0 7.149391 -2.507335 0.793936 9 7 0 5.797466 -4.184131 1.522886 10 6 0 4.480637 -4.639384 1.790110 11 6 0 3.407966 -3.882702 1.547501 12 1 0 7.792365 -4.675910 1.463663 13 1 0 8.069191 -5.348758 3.771163 14 1 0 7.039429 -3.920159 3.844682 15 1 0 5.087864 -1.297262 0.394080 16 1 0 4.392659 -5.636105 2.176123 17 7 0 2.210125 -4.258685 1.913562 18 1 0 6.327827 -5.532590 3.981155 19 1 0 7.340330 -6.882227 1.878528 20 8 0 1.526761 -4.189700 0.689827 21 8 0 2.255923 -5.589391 2.194247 22 1 0 0.880545 -3.522346 0.885610 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524123 0.000000 3 O 1.401475 2.391214 0.000000 4 O 5.431123 6.018916 6.098873 0.000000 5 C 4.247337 4.918707 4.901266 1.202214 0.000000 6 N 3.640372 4.445314 4.527725 2.229337 1.380500 7 C 2.418473 3.345247 3.459934 3.530866 2.486618 8 O 2.778697 3.635636 3.938368 4.465616 3.558632 9 N 1.452817 2.477253 2.299101 3.994441 2.804359 10 C 2.457908 3.134581 2.736790 3.552364 2.422682 11 C 3.697446 4.302109 4.041656 2.404546 1.474855 12 H 1.080238 2.159363 2.026276 5.889394 4.737724 13 H 2.164658 1.089785 2.788082 7.066802 5.960575 14 H 2.163869 1.086917 3.320264 5.656167 4.661881 15 H 4.425105 5.189542 5.395674 2.403736 2.026057 16 H 2.595391 3.084259 2.408848 4.483058 3.418530 17 N 4.753142 5.180069 4.886790 2.846030 2.397779 18 H 2.147833 1.084540 2.532003 6.094716 5.026131 19 H 1.926738 2.530833 0.947623 7.012770 5.813372 20 O 5.589308 6.279607 5.602927 2.831412 2.686061 21 O 4.688482 5.052047 4.472166 4.170737 3.551226 22 H 6.299070 6.888116 6.432970 2.655429 2.902538 6 7 8 9 10 6 N 0.000000 7 C 1.378227 0.000000 8 O 2.252730 1.216849 0.000000 9 N 2.289064 1.343833 2.273920 0.000000 10 C 2.671110 2.418583 3.558124 1.418698 0.000000 11 C 2.383843 2.841623 4.056816 2.408563 1.334935 12 H 3.849404 2.486805 2.358954 2.055474 3.327979 13 H 5.379105 4.173443 4.217060 3.401741 4.159988 14 H 4.131324 3.155573 3.363809 2.646297 3.359459 15 H 1.002830 2.019869 2.423645 3.179898 3.672521 16 H 3.740350 3.348321 4.393087 2.123307 1.072473 17 N 3.584209 4.145210 5.358837 3.609321 2.305515 18 H 4.846137 3.938159 4.470514 2.853543 3.001766 19 H 5.374158 4.214472 4.511372 3.128360 3.635382 20 O 3.917014 4.689469 5.869852 4.351200 3.184057 21 O 4.530476 4.756772 5.950291 3.868851 2.452588 22 H 4.240834 5.193849 6.351147 5.002019 3.876410 11 12 13 14 15 11 C 0.000000 12 H 4.456361 0.000000 13 H 5.368520 2.419486 0.000000 14 H 4.297204 2.609085 1.762586 0.000000 15 H 3.291950 4.457981 6.058682 4.753404 0.000000 16 H 2.106942 3.603828 4.017911 3.568466 4.741787 17 N 1.307741 5.615860 6.242403 5.212101 4.400026 18 H 4.143716 3.035875 1.763587 1.767749 5.687057 19 H 4.956835 2.290041 2.542604 3.567934 6.202340 20 O 2.090164 6.331904 7.324031 6.357300 4.597295 21 O 2.158302 5.658656 6.028155 5.328433 5.448198 22 H 2.637387 7.031223 7.958569 6.844429 4.784781 16 17 18 19 20 16 H 0.000000 17 N 2.594162 0.000000 18 H 2.648345 4.780506 0.000000 19 H 3.214055 5.762222 2.695872 0.000000 20 O 3.537588 1.403307 5.973811 6.516156 0.000000 21 O 2.137323 1.360758 4.447096 5.255692 2.180388 22 H 4.297481 1.834846 6.579996 7.348708 0.949362 21 22 21 O 0.000000 22 H 2.806577 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.463185 -0.453923 -0.146604 2 6 0 2.886639 -0.870976 1.256858 3 8 0 2.439037 -1.578102 -0.983126 4 8 0 -2.456415 1.773777 0.429571 5 6 0 -1.440462 1.192307 0.155616 6 7 0 -0.295800 1.920547 -0.099715 7 6 0 1.003208 1.473146 -0.208903 8 8 0 1.920680 2.266686 -0.305144 9 7 0 1.136006 0.136258 -0.177556 10 6 0 0.024454 -0.729890 -0.013413 11 6 0 -1.219471 -0.265572 0.124831 12 1 0 3.151698 0.270237 -0.557039 13 1 0 3.959254 -1.059684 1.295817 14 1 0 2.653586 -0.092125 1.978291 15 1 0 -0.402247 2.917301 -0.071121 16 1 0 0.235858 -1.781180 -0.030598 17 7 0 -2.218837 -1.062187 0.402068 18 1 0 2.368386 -1.780703 1.539769 19 1 0 3.299522 -1.975031 -0.982719 20 8 0 -3.094518 -0.763484 -0.653029 21 8 0 -1.819441 -2.338637 0.151434 22 1 0 -3.835696 -0.413612 -0.173934 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0576852 0.5637093 0.4024615 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 962.9551507977 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.71D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999870 -0.002155 0.003909 -0.015494 Ang= -1.85 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.387903971 A.U. after 16 cycles NFock= 16 Conv=0.76D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.002158325 -0.000914566 -0.004429397 2 6 -0.000479086 0.004624563 0.003168270 3 8 0.001281561 -0.002105687 -0.004253831 4 8 0.002476693 -0.002954509 -0.003315454 5 6 -0.002810993 -0.001939356 0.010114050 6 7 0.011916638 0.004249377 -0.004408587 7 6 0.004954874 0.012470422 -0.006635843 8 8 -0.006512819 -0.004628605 0.002365326 9 7 -0.002417906 -0.014125108 0.006069782 10 6 0.009993227 0.008253418 -0.006090301 11 6 0.102733521 0.036061012 -0.003764631 12 1 -0.002428430 0.005321605 0.001756601 13 1 -0.001192555 -0.000332741 -0.000877766 14 1 0.001706458 -0.002210688 -0.000481836 15 1 0.000541490 -0.006013827 0.002330312 16 1 -0.002615315 0.008915017 -0.001963740 17 7 -0.066741515 -0.066020547 0.013090992 18 1 -0.000517824 0.001977300 0.000137389 19 1 -0.001197390 0.000691397 0.000065555 20 8 -0.040155776 0.023360060 -0.017405966 21 8 -0.008692392 -0.002074505 0.024793974 22 1 -0.002000786 -0.002604031 -0.010264902 ------------------------------------------------------------------- Cartesian Forces: Max 0.102733521 RMS 0.019637642 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.124177737 RMS 0.014760965 Search for a local minimum. Step number 7 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 7 6 DE= 6.16D-03 DEPred=-1.07D-02 R=-5.78D-01 Trust test=-5.78D-01 RLast= 7.97D-01 DXMaxT set to 1.19D+00 ITU= -1 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00247 0.00304 0.00475 0.00620 0.01454 Eigenvalues --- 0.01485 0.01650 0.01757 0.01901 0.01963 Eigenvalues --- 0.02043 0.02124 0.02404 0.02614 0.04972 Eigenvalues --- 0.05445 0.05629 0.05729 0.08270 0.09932 Eigenvalues --- 0.15717 0.15857 0.15949 0.16000 0.16001 Eigenvalues --- 0.16043 0.16107 0.17830 0.18594 0.19749 Eigenvalues --- 0.22901 0.23677 0.24057 0.24690 0.24855 Eigenvalues --- 0.25010 0.25353 0.29850 0.32921 0.33162 Eigenvalues --- 0.34351 0.34808 0.34846 0.34849 0.34867 Eigenvalues --- 0.35060 0.35759 0.40016 0.42361 0.42784 Eigenvalues --- 0.43123 0.44893 0.47197 0.48079 0.49638 Eigenvalues --- 0.51073 0.58759 0.90020 0.97245 2.19568 RFO step: Lambda=-1.29623022D-02 EMin= 2.47414206D-03 Quartic linear search produced a step of -0.55621. Iteration 1 RMS(Cart)= 0.08436465 RMS(Int)= 0.01200127 Iteration 2 RMS(Cart)= 0.01523568 RMS(Int)= 0.00206170 Iteration 3 RMS(Cart)= 0.00048506 RMS(Int)= 0.00201167 Iteration 4 RMS(Cart)= 0.00000154 RMS(Int)= 0.00201167 Iteration 5 RMS(Cart)= 0.00000001 RMS(Int)= 0.00201167 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88018 0.00203 0.00751 -0.00422 0.00329 2.88347 R2 2.64840 0.00246 -0.00216 0.00108 -0.00107 2.64733 R3 2.74543 -0.00605 -0.00000 -0.00269 -0.00270 2.74273 R4 2.04135 -0.00120 -0.00019 -0.00041 -0.00060 2.04075 R5 2.05939 -0.00117 -0.00124 0.00018 -0.00107 2.05833 R6 2.05398 -0.00233 -0.00284 0.00100 -0.00184 2.05213 R7 2.04948 -0.00064 0.00042 -0.00068 -0.00026 2.04923 R8 1.79075 -0.00129 0.01387 -0.01521 -0.00134 1.78941 R9 2.27186 -0.00350 0.00227 -0.00222 0.00005 2.27190 R10 2.60877 0.00794 0.00020 0.00247 0.00263 2.61139 R11 2.78707 0.00053 0.00411 -0.00939 -0.00529 2.78178 R12 2.60447 -0.00970 -0.00110 -0.00313 -0.00424 2.60023 R13 1.89507 -0.00626 -0.00079 -0.00204 -0.00283 1.89224 R14 2.29951 -0.00809 0.00108 -0.00321 -0.00213 2.29738 R15 2.53948 0.00206 -0.00307 0.00585 0.00281 2.54228 R16 2.68095 -0.00033 0.00140 -0.00392 -0.00249 2.67846 R17 2.52266 -0.00025 0.01546 -0.01734 -0.00186 2.52080 R18 2.02668 -0.00878 -0.00203 -0.00181 -0.00385 2.02283 R19 2.47127 0.12418 0.01198 0.03099 0.04297 2.51424 R20 2.65187 0.04568 -0.01021 0.03810 0.02790 2.67976 R21 2.57146 0.00685 -0.00229 0.02730 0.02501 2.59647 R22 1.79403 -0.00259 0.01680 -0.01197 0.00484 1.79887 A1 1.91232 0.00436 0.00663 0.00024 0.00685 1.91918 A2 1.96556 -0.00230 0.00065 -0.00170 -0.00104 1.96451 A3 1.93502 -0.00084 -0.00431 0.00578 0.00148 1.93650 A4 1.87276 -0.00084 -0.00536 -0.00400 -0.00935 1.86341 A5 1.89856 0.00014 0.00323 -0.00205 0.00116 1.89972 A6 1.87741 -0.00056 -0.00089 0.00138 0.00049 1.87790 A7 1.93238 -0.00119 0.00031 -0.00207 -0.00176 1.93063 A8 1.93429 0.00068 -0.00054 0.00225 0.00171 1.93600 A9 1.91449 0.00074 0.00206 -0.00046 0.00161 1.91610 A10 1.88745 -0.00012 -0.00204 0.00126 -0.00078 1.88667 A11 1.89204 0.00048 0.00182 -0.00176 0.00007 1.89212 A12 1.90230 -0.00060 -0.00166 0.00075 -0.00092 1.90138 A13 1.89662 -0.00004 -0.00450 -0.00080 -0.00530 1.89132 A14 2.08026 -0.00405 -0.00834 0.00999 0.00160 2.08186 A15 2.22620 -0.00186 0.00584 -0.00988 -0.00410 2.22210 A16 1.97506 0.00609 0.00342 0.00092 0.00413 1.97919 A17 2.24582 -0.00026 0.00390 -0.00850 -0.00454 2.24127 A18 2.01644 0.00164 -0.00143 0.00398 0.00274 2.01917 A19 2.00971 -0.00134 0.00060 -0.00127 -0.00049 2.00923 A20 2.10042 0.00351 -0.00054 0.00440 0.00388 2.10430 A21 1.99790 -0.00242 -0.00069 -0.00067 -0.00145 1.99645 A22 2.18474 -0.00108 0.00129 -0.00362 -0.00231 2.18243 A23 2.08852 -0.00946 -0.01268 0.00348 -0.00910 2.07943 A24 2.05473 0.00899 0.01359 -0.00653 0.00707 2.06180 A25 2.13251 0.00046 0.00078 -0.00043 0.00038 2.13289 A26 2.12906 0.00727 0.00325 -0.00128 0.00193 2.13099 A27 2.02881 -0.00019 0.00002 0.00246 0.00248 2.03129 A28 2.12503 -0.00708 -0.00321 -0.00146 -0.00466 2.12037 A29 2.07785 -0.01119 -0.00961 0.00526 -0.00431 2.07354 A30 2.07511 -0.00429 0.01826 -0.02859 -0.01023 2.06488 A31 2.12019 0.01567 -0.00611 0.02211 0.01617 2.13636 A32 1.75973 0.03533 0.11550 -0.00998 0.11417 1.87390 A33 1.88396 0.02075 0.09052 0.02112 0.12227 2.00622 A34 1.81763 0.01181 0.09447 0.01783 0.12440 1.94204 A35 1.75808 0.01877 0.03463 -0.01029 0.02434 1.78241 D1 1.31957 0.00007 0.03965 -0.12134 -0.08168 1.23789 D2 -2.86914 -0.00042 0.03693 -0.11964 -0.08269 -2.95183 D3 -0.76781 -0.00025 0.03586 -0.11757 -0.08170 -0.84950 D4 -2.88071 0.00049 0.03781 -0.12731 -0.08950 -2.97020 D5 -0.78623 0.00000 0.03510 -0.12561 -0.09051 -0.87674 D6 1.31510 0.00017 0.03403 -0.12354 -0.08951 1.22559 D7 -0.77616 -0.00240 0.03408 -0.12260 -0.08854 -0.86470 D8 1.31832 -0.00289 0.03137 -0.12091 -0.08955 1.22876 D9 -2.86354 -0.00273 0.03029 -0.11884 -0.08855 -2.95209 D10 -1.01036 -0.00053 -0.00902 0.01651 0.00750 -1.00286 D11 3.13370 0.00018 -0.01041 0.02092 0.01052 -3.13896 D12 1.10750 0.00121 -0.00815 0.02247 0.01430 1.12180 D13 1.73463 -0.00109 -0.03173 0.10830 0.07659 1.81121 D14 -1.27926 -0.00110 -0.04811 0.13808 0.08995 -1.18931 D15 -2.44281 0.00237 -0.02669 0.10489 0.07823 -2.36458 D16 0.82649 0.00236 -0.04307 0.13467 0.09159 0.91808 D17 -0.40267 0.00182 -0.02611 0.10115 0.07506 -0.32762 D18 2.86663 0.00181 -0.04250 0.13094 0.08842 2.95504 D19 2.93302 0.00218 0.04414 -0.02684 0.01755 2.95057 D20 -0.03880 0.00197 0.01705 0.01666 0.03389 -0.00491 D21 -0.15121 -0.00079 0.01260 -0.04406 -0.03156 -0.18277 D22 -3.12304 -0.00101 -0.01449 -0.00056 -0.01521 -3.13825 D23 -2.97380 -0.00279 -0.03626 0.00297 -0.03292 -3.00672 D24 0.01837 -0.00002 -0.01501 -0.00406 -0.01904 -0.00067 D25 0.10463 0.00044 -0.00154 0.02278 0.02120 0.12583 D26 3.09680 0.00321 0.01972 0.01575 0.03508 3.13187 D27 -3.01208 -0.00028 -0.02608 0.03376 0.00754 -3.00454 D28 0.11302 -0.00011 -0.01297 0.04042 0.02750 0.14051 D29 -0.03971 0.00018 0.00080 -0.00917 -0.00846 -0.04817 D30 3.08538 0.00035 0.01391 -0.00251 0.01150 3.09688 D31 -3.03251 -0.00087 -0.01661 0.01699 0.00005 -3.03247 D32 -0.02452 -0.00027 0.00124 -0.01460 -0.01342 -0.03794 D33 0.09166 -0.00064 -0.00276 0.02411 0.02110 0.11276 D34 3.09966 -0.00004 0.01509 -0.00749 0.00764 3.10729 D35 3.00584 -0.00016 0.02552 -0.03257 -0.00740 2.99844 D36 -0.16104 -0.00033 0.02845 -0.04511 -0.01697 -0.17801 D37 -0.00462 0.00058 0.00945 -0.00227 0.00711 0.00249 D38 3.11169 0.00041 0.01239 -0.01481 -0.00246 3.10922 D39 -0.03835 -0.00060 -0.00876 -0.00229 -0.01095 -0.04930 D40 -3.02651 -0.00159 -0.03219 0.00947 -0.02299 -3.04950 D41 3.12992 -0.00054 -0.01190 0.01089 -0.00100 3.12892 D42 0.14175 -0.00153 -0.03533 0.02264 -0.01304 0.12871 D43 1.11442 -0.01615 -0.23529 0.21987 -0.01183 1.10259 D44 3.01454 0.01769 0.02026 0.24196 0.25892 -3.00973 D45 -2.18036 -0.01575 -0.21367 0.21102 0.00065 -2.17972 D46 -0.28025 0.01809 0.04188 0.23311 0.27140 -0.00885 D47 -2.04905 0.01923 0.13303 -0.05924 0.06922 -1.97984 D48 2.28257 -0.01902 -0.10914 -0.08396 -0.18852 2.09405 Item Value Threshold Converged? Maximum Force 0.124178 0.000450 NO RMS Force 0.014761 0.000300 NO Maximum Displacement 0.552317 0.001800 NO RMS Displacement 0.092338 0.001200 NO Predicted change in Energy=-1.250883D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.940857 -4.978691 1.981858 2 6 0 7.052099 -4.991639 3.503609 3 8 0 6.730166 -6.279589 1.506662 4 8 0 2.782615 -1.677806 0.860131 5 6 0 3.625402 -2.521054 1.015125 6 7 0 4.939664 -2.228269 0.704302 7 6 0 6.069634 -2.958297 0.993360 8 8 0 7.174382 -2.499430 0.776666 9 7 0 5.826915 -4.175737 1.511826 10 6 0 4.512721 -4.635203 1.777817 11 6 0 3.436362 -3.888195 1.527113 12 1 0 7.840106 -4.584441 1.532250 13 1 0 7.987848 -5.453461 3.815845 14 1 0 7.024288 -3.982236 3.903115 15 1 0 5.107850 -1.304905 0.355340 16 1 0 4.425395 -5.630616 2.161697 17 7 0 2.208299 -4.270107 1.867958 18 1 0 6.231533 -5.560423 3.926798 19 1 0 7.445172 -6.824993 1.803224 20 8 0 1.413599 -4.237004 0.693958 21 8 0 2.132925 -5.494670 2.486521 22 1 0 0.801169 -3.534232 0.886825 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.525866 0.000000 3 O 1.400907 2.397969 0.000000 4 O 5.426333 6.016474 6.097341 0.000000 5 C 4.238726 4.902916 4.899771 1.202240 0.000000 6 N 3.633420 4.464830 4.501430 2.231626 1.381890 7 C 2.412084 3.376546 3.425020 3.530142 2.483129 8 O 2.766542 3.696252 3.875542 4.468742 3.557048 9 N 1.451390 2.476685 2.289560 3.991507 2.798454 10 C 2.460785 3.090929 2.773913 3.547057 2.416332 11 C 3.698305 4.265873 4.070421 2.399598 1.472054 12 H 1.079921 2.161717 2.026364 5.871838 4.721092 13 H 2.164510 1.089219 2.756190 7.077165 5.956004 14 H 2.165898 1.085943 3.332766 5.706308 4.693396 15 H 4.416127 5.223380 5.357698 2.408441 2.027803 16 H 2.604784 3.018044 2.482380 4.474093 3.409398 17 N 4.786666 5.163173 4.961434 2.839996 2.407216 18 H 2.150429 1.084404 2.573499 6.031103 4.950507 19 H 1.922258 2.531206 0.946915 7.008737 5.808238 20 O 5.723580 6.344785 5.753132 2.907114 2.817749 21 O 4.861804 5.048344 4.765590 4.199487 3.637979 22 H 6.401666 6.931501 6.563092 2.715355 3.003212 6 7 8 9 10 6 N 0.000000 7 C 1.375982 0.000000 8 O 2.252272 1.215723 0.000000 9 N 2.287343 1.345317 2.272913 0.000000 10 C 2.669840 2.418960 3.556441 1.417380 0.000000 11 C 2.385852 2.843189 4.057663 2.407832 1.333949 12 H 3.827480 2.463598 2.315462 2.054360 3.336821 13 H 5.419869 4.227506 4.315627 3.407450 4.110914 14 H 4.201722 3.229008 3.463514 2.681307 3.354286 15 H 1.001330 2.016383 2.423832 3.177450 3.669946 16 H 3.736902 3.348108 4.390851 2.122090 1.070438 17 N 3.603270 4.170812 5.384069 3.637322 2.334904 18 H 4.812136 3.924580 4.492435 2.813034 2.903182 19 H 5.349305 4.183219 4.453947 3.118049 3.659931 20 O 4.058111 4.837706 6.017693 4.488877 3.307245 21 O 4.660844 4.915323 6.108303 4.041680 2.627618 22 H 4.343500 5.300922 6.457615 5.104926 3.972608 11 12 13 14 15 11 C 0.000000 12 H 4.458446 0.000000 13 H 5.329575 2.447822 0.000000 14 H 4.304352 2.578606 1.760842 0.000000 15 H 3.292463 4.427831 6.122091 4.840201 0.000000 16 H 2.101645 3.626423 3.931751 3.536091 4.737135 17 N 1.330478 5.650553 6.212711 5.236266 4.414502 18 H 4.045716 3.045309 1.763063 1.766265 5.668104 19 H 4.977105 2.291174 2.495244 3.559207 6.166912 20 O 2.215263 6.490257 7.378801 6.468650 4.728568 21 O 2.280389 5.857565 6.004076 5.312216 5.562935 22 H 2.734867 7.146058 7.994432 6.930074 4.878511 16 17 18 19 20 16 H 0.000000 17 N 2.617781 0.000000 18 H 2.526390 4.700016 0.000000 19 H 3.267123 5.827218 2.753474 0.000000 20 O 3.628681 1.418070 5.951066 6.656428 0.000000 21 O 2.319355 1.373993 4.344803 5.518752 2.304872 22 H 4.376658 1.866588 6.544902 7.470720 0.951923 21 22 21 O 0.000000 22 H 2.859356 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.479063 -0.491407 -0.130685 2 6 0 2.811520 -1.070671 1.241245 3 8 0 2.478034 -1.510034 -1.092422 4 8 0 -2.395781 1.828185 0.417473 5 6 0 -1.381880 1.232112 0.168314 6 7 0 -0.217706 1.942403 -0.054859 7 6 0 1.069774 1.466072 -0.148834 8 8 0 2.010372 2.234059 -0.207615 9 7 0 1.165404 0.124351 -0.171622 10 6 0 0.029611 -0.715956 -0.058373 11 6 0 -1.203982 -0.226168 0.074956 12 1 0 3.200466 0.259037 -0.418158 13 1 0 3.858494 -1.367277 1.288866 14 1 0 2.631849 -0.340285 2.024525 15 1 0 -0.299151 2.938713 0.003398 16 1 0 0.209408 -1.769463 -0.118644 17 7 0 -2.261783 -1.005521 0.284323 18 1 0 2.198844 -1.945589 1.428538 19 1 0 3.326758 -1.929833 -1.083271 20 8 0 -3.208534 -0.715827 -0.730893 21 8 0 -1.988239 -2.350791 0.341586 22 1 0 -3.919527 -0.322568 -0.234916 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0420116 0.5471460 0.3940550 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 954.8421378282 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.87D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999883 -0.013735 0.006533 -0.001724 Ang= -1.75 deg. B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999829 -0.011978 0.002509 0.013870 Ang= -2.12 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.401604028 A.U. after 15 cycles NFock= 15 Conv=0.60D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000156945 -0.000440503 -0.003304315 2 6 -0.001313281 0.002686626 0.001291141 3 8 0.001650045 -0.003030758 -0.002654138 4 8 0.004572459 -0.003459106 -0.000498241 5 6 -0.007411422 -0.000030087 -0.001672013 6 7 0.009468965 0.004229819 -0.000684392 7 6 0.004352382 0.008257148 -0.008844187 8 8 -0.005929108 -0.002470558 0.002760019 9 7 0.001090905 -0.010209586 0.010442271 10 6 0.007776567 0.006050627 -0.006277062 11 6 0.049772602 0.005502184 -0.008419852 12 1 -0.002972719 0.004761937 0.001944731 13 1 -0.000628924 -0.000222565 -0.000963516 14 1 0.001089878 -0.001298628 -0.000688713 15 1 0.000292170 -0.004484528 0.001998733 16 1 -0.003130297 0.004976528 -0.000413372 17 7 -0.059128208 -0.029868716 0.036168408 18 1 0.000038848 0.001667383 0.000357296 19 1 -0.000896655 -0.000784848 -0.000001424 20 8 -0.008123231 0.007546481 -0.003336945 21 8 0.005972276 0.016782775 -0.013910828 22 1 0.003299802 -0.006161625 -0.003293601 ------------------------------------------------------------------- Cartesian Forces: Max 0.059128208 RMS 0.012239743 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.060878503 RMS 0.006909161 Search for a local minimum. Step number 8 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 7 6 8 DE= -7.54D-03 DEPred=-1.25D-02 R= 6.03D-01 TightC=F SS= 1.41D+00 RLast= 9.10D-01 DXNew= 1.9955D+00 2.7286D+00 Trust test= 6.03D-01 RLast= 9.10D-01 DXMaxT set to 2.00D+00 ITU= 1 -1 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00234 0.00354 0.00478 0.01224 0.01431 Eigenvalues --- 0.01492 0.01600 0.01847 0.01935 0.01982 Eigenvalues --- 0.02048 0.02265 0.02391 0.02822 0.04799 Eigenvalues --- 0.05414 0.05627 0.05717 0.06358 0.08297 Eigenvalues --- 0.15681 0.15826 0.15932 0.15985 0.16002 Eigenvalues --- 0.16009 0.16106 0.17942 0.19604 0.20390 Eigenvalues --- 0.22210 0.23273 0.24036 0.24588 0.24910 Eigenvalues --- 0.24946 0.25051 0.29704 0.31028 0.33164 Eigenvalues --- 0.33885 0.34802 0.34846 0.34856 0.34874 Eigenvalues --- 0.34922 0.36398 0.39637 0.41860 0.42666 Eigenvalues --- 0.43653 0.44526 0.47238 0.47794 0.49577 Eigenvalues --- 0.50635 0.58181 0.89441 0.97176 1.46766 RFO step: Lambda=-1.24259707D-02 EMin= 2.33704542D-03 Quartic linear search produced a step of 0.06609. Iteration 1 RMS(Cart)= 0.05302434 RMS(Int)= 0.00343113 Iteration 2 RMS(Cart)= 0.00383380 RMS(Int)= 0.00072016 Iteration 3 RMS(Cart)= 0.00001759 RMS(Int)= 0.00072004 Iteration 4 RMS(Cart)= 0.00000003 RMS(Int)= 0.00072004 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88347 -0.00009 -0.00067 -0.01079 -0.01146 2.87201 R2 2.64733 0.00433 0.00019 0.01152 0.01170 2.65903 R3 2.74273 -0.00536 -0.00018 -0.02235 -0.02253 2.72020 R4 2.04075 -0.00155 -0.00002 -0.00549 -0.00551 2.03524 R5 2.05833 -0.00072 0.00008 -0.00006 0.00002 2.05835 R6 2.05213 -0.00149 0.00022 -0.00143 -0.00121 2.05092 R7 2.04923 -0.00076 -0.00007 -0.00339 -0.00346 2.04577 R8 1.78941 -0.00023 -0.00174 -0.05867 -0.06040 1.72901 R9 2.27190 -0.00557 -0.00027 -0.01782 -0.01809 2.25381 R10 2.61139 0.00691 0.00015 0.01652 0.01663 2.62803 R11 2.78178 0.00134 -0.00084 -0.00125 -0.00208 2.77970 R12 2.60023 -0.00524 -0.00015 -0.01121 -0.01137 2.58886 R13 1.89224 -0.00478 -0.00009 -0.01846 -0.01855 1.87369 R14 2.29738 -0.00681 -0.00027 -0.00653 -0.00680 2.29058 R15 2.54228 0.00383 0.00055 -0.00007 0.00048 2.54276 R16 2.67846 -0.00188 -0.00033 0.00705 0.00674 2.68520 R17 2.52080 -0.00049 -0.00196 -0.01027 -0.01221 2.50859 R18 2.02283 -0.00452 -0.00001 -0.02037 -0.02038 2.00245 R19 2.51424 0.06088 0.00142 0.07772 0.07913 2.59337 R20 2.67976 0.00822 0.00306 0.00011 0.00317 2.68293 R21 2.59647 -0.02155 0.00192 -0.10039 -0.09847 2.49800 R22 1.79887 -0.00734 -0.00168 -0.07596 -0.07763 1.72124 A1 1.91918 0.00232 -0.00033 0.01184 0.01158 1.93076 A2 1.96451 -0.00200 -0.00015 -0.01695 -0.01760 1.94692 A3 1.93650 -0.00058 0.00061 -0.01252 -0.01251 1.92399 A4 1.86341 0.00074 0.00002 0.03397 0.03412 1.89753 A5 1.89972 0.00065 -0.00031 0.01199 0.01196 1.91167 A6 1.87790 -0.00108 0.00014 -0.02645 -0.02685 1.85105 A7 1.93063 -0.00131 -0.00015 -0.00833 -0.00850 1.92213 A8 1.93600 -0.00019 0.00018 -0.00555 -0.00539 1.93061 A9 1.91610 0.00127 -0.00014 0.00709 0.00696 1.92306 A10 1.88667 0.00032 0.00019 0.00248 0.00263 1.88930 A11 1.89212 0.00033 -0.00021 0.00237 0.00217 1.89429 A12 1.90138 -0.00042 0.00014 0.00217 0.00232 1.90370 A13 1.89132 0.00176 0.00018 0.01794 0.01813 1.90945 A14 2.08186 -0.00216 0.00110 0.00878 0.00968 2.09154 A15 2.22210 0.00047 -0.00096 -0.01059 -0.01171 2.21039 A16 1.97919 0.00168 -0.00013 0.00158 0.00139 1.98058 A17 2.24127 0.00057 -0.00076 0.01024 0.00941 2.25069 A18 2.01917 0.00072 0.00035 -0.00186 -0.00156 2.01761 A19 2.00923 -0.00127 -0.00010 -0.00948 -0.00965 1.99958 A20 2.10430 0.00111 0.00032 0.00374 0.00383 2.10813 A21 1.99645 -0.00092 -0.00001 -0.00844 -0.00861 1.98784 A22 2.18243 -0.00018 -0.00031 0.00482 0.00428 2.18671 A23 2.07943 -0.00390 0.00091 -0.00513 -0.00434 2.07509 A24 2.06180 0.00556 -0.00115 0.00741 0.00610 2.06790 A25 2.13289 -0.00162 -0.00007 -0.00491 -0.00499 2.12790 A26 2.13099 0.00629 -0.00026 0.01905 0.01885 2.14984 A27 2.03129 0.00048 0.00016 0.00558 0.00560 2.03688 A28 2.12037 -0.00673 0.00007 -0.02523 -0.02525 2.09511 A29 2.07354 -0.00589 0.00086 -0.01432 -0.01380 2.05974 A30 2.06488 0.00310 -0.00285 -0.01490 -0.01830 2.04658 A31 2.13636 0.00286 0.00179 0.03593 0.03732 2.17368 A32 1.87390 0.00052 -0.00618 -0.00098 -0.00964 1.86426 A33 2.00622 -0.00896 -0.00268 -0.04661 -0.05295 1.95328 A34 1.94204 0.00143 -0.00300 -0.07651 -0.08345 1.85858 A35 1.78241 0.00419 -0.00251 -0.01138 -0.01388 1.76853 D1 1.23789 -0.00004 -0.01011 -0.05638 -0.06648 1.17141 D2 -2.95183 -0.00062 -0.00985 -0.06239 -0.07220 -3.02403 D3 -0.84950 -0.00043 -0.00966 -0.05860 -0.06823 -0.91774 D4 -2.97020 0.00116 -0.01041 -0.01651 -0.02705 -2.99725 D5 -0.87674 0.00058 -0.01015 -0.02251 -0.03277 -0.90951 D6 1.22559 0.00077 -0.00996 -0.01872 -0.02880 1.19679 D7 -0.86470 -0.00201 -0.00990 -0.07107 -0.08090 -0.94560 D8 1.22876 -0.00259 -0.00965 -0.07708 -0.08662 1.14214 D9 -2.95209 -0.00240 -0.00945 -0.07329 -0.08265 -3.03474 D10 -1.00286 -0.00023 0.00157 0.02453 0.02632 -0.97654 D11 -3.13896 0.00038 0.00193 0.01707 0.01890 -3.12006 D12 1.12180 0.00092 0.00191 0.02414 0.02594 1.14774 D13 1.81121 -0.00099 0.00883 0.01240 0.02149 1.83271 D14 -1.18931 -0.00112 0.01166 0.03311 0.04499 -1.14432 D15 -2.36458 0.00117 0.00834 0.03942 0.04786 -2.31672 D16 0.91808 0.00104 0.01117 0.06013 0.07136 0.98944 D17 -0.32762 0.00177 0.00806 0.05741 0.06517 -0.26245 D18 2.95504 0.00164 0.01089 0.07812 0.08867 3.04371 D19 2.95057 0.00027 -0.00408 -0.00603 -0.01049 2.94008 D20 -0.00491 0.00029 0.00021 0.00264 0.00261 -0.00230 D21 -0.18277 0.00042 -0.00358 0.02177 0.01822 -0.16455 D22 -3.13825 0.00044 0.00072 0.03045 0.03131 -3.10694 D23 -3.00672 -0.00098 0.00213 -0.00469 -0.00228 -3.00900 D24 -0.00067 -0.00011 0.00053 0.05193 0.05160 0.05093 D25 0.12583 -0.00116 0.00158 -0.03506 -0.03319 0.09264 D26 3.13187 -0.00029 -0.00002 0.02155 0.02069 -3.13062 D27 -3.00454 0.00044 0.00360 0.03627 0.03986 -2.96468 D28 0.14051 -0.00061 0.00336 0.00050 0.00391 0.14442 D29 -0.04817 0.00060 -0.00065 0.02830 0.02757 -0.02060 D30 3.09688 -0.00045 -0.00089 -0.00747 -0.00837 3.08851 D31 -3.03247 -0.00013 0.00198 0.00735 0.00918 -3.02329 D32 -0.03794 0.00059 -0.00103 -0.01321 -0.01423 -0.05217 D33 0.11276 -0.00124 0.00172 -0.03026 -0.02865 0.08411 D34 3.10729 -0.00052 -0.00129 -0.05082 -0.05206 3.05523 D35 2.99844 -0.00102 -0.00352 -0.02067 -0.02419 2.97425 D36 -0.17801 0.00029 -0.00450 -0.04038 -0.04519 -0.22321 D37 0.00249 -0.00098 -0.00065 0.00069 -0.00004 0.00246 D38 3.10922 0.00033 -0.00164 -0.01902 -0.02104 3.08818 D39 -0.04930 0.00117 0.00032 0.02458 0.02487 -0.02443 D40 -3.04950 0.00029 0.00231 -0.03012 -0.02836 -3.07786 D41 3.12892 -0.00037 0.00135 0.04463 0.04590 -3.10837 D42 0.12871 -0.00126 0.00334 -0.01007 -0.00733 0.12138 D43 1.10259 -0.00056 0.02717 -0.07031 -0.04456 1.05803 D44 -3.00973 -0.00454 0.01470 -0.20340 -0.18773 3.08573 D45 -2.17972 -0.00037 0.02543 -0.01585 0.00861 -2.17111 D46 -0.00885 -0.00435 0.01296 -0.14895 -0.13456 -0.14341 D47 -1.97984 -0.00559 -0.01123 -0.16060 -0.16979 -2.14962 D48 2.09405 0.00445 0.00051 -0.04881 -0.05034 2.04371 Item Value Threshold Converged? Maximum Force 0.060879 0.000450 NO RMS Force 0.006909 0.000300 NO Maximum Displacement 0.280657 0.001800 NO RMS Displacement 0.052173 0.001200 NO Predicted change in Energy=-7.524145D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.948222 -4.982212 1.977403 2 6 0 7.023008 -4.984538 3.495362 3 8 0 6.808143 -6.293274 1.486058 4 8 0 2.805269 -1.695242 0.874092 5 6 0 3.641162 -2.533700 1.018044 6 7 0 4.963442 -2.256248 0.688472 7 6 0 6.091536 -2.980734 0.970136 8 8 0 7.193180 -2.515528 0.772130 9 7 0 5.843110 -4.190766 1.503680 10 6 0 4.522824 -4.624513 1.799981 11 6 0 3.446217 -3.881424 1.574226 12 1 0 7.835108 -4.534637 1.561413 13 1 0 7.943938 -5.464052 3.824568 14 1 0 7.011897 -3.969768 3.880062 15 1 0 5.135632 -1.344454 0.339071 16 1 0 4.417911 -5.611269 2.171695 17 7 0 2.166524 -4.242000 1.914408 18 1 0 6.184238 -5.529202 3.909820 19 1 0 7.496587 -6.809556 1.796916 20 8 0 1.392400 -4.178915 0.725949 21 8 0 2.102406 -5.492534 2.338003 22 1 0 0.736246 -3.596435 0.970510 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519802 0.000000 3 O 1.407098 2.407542 0.000000 4 O 5.402364 5.956497 6.126941 0.000000 5 C 4.225189 4.855985 4.937935 1.192666 0.000000 6 N 3.609927 4.423122 4.509617 2.237610 1.390691 7 C 2.398836 3.355538 3.428210 3.530052 2.491278 8 O 2.756306 3.679805 3.863847 4.465090 3.560567 9 N 1.439470 2.447250 2.313469 3.981520 2.798265 10 C 2.458044 3.042180 2.847103 3.519645 2.400052 11 C 3.693010 4.207262 4.138519 2.383358 1.470953 12 H 1.077005 2.145245 2.037926 5.816689 4.678481 13 H 2.153053 1.089230 2.728785 7.022476 5.914171 14 H 2.156202 1.085300 3.342372 5.648455 4.649225 15 H 4.382111 5.174415 5.348242 2.416587 2.027006 16 H 2.614562 2.988548 2.578456 4.429408 3.377229 17 N 4.839061 5.161028 5.092723 2.824221 2.428232 18 H 2.148744 1.082575 2.616808 5.944100 4.878794 19 H 1.916368 2.537654 0.914951 7.001163 5.809810 20 O 5.751398 6.326327 5.863322 2.861254 2.801603 21 O 4.885938 5.080341 4.848809 4.129949 3.586747 22 H 6.443823 6.915568 6.663832 2.811527 3.093574 6 7 8 9 10 6 N 0.000000 7 C 1.369967 0.000000 8 O 2.246320 1.212123 0.000000 9 N 2.276123 1.345572 2.272504 0.000000 10 C 2.652974 2.418990 3.554588 1.420945 0.000000 11 C 2.393267 2.859000 4.068017 2.417801 1.327489 12 H 3.768229 2.409205 2.260939 2.022285 3.322081 13 H 5.385950 4.212605 4.309850 3.379535 4.062980 14 H 4.161557 3.208258 3.436119 2.657460 3.309217 15 H 0.991514 1.997350 2.406752 3.155682 3.642606 16 H 3.708600 3.341329 4.386857 2.120204 1.059653 17 N 3.642647 4.229439 5.436246 3.699811 2.389886 18 H 4.751804 3.891660 4.466015 2.774398 2.833757 19 H 5.327108 4.161444 4.425034 3.110954 3.690215 20 O 4.055908 4.855630 6.034735 4.518166 3.339409 21 O 4.623854 4.908498 6.101680 4.047661 2.627042 22 H 4.443516 5.390567 6.549787 5.168903 4.010378 11 12 13 14 15 11 C 0.000000 12 H 4.437253 0.000000 13 H 5.272404 2.448984 0.000000 14 H 4.247206 2.524457 1.762006 0.000000 15 H 3.288761 4.354143 6.083285 4.790747 0.000000 16 H 2.072081 3.634394 3.896990 3.513091 4.698866 17 N 1.372353 5.687098 6.206500 5.235985 4.437686 18 H 3.958147 3.038016 1.762968 1.765712 5.600173 19 H 5.002903 2.311993 2.474243 3.555111 6.129173 20 O 2.241927 6.506383 7.360412 6.447551 4.711224 21 O 2.232679 5.863832 6.027784 5.366550 5.513869 22 H 2.790991 7.184931 7.973987 6.927385 4.982442 16 17 18 19 20 16 H 0.000000 17 N 2.647609 0.000000 18 H 2.479461 4.666967 0.000000 19 H 3.324845 5.917408 2.797486 0.000000 20 O 3.646304 1.419747 5.909485 6.732632 0.000000 21 O 2.324504 1.321885 4.374163 5.578934 2.197367 22 H 4.365438 1.831227 6.485040 7.530558 0.910841 21 22 21 O 0.000000 22 H 2.707696 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.478135 -0.512805 -0.112115 2 6 0 2.759115 -1.086263 1.267013 3 8 0 2.544336 -1.521298 -1.091138 4 8 0 -2.362860 1.829108 0.403391 5 6 0 -1.360908 1.231370 0.155894 6 7 0 -0.181722 1.927700 -0.086320 7 6 0 1.098846 1.448867 -0.173911 8 8 0 2.043694 2.207286 -0.210037 9 7 0 1.179762 0.105731 -0.173066 10 6 0 0.030051 -0.716104 -0.025292 11 6 0 -1.196783 -0.229925 0.118704 12 1 0 3.188623 0.262357 -0.345074 13 1 0 3.795135 -1.416240 1.331822 14 1 0 2.592645 -0.336474 2.033812 15 1 0 -0.250023 2.915696 -0.038358 16 1 0 0.181999 -1.763021 -0.086463 17 7 0 -2.316173 -0.993892 0.334738 18 1 0 2.114985 -1.935413 1.456772 19 1 0 3.360106 -1.933394 -1.048342 20 8 0 -3.242160 -0.664571 -0.689848 21 8 0 -2.063405 -2.285477 0.211053 22 1 0 -3.964117 -0.401511 -0.200759 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0621836 0.5402144 0.3927015 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 956.6013640087 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.61D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999980 -0.000219 0.002706 0.005658 Ang= -0.72 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.402485251 A.U. after 15 cycles NFock= 15 Conv=0.42D-08 -V/T= 2.0011 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.005913000 -0.001987270 -0.001085939 2 6 0.001535880 -0.000925964 0.003021131 3 8 -0.033251714 0.026987603 -0.015886799 4 8 -0.001541744 0.009228407 -0.004952675 5 6 0.002225453 -0.007954546 0.007709806 6 7 0.001359976 0.000027328 -0.001272965 7 6 -0.000953242 0.008574946 -0.001897815 8 8 -0.001170310 -0.002221684 -0.001151535 9 7 -0.009629804 -0.013597023 0.006448378 10 6 0.005672857 0.004475576 -0.007035943 11 6 0.020539388 0.014550977 -0.014878789 12 1 0.000401004 0.001116257 0.000509648 13 1 -0.000778013 -0.000010210 0.000422892 14 1 0.000860760 -0.001081908 -0.000412057 15 1 0.001071577 0.004884838 -0.001909813 16 1 -0.001532689 -0.004981676 0.003260311 17 7 -0.021013818 -0.013353476 0.010046955 18 1 -0.000557450 0.000691800 0.001157320 19 1 0.030389780 -0.022044526 0.014687113 20 8 0.027147363 -0.012722193 -0.023682375 21 8 0.007239076 -0.018531871 0.019499281 22 1 -0.033927330 0.028874616 0.007403871 ------------------------------------------------------------------- Cartesian Forces: Max 0.033927330 RMS 0.012575910 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.044893831 RMS 0.008169838 Search for a local minimum. Step number 9 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 8 9 DE= -8.81D-04 DEPred=-7.52D-03 R= 1.17D-01 Trust test= 1.17D-01 RLast= 4.60D-01 DXMaxT set to 2.00D+00 ITU= 0 1 -1 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00247 0.00354 0.00479 0.01348 0.01456 Eigenvalues --- 0.01502 0.01648 0.01846 0.01953 0.02038 Eigenvalues --- 0.02056 0.02306 0.02425 0.02821 0.05087 Eigenvalues --- 0.05336 0.05664 0.05730 0.08066 0.09245 Eigenvalues --- 0.15649 0.15807 0.15896 0.15954 0.16003 Eigenvalues --- 0.16014 0.16118 0.17904 0.19702 0.20127 Eigenvalues --- 0.22731 0.23819 0.24296 0.24764 0.24922 Eigenvalues --- 0.25046 0.26325 0.29873 0.32559 0.33198 Eigenvalues --- 0.34747 0.34831 0.34846 0.34863 0.34867 Eigenvalues --- 0.35763 0.36490 0.40051 0.42621 0.42736 Eigenvalues --- 0.44165 0.46288 0.47531 0.49520 0.49819 Eigenvalues --- 0.56933 0.61572 0.88945 0.96983 1.16246 RFO step: Lambda=-6.78820614D-03 EMin= 2.46648514D-03 Quartic linear search produced a step of -0.45364. Iteration 1 RMS(Cart)= 0.05303833 RMS(Int)= 0.00147305 Iteration 2 RMS(Cart)= 0.00166928 RMS(Int)= 0.00034700 Iteration 3 RMS(Cart)= 0.00000219 RMS(Int)= 0.00034700 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00034700 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87201 0.00424 0.00520 0.00044 0.00564 2.87765 R2 2.65903 -0.00390 -0.00531 0.00313 -0.00218 2.65686 R3 2.72020 0.00275 0.01022 -0.00598 0.00424 2.72445 R4 2.03524 0.00060 0.00250 -0.00205 0.00045 2.03569 R5 2.05835 -0.00053 -0.00001 -0.00085 -0.00086 2.05749 R6 2.05092 -0.00117 0.00055 -0.00212 -0.00157 2.04935 R7 2.04577 0.00053 0.00157 -0.00102 0.00055 2.04632 R8 1.72901 0.04030 0.02740 0.02914 0.05655 1.78555 R9 2.25381 0.00817 0.00821 -0.00251 0.00570 2.25951 R10 2.62803 0.00218 -0.00755 0.01139 0.00387 2.63190 R11 2.77970 0.00440 0.00094 0.00101 0.00197 2.78167 R12 2.58886 -0.00018 0.00516 -0.00395 0.00121 2.59007 R13 1.87369 0.00535 0.00841 -0.00109 0.00732 1.88101 R14 2.29058 -0.00173 0.00309 -0.00521 -0.00213 2.28845 R15 2.54276 0.00844 -0.00022 0.01382 0.01359 2.55635 R16 2.68520 -0.00738 -0.00306 -0.01032 -0.01339 2.67181 R17 2.50859 0.00081 0.00554 -0.00883 -0.00330 2.50530 R18 2.00245 0.00593 0.00925 0.00227 0.01151 2.01397 R19 2.59337 0.02659 -0.03590 0.05008 0.01419 2.60756 R20 2.68293 0.01804 -0.00144 0.01433 0.01289 2.69582 R21 2.49800 0.02343 0.04467 -0.02033 0.02434 2.52234 R22 1.72124 0.04489 0.03522 0.02458 0.05980 1.78104 A1 1.93076 0.00166 -0.00525 0.00918 0.00390 1.93466 A2 1.94692 0.00391 0.00798 -0.00070 0.00751 1.95442 A3 1.92399 -0.00179 0.00567 -0.00680 -0.00088 1.92310 A4 1.89753 -0.00550 -0.01548 -0.00399 -0.01951 1.87801 A5 1.91167 0.00112 -0.00542 0.01352 0.00795 1.91962 A6 1.85105 0.00047 0.01218 -0.01169 0.00074 1.85178 A7 1.92213 0.00066 0.00386 -0.00349 0.00036 1.92249 A8 1.93061 -0.00042 0.00245 -0.00539 -0.00294 1.92767 A9 1.92306 0.00141 -0.00316 0.01093 0.00776 1.93082 A10 1.88930 -0.00044 -0.00119 -0.00163 -0.00280 1.88650 A11 1.89429 -0.00070 -0.00098 0.00049 -0.00052 1.89377 A12 1.90370 -0.00056 -0.00105 -0.00101 -0.00206 1.90164 A13 1.90945 -0.00183 -0.00822 0.00418 -0.00404 1.90541 A14 2.09154 -0.00686 -0.00439 -0.00478 -0.00926 2.08228 A15 2.21039 0.00784 0.00531 0.00933 0.01456 2.22495 A16 1.98058 -0.00094 -0.00063 -0.00393 -0.00465 1.97593 A17 2.25069 -0.00226 -0.00427 -0.00172 -0.00596 2.24473 A18 2.01761 0.00128 0.00071 0.00295 0.00366 2.02128 A19 1.99958 0.00095 0.00438 -0.00242 0.00195 2.00153 A20 2.10813 -0.00005 -0.00174 0.00110 -0.00058 2.10754 A21 1.98784 0.00234 0.00391 0.00263 0.00656 1.99441 A22 2.18671 -0.00225 -0.00194 -0.00369 -0.00558 2.18113 A23 2.07509 -0.00046 0.00197 0.00147 0.00343 2.07851 A24 2.06790 0.00252 -0.00277 0.00879 0.00606 2.07395 A25 2.12790 -0.00192 0.00226 -0.00914 -0.00694 2.12096 A26 2.14984 0.00177 -0.00855 0.01148 0.00276 2.15261 A27 2.03688 0.00017 -0.00254 0.00932 0.00668 2.04357 A28 2.09511 -0.00189 0.01146 -0.01968 -0.00833 2.08678 A29 2.05974 0.00092 0.00626 0.00033 0.00677 2.06652 A30 2.04658 0.01177 0.00830 0.01611 0.02464 2.07123 A31 2.17368 -0.01275 -0.01693 -0.01477 -0.03154 2.14214 A32 1.86426 -0.01422 0.00437 -0.04573 -0.04017 1.82408 A33 1.95328 -0.00481 0.02402 -0.04423 -0.01831 1.93496 A34 1.85858 0.02062 0.03786 0.04556 0.08494 1.94352 A35 1.76853 0.00836 0.00630 0.00293 0.00923 1.77776 D1 1.17141 0.00132 0.03016 -0.08585 -0.05569 1.11572 D2 -3.02403 0.00093 0.03275 -0.09354 -0.06080 -3.08484 D3 -0.91774 0.00088 0.03095 -0.09115 -0.06021 -0.97795 D4 -2.99725 -0.00186 0.01227 -0.08507 -0.07275 -3.06999 D5 -0.90951 -0.00226 0.01486 -0.09277 -0.07786 -0.98736 D6 1.19679 -0.00231 0.01306 -0.09037 -0.07727 1.11953 D7 -0.94560 0.00001 0.03670 -0.10438 -0.06770 -1.01330 D8 1.14214 -0.00039 0.03929 -0.11207 -0.07282 1.06933 D9 -3.03474 -0.00044 0.03749 -0.10967 -0.07223 -3.10697 D10 -0.97654 0.00123 -0.01194 0.02547 0.01341 -0.96312 D11 -3.12006 -0.00107 -0.00857 0.02307 0.01452 -3.10554 D12 1.14774 0.00081 -0.01177 0.03187 0.02019 1.16793 D13 1.83271 0.00051 -0.00975 0.07556 0.06573 1.89843 D14 -1.14432 -0.00024 -0.02041 0.06898 0.04846 -1.09586 D15 -2.31672 0.00140 -0.02171 0.08392 0.06217 -2.25455 D16 0.98944 0.00065 -0.03237 0.07734 0.04490 1.03434 D17 -0.26245 0.00020 -0.02956 0.09149 0.06210 -0.20035 D18 3.04371 -0.00055 -0.04022 0.08491 0.04483 3.08854 D19 2.94008 0.00054 0.00476 0.01344 0.01819 2.95828 D20 -0.00230 0.00053 -0.00118 0.02126 0.02003 0.01773 D21 -0.16455 -0.00071 -0.00826 -0.00356 -0.01181 -0.17636 D22 -3.10694 -0.00072 -0.01421 0.00426 -0.00997 -3.11691 D23 -3.00900 -0.00037 0.00103 -0.03632 -0.03558 -3.04458 D24 0.05093 -0.00177 -0.02341 -0.01566 -0.03881 0.01212 D25 0.09264 0.00059 0.01506 -0.01832 -0.00327 0.08937 D26 -3.13062 -0.00080 -0.00939 0.00234 -0.00649 -3.13712 D27 -2.96468 -0.00077 -0.01808 0.00922 -0.00889 -2.97357 D28 0.14442 0.00035 -0.00177 0.01072 0.00885 0.15328 D29 -0.02060 -0.00072 -0.01251 0.00198 -0.01053 -0.03113 D30 3.08851 0.00040 0.00380 0.00348 0.00721 3.09571 D31 -3.02329 -0.00073 -0.00416 -0.00479 -0.00876 -3.03205 D32 -0.05217 0.00049 0.00646 0.00383 0.01031 -0.04187 D33 0.08411 0.00050 0.01300 -0.00310 0.00997 0.09408 D34 3.05523 0.00172 0.02362 0.00552 0.02903 3.08426 D35 2.97425 -0.00006 0.01097 -0.01907 -0.00811 2.96614 D36 -0.22321 0.00091 0.02050 0.00368 0.02443 -0.19878 D37 0.00246 -0.00100 0.00002 -0.02698 -0.02689 -0.02443 D38 3.08818 -0.00004 0.00954 -0.00423 0.00566 3.09384 D39 -0.02443 0.00031 -0.01128 0.03311 0.02186 -0.00257 D40 -3.07786 0.00050 0.01287 0.00917 0.02226 -3.05560 D41 -3.10837 -0.00076 -0.02082 0.00870 -0.01192 -3.12029 D42 0.12138 -0.00057 0.00333 -0.01523 -0.01152 0.10986 D43 1.05803 -0.00571 0.02021 -0.01503 0.00563 1.06366 D44 3.08573 0.00804 0.08516 -0.01115 0.07374 -3.12372 D45 -2.17111 -0.00639 -0.00391 0.00803 0.00439 -2.16671 D46 -0.14341 0.00736 0.06104 0.01191 0.07250 -0.07091 D47 -2.14962 -0.00049 0.07702 -0.09037 -0.01463 -2.16425 D48 2.04371 0.00174 0.02284 -0.03895 -0.01484 2.02887 Item Value Threshold Converged? Maximum Force 0.044894 0.000450 NO RMS Force 0.008170 0.000300 NO Maximum Displacement 0.228787 0.001800 NO RMS Displacement 0.053101 0.001200 NO Predicted change in Energy=-6.394569D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.950547 -4.963161 1.988155 2 6 0 6.988369 -5.027872 3.509097 3 8 0 6.827452 -6.250058 1.435498 4 8 0 2.801588 -1.682181 0.817620 5 6 0 3.637555 -2.517706 0.998492 6 7 0 4.959882 -2.244068 0.657465 7 6 0 6.086720 -2.965485 0.954709 8 8 0 7.188051 -2.511389 0.737037 9 7 0 5.842468 -4.175071 1.508973 10 6 0 4.526171 -4.605469 1.793781 11 6 0 3.451919 -3.861548 1.569800 12 1 0 7.840702 -4.485444 1.614176 13 1 0 7.874405 -5.567428 3.839630 14 1 0 7.025811 -4.029107 3.929976 15 1 0 5.133076 -1.336415 0.287369 16 1 0 4.411857 -5.588729 2.188679 17 7 0 2.182354 -4.252780 1.942834 18 1 0 6.112900 -5.537978 3.891119 19 1 0 7.526704 -6.795779 1.761106 20 8 0 1.424196 -4.204648 0.735368 21 8 0 2.196622 -5.483590 2.459072 22 1 0 0.719651 -3.625094 0.972041 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522788 0.000000 3 O 1.405947 2.412353 0.000000 4 O 5.417457 5.997236 6.120038 0.000000 5 C 4.235044 4.881807 4.929186 1.195682 0.000000 6 N 3.623113 4.471704 4.487885 2.235979 1.392741 7 C 2.409339 3.404602 3.401216 3.529555 2.490148 8 O 2.762768 3.749250 3.820409 4.464879 3.560116 9 N 1.441714 2.457816 2.298079 3.992420 2.805190 10 C 2.458317 3.030372 2.851129 3.531669 2.404346 11 C 3.691743 4.198531 4.137298 2.395485 1.471994 12 H 1.077241 2.147422 2.042661 5.821122 4.681614 13 H 2.155600 1.088775 2.709602 7.068321 5.943380 14 H 2.156106 1.084469 3.345802 5.747946 4.728447 15 H 4.398767 5.239132 5.322875 2.415898 2.034141 16 H 2.622307 2.948979 2.615289 4.442284 3.383382 17 N 4.821033 5.113877 5.081678 2.873593 2.453544 18 H 2.157161 1.082865 2.654754 5.939559 4.859699 19 H 1.934425 2.543771 0.944873 7.026078 5.831722 20 O 5.717112 6.271467 5.819713 2.875206 2.795347 21 O 4.805456 4.926568 4.804140 4.184621 3.606390 22 H 6.453447 6.906611 6.664118 2.851879 3.121085 6 7 8 9 10 6 N 0.000000 7 C 1.370606 0.000000 8 O 2.245558 1.210997 0.000000 9 N 2.287531 1.352763 2.274712 0.000000 10 C 2.656226 2.414312 3.547884 1.413859 0.000000 11 C 2.392186 2.850165 4.058954 2.411787 1.325745 12 H 3.773353 2.412805 2.256595 2.024930 3.321563 13 H 5.446590 4.276528 4.408689 3.391075 4.039992 14 H 4.261896 3.296270 3.539018 2.698678 3.338221 15 H 0.995389 2.002160 2.409499 3.170728 3.650250 16 H 3.719101 3.348023 4.391417 2.122988 1.065745 17 N 3.660842 4.228191 5.435384 3.686558 2.374886 18 H 4.757712 3.903962 4.501603 2.757766 2.790361 19 H 5.340850 4.170730 4.418077 3.125434 3.715068 20 O 4.043640 4.829365 6.007425 4.485584 3.301991 21 O 4.623408 4.872045 6.059187 3.988370 2.576918 22 H 4.470543 5.407478 6.567783 5.180157 4.015718 11 12 13 14 15 11 C 0.000000 12 H 4.433129 0.000000 13 H 5.255524 2.474766 0.000000 14 H 4.286164 2.497043 1.759178 0.000000 15 H 3.293512 4.359821 6.167245 4.909340 0.000000 16 H 2.070663 3.647502 3.836056 3.506749 4.713524 17 N 1.379860 5.672659 6.142115 5.240023 4.466824 18 H 3.908933 3.045915 1.762503 1.763975 5.621406 19 H 5.024956 2.336200 2.439263 3.550967 6.140522 20 O 2.219382 6.482492 7.286893 6.450924 4.709911 21 O 2.235529 5.793598 5.843816 5.253583 5.526130 22 H 2.806870 7.201522 7.948977 6.977124 5.018481 16 17 18 19 20 16 H 0.000000 17 N 2.610724 0.000000 18 H 2.407161 4.571296 0.000000 19 H 3.367798 5.921313 2.849186 0.000000 20 O 3.599154 1.426567 5.806934 6.708704 0.000000 21 O 2.234151 1.334765 4.170246 5.533423 2.281116 22 H 4.355280 1.864385 6.423962 7.550619 0.942486 21 22 21 O 0.000000 22 H 2.801199 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.475810 -0.485463 -0.096145 2 6 0 2.732828 -1.157511 1.245935 3 8 0 2.557621 -1.417006 -1.146012 4 8 0 -2.399753 1.825070 0.392900 5 6 0 -1.387446 1.229261 0.169508 6 7 0 -0.213405 1.942255 -0.060702 7 6 0 1.071585 1.471893 -0.138921 8 8 0 2.009926 2.236651 -0.173205 9 7 0 1.169960 0.122793 -0.153752 10 6 0 0.027728 -0.702938 -0.042070 11 6 0 -1.201273 -0.229711 0.110285 12 1 0 3.183598 0.311011 -0.254623 13 1 0 3.750428 -1.542864 1.283661 14 1 0 2.612052 -0.445869 2.055288 15 1 0 -0.290760 2.933231 -0.007958 16 1 0 0.181615 -1.755519 -0.106906 17 7 0 -2.294719 -1.045599 0.316965 18 1 0 2.047283 -1.981970 1.397231 19 1 0 3.395207 -1.852792 -1.109614 20 8 0 -3.202356 -0.698334 -0.727398 21 8 0 -1.946903 -2.332545 0.250703 22 1 0 -3.975954 -0.465249 -0.242117 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0454295 0.5469726 0.3948750 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 955.5314481696 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.69D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999942 -0.008440 0.000931 -0.006551 Ang= -1.23 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.408855242 A.U. after 13 cycles NFock= 13 Conv=0.84D-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 6 0.001951795 -0.001463304 -0.001580984 2 6 0.000341638 -0.000572315 0.001101386 3 8 -0.001862817 0.003052079 -0.001969049 4 8 0.000722437 0.004432579 -0.001351332 5 6 -0.001143237 -0.006104026 0.001735368 6 7 0.002233806 -0.000095351 0.001294317 7 6 -0.000374188 0.003570625 -0.003062259 8 8 -0.000169682 -0.000926585 -0.000068739 9 7 -0.005283247 -0.004377478 0.004724116 10 6 0.008152579 0.001215150 -0.002906773 11 6 0.016044409 0.011942602 -0.008344257 12 1 0.000326000 0.000398285 0.000291023 13 1 -0.000299026 0.000010260 0.000022705 14 1 0.000368964 -0.000215532 -0.000165376 15 1 0.000242395 0.001060996 -0.000476679 16 1 -0.001132120 -0.000001313 0.000983632 17 7 -0.009257184 -0.003332884 0.014800419 18 1 -0.000027323 0.000444438 0.000544510 19 1 0.001287205 -0.000770712 0.001448999 20 8 -0.005119914 -0.002859919 -0.006954468 21 8 -0.004150287 -0.007002810 0.001380795 22 1 -0.002852203 0.001595215 -0.001447355 ------------------------------------------------------------------- Cartesian Forces: Max 0.016044409 RMS 0.004307058 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.025062841 RMS 0.003171547 Search for a local minimum. Step number 10 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 8 9 10 DE= -6.37D-03 DEPred=-6.39D-03 R= 9.96D-01 TightC=F SS= 1.41D+00 RLast= 3.19D-01 DXNew= 3.3560D+00 9.5689D-01 Trust test= 9.96D-01 RLast= 3.19D-01 DXMaxT set to 2.00D+00 ITU= 1 0 1 -1 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00248 0.00383 0.00480 0.01354 0.01449 Eigenvalues --- 0.01475 0.01638 0.01837 0.01954 0.02036 Eigenvalues --- 0.02058 0.02321 0.02426 0.02811 0.05093 Eigenvalues --- 0.05331 0.05640 0.05708 0.08144 0.09070 Eigenvalues --- 0.15474 0.15740 0.15801 0.15960 0.16003 Eigenvalues --- 0.16021 0.16121 0.17985 0.19932 0.22115 Eigenvalues --- 0.22831 0.23870 0.24289 0.24528 0.24853 Eigenvalues --- 0.25073 0.26494 0.29829 0.32335 0.33411 Eigenvalues --- 0.34779 0.34830 0.34839 0.34851 0.34879 Eigenvalues --- 0.35517 0.37490 0.40275 0.42536 0.42949 Eigenvalues --- 0.43985 0.46130 0.47313 0.48856 0.49651 Eigenvalues --- 0.57546 0.62693 0.83626 0.91540 0.97554 RFO step: Lambda=-2.44375887D-03 EMin= 2.48427641D-03 Quartic linear search produced a step of 0.09813. Iteration 1 RMS(Cart)= 0.04074213 RMS(Int)= 0.00087767 Iteration 2 RMS(Cart)= 0.00117243 RMS(Int)= 0.00008304 Iteration 3 RMS(Cart)= 0.00000102 RMS(Int)= 0.00008303 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00008303 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87765 0.00153 0.00055 0.00274 0.00329 2.88094 R2 2.65686 -0.00183 -0.00021 -0.00327 -0.00348 2.65337 R3 2.72445 0.00102 0.00042 0.00136 0.00178 2.72622 R4 2.03569 0.00034 0.00004 0.00028 0.00033 2.03602 R5 2.05749 -0.00024 -0.00008 -0.00050 -0.00058 2.05691 R6 2.04935 -0.00025 -0.00015 -0.00051 -0.00067 2.04868 R7 2.04632 0.00000 0.00005 -0.00057 -0.00052 2.04580 R8 1.78555 0.00190 0.00555 0.00050 0.00605 1.79160 R9 2.25951 0.00280 0.00056 0.00098 0.00154 2.26105 R10 2.63190 0.00183 0.00038 0.00864 0.00899 2.64089 R11 2.78167 0.00043 0.00019 -0.00330 -0.00312 2.77854 R12 2.59007 -0.00164 0.00012 -0.00392 -0.00383 2.58624 R13 1.88101 0.00119 0.00072 0.00221 0.00293 1.88394 R14 2.28845 -0.00049 -0.00021 -0.00215 -0.00236 2.28609 R15 2.55635 0.00232 0.00133 0.01010 0.01144 2.56779 R16 2.67181 -0.00360 -0.00131 -0.01186 -0.01314 2.65867 R17 2.50530 0.00397 -0.00032 0.00159 0.00129 2.50659 R18 2.01397 0.00049 0.00113 0.00297 0.00410 2.01807 R19 2.60756 0.02506 0.00139 0.04087 0.04226 2.64982 R20 2.69582 0.01131 0.00126 0.02425 0.02551 2.72133 R21 2.52234 0.00695 0.00239 0.00309 0.00548 2.52782 R22 1.78104 0.00275 0.00587 0.00169 0.00755 1.78859 A1 1.93466 0.00086 0.00038 0.00346 0.00386 1.93852 A2 1.95442 0.00108 0.00074 0.00543 0.00617 1.96059 A3 1.92310 -0.00082 -0.00009 -0.00578 -0.00588 1.91722 A4 1.87801 -0.00168 -0.00191 -0.00830 -0.01021 1.86780 A5 1.91962 0.00018 0.00078 0.00294 0.00373 1.92335 A6 1.85178 0.00034 0.00007 0.00220 0.00228 1.85406 A7 1.92249 0.00004 0.00004 -0.00122 -0.00120 1.92128 A8 1.92767 -0.00031 -0.00029 -0.00649 -0.00678 1.92089 A9 1.93082 0.00086 0.00076 0.01127 0.01203 1.94285 A10 1.88650 -0.00007 -0.00028 -0.00198 -0.00228 1.88421 A11 1.89377 -0.00027 -0.00005 -0.00059 -0.00066 1.89311 A12 1.90164 -0.00027 -0.00020 -0.00120 -0.00139 1.90025 A13 1.90541 -0.00113 -0.00040 -0.00459 -0.00499 1.90042 A14 2.08228 -0.00435 -0.00091 -0.01213 -0.01304 2.06924 A15 2.22495 0.00409 0.00143 0.01543 0.01685 2.24180 A16 1.97593 0.00026 -0.00046 -0.00338 -0.00390 1.97203 A17 2.24473 0.00058 -0.00058 0.00382 0.00319 2.24792 A18 2.02128 -0.00018 0.00036 -0.00053 -0.00019 2.02108 A19 2.00153 -0.00034 0.00019 -0.00103 -0.00085 2.00069 A20 2.10754 0.00080 -0.00006 0.00350 0.00344 2.11098 A21 1.99441 -0.00004 0.00064 -0.00026 0.00039 1.99479 A22 2.18113 -0.00076 -0.00055 -0.00322 -0.00378 2.17736 A23 2.07851 -0.00126 0.00034 0.00257 0.00261 2.08112 A24 2.07395 0.00187 0.00059 0.00834 0.00865 2.08260 A25 2.12096 -0.00052 -0.00068 -0.00560 -0.00650 2.11446 A26 2.15261 0.00204 0.00027 0.00948 0.00978 2.16239 A27 2.04357 0.00014 0.00066 0.00771 0.00829 2.05186 A28 2.08678 -0.00217 -0.00082 -0.01699 -0.01788 2.06890 A29 2.06652 -0.00227 0.00066 -0.00217 -0.00148 2.06503 A30 2.07123 0.00419 0.00242 0.01266 0.01507 2.08630 A31 2.14214 -0.00194 -0.00310 -0.01014 -0.01327 2.12887 A32 1.82408 0.00163 -0.00394 -0.02212 -0.02616 1.79793 A33 1.93496 0.00554 -0.00180 0.01373 0.01167 1.94663 A34 1.94352 -0.00497 0.00833 -0.03001 -0.02170 1.92183 A35 1.77776 0.00406 0.00091 0.00953 0.01043 1.78819 D1 1.11572 0.00032 -0.00547 -0.05377 -0.05924 1.05647 D2 -3.08484 0.00006 -0.00597 -0.06109 -0.06706 3.13129 D3 -0.97795 0.00008 -0.00591 -0.05948 -0.06540 -1.04335 D4 -3.06999 -0.00050 -0.00714 -0.05828 -0.06541 -3.13541 D5 -0.98736 -0.00076 -0.00764 -0.06560 -0.07322 -1.06059 D6 1.11953 -0.00073 -0.00758 -0.06399 -0.07157 1.04795 D7 -1.01330 0.00007 -0.00664 -0.05589 -0.06254 -1.07584 D8 1.06933 -0.00019 -0.00715 -0.06321 -0.07035 0.99898 D9 -3.10697 -0.00017 -0.00709 -0.06159 -0.06869 3.10752 D10 -0.96312 0.00070 0.00132 0.03642 0.03773 -0.92539 D11 -3.10554 -0.00007 0.00143 0.03300 0.03443 -3.07111 D12 1.16793 0.00037 0.00198 0.03344 0.03543 1.20336 D13 1.89843 0.00021 0.00645 0.06129 0.06784 1.96628 D14 -1.09586 -0.00043 0.00476 0.02196 0.02664 -1.06922 D15 -2.25455 0.00084 0.00610 0.06342 0.06959 -2.18495 D16 1.03434 0.00019 0.00441 0.02408 0.02839 1.06273 D17 -0.20035 0.00038 0.00609 0.06386 0.07004 -0.13031 D18 3.08854 -0.00026 0.00440 0.02452 0.02883 3.11737 D19 2.95828 -0.00009 0.00179 0.00173 0.00364 2.96191 D20 0.01773 -0.00041 0.00197 -0.01245 -0.01040 0.00733 D21 -0.17636 0.00019 -0.00116 0.01281 0.01165 -0.16471 D22 -3.11691 -0.00013 -0.00098 -0.00137 -0.00238 -3.11930 D23 -3.04458 0.00041 -0.00349 0.00838 0.00496 -3.03962 D24 0.01212 0.00003 -0.00381 0.01226 0.00857 0.02068 D25 0.08937 0.00006 -0.00032 -0.00394 -0.00418 0.08519 D26 -3.13712 -0.00032 -0.00064 -0.00006 -0.00058 -3.13769 D27 -2.97357 -0.00053 -0.00087 -0.02391 -0.02479 -2.99836 D28 0.15328 -0.00056 0.00087 -0.02206 -0.02119 0.13209 D29 -0.03113 -0.00020 -0.00103 -0.00983 -0.01084 -0.04197 D30 3.09571 -0.00023 0.00071 -0.00797 -0.00724 3.08848 D31 -3.03205 -0.00035 -0.00086 -0.01941 -0.02012 -3.05217 D32 -0.04187 0.00052 0.00101 0.02227 0.02320 -0.01867 D33 0.09408 -0.00037 0.00098 -0.01740 -0.01630 0.07779 D34 3.08426 0.00050 0.00285 0.02428 0.02702 3.11129 D35 2.96614 0.00038 -0.00080 0.02483 0.02398 2.99012 D36 -0.19878 0.00065 0.00240 0.03496 0.03745 -0.16132 D37 -0.02443 -0.00022 -0.00264 -0.01625 -0.01887 -0.04330 D38 3.09384 0.00005 0.00056 -0.00613 -0.00539 3.08845 D39 -0.00257 -0.00013 0.00214 0.00579 0.00799 0.00542 D40 -3.05560 -0.00005 0.00218 0.00055 0.00281 -3.05279 D41 -3.12029 -0.00044 -0.00117 -0.00490 -0.00595 -3.12624 D42 0.10986 -0.00036 -0.00113 -0.01014 -0.01112 0.09874 D43 1.06366 0.00142 0.00055 0.01172 0.01232 1.07598 D44 -3.12372 -0.00065 0.00724 -0.02990 -0.02271 3.13676 D45 -2.16671 0.00103 0.00043 0.01626 0.01673 -2.14998 D46 -0.07091 -0.00104 0.00711 -0.02537 -0.01829 -0.08920 D47 -2.16425 0.00263 -0.00144 -0.03227 -0.03344 -2.19770 D48 2.02887 -0.00236 -0.00146 -0.01977 -0.02149 2.00738 Item Value Threshold Converged? Maximum Force 0.025063 0.000450 NO RMS Force 0.003172 0.000300 NO Maximum Displacement 0.180997 0.001800 NO RMS Displacement 0.040936 0.001200 NO Predicted change in Energy=-1.294725D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.955397 -4.947380 1.998932 2 6 0 6.988465 -5.063374 3.518682 3 8 0 6.836638 -6.211160 1.398712 4 8 0 2.809800 -1.660988 0.785590 5 6 0 3.634038 -2.505304 0.984005 6 7 0 4.961850 -2.236432 0.641028 7 6 0 6.087615 -2.953624 0.943193 8 8 0 7.188560 -2.515352 0.699626 9 7 0 5.844600 -4.153004 1.533798 10 6 0 4.531615 -4.573054 1.814896 11 6 0 3.453265 -3.837327 1.579775 12 1 0 7.846551 -4.452239 1.650357 13 1 0 7.841998 -5.663208 3.829235 14 1 0 7.090770 -4.080467 3.964481 15 1 0 5.135374 -1.335425 0.251206 16 1 0 4.403418 -5.546752 2.234324 17 7 0 2.172011 -4.251470 1.971066 18 1 0 6.086935 -5.527734 3.897651 19 1 0 7.519645 -6.776090 1.735167 20 8 0 1.435972 -4.241742 0.733347 21 8 0 2.190821 -5.486177 2.485349 22 1 0 0.693663 -3.692699 0.941579 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524529 0.000000 3 O 1.404104 2.415520 0.000000 4 O 5.427573 6.042124 6.106996 0.000000 5 C 4.245614 4.921431 4.915485 1.196498 0.000000 6 N 3.628687 4.514383 4.459526 2.232343 1.397501 7 C 2.417167 3.449017 3.373437 3.527012 2.494533 8 O 2.767187 3.805198 3.777773 4.462159 3.565893 9 N 1.442655 2.465150 2.288753 3.997496 2.811365 10 C 2.459413 3.029754 2.858274 3.536134 2.402418 11 C 3.697680 4.214283 4.137037 2.404419 1.470342 12 H 1.077415 2.144863 2.043784 5.823037 4.688266 13 H 2.156033 1.088468 2.686716 7.113688 5.981188 14 H 2.152498 1.084117 3.344789 5.855419 4.828392 15 H 4.406047 5.292254 5.289977 2.408288 2.039515 16 H 2.631968 2.926721 2.657112 4.442703 3.377225 17 N 4.833824 5.123723 5.091829 2.919371 2.482118 18 H 2.167065 1.082591 2.697003 5.947795 4.862213 19 H 1.931872 2.529126 0.948076 7.017735 5.822525 20 O 5.706460 6.266047 5.786926 2.924111 2.812390 21 O 4.819553 4.925843 4.825971 4.231358 3.636277 22 H 6.473139 6.938641 6.654904 2.937723 3.171358 6 7 8 9 10 6 N 0.000000 7 C 1.368581 0.000000 8 O 2.244875 1.209747 0.000000 9 N 2.291186 1.358817 2.276835 0.000000 10 C 2.650069 2.409057 3.540808 1.406907 0.000000 11 C 2.391639 2.850608 4.058905 2.412519 1.326429 12 H 3.774922 2.416564 2.255742 2.027543 3.321215 13 H 5.495698 4.330005 4.486695 3.396961 4.025498 14 H 4.356386 3.377022 3.621937 2.732475 3.378259 15 H 0.996938 2.001043 2.410162 3.175972 3.645804 16 H 3.716000 3.350799 4.393370 2.123741 1.067915 17 N 3.689523 4.251221 5.458611 3.699840 2.386533 18 H 4.764879 3.918528 4.529392 2.745252 2.769170 19 H 5.324279 4.158027 4.397255 3.118799 3.713227 20 O 4.057290 4.831259 6.006149 4.481584 3.295834 21 O 4.651984 4.896639 6.082105 4.004110 2.600503 22 H 4.519786 5.444350 6.605177 5.205262 4.033309 11 12 13 14 15 11 C 0.000000 12 H 4.436671 0.000000 13 H 5.258791 2.492784 0.000000 14 H 4.356303 2.462639 1.757187 0.000000 15 H 3.294556 4.361494 6.233603 5.014702 0.000000 16 H 2.062367 3.659801 3.792247 3.516432 4.712090 17 N 1.402225 5.687140 6.131440 5.310098 4.499195 18 H 3.894385 3.050126 1.761613 1.762593 5.637152 19 H 5.019554 2.348265 2.393228 3.524225 6.122722 20 O 2.224739 6.479254 7.255498 6.514827 4.729134 21 O 2.265509 5.809778 5.811469 5.307857 5.557924 22 H 2.836127 7.227936 7.957396 7.085991 5.075643 16 17 18 19 20 16 H 0.000000 17 N 2.593499 0.000000 18 H 2.366696 4.546120 0.000000 19 H 3.386931 5.918323 2.878783 0.000000 20 O 3.572355 1.440068 5.770446 6.666157 0.000000 21 O 2.227615 1.337663 4.144397 5.533807 2.277702 22 H 4.344074 1.886155 6.418185 7.532006 0.946483 21 22 21 O 0.000000 22 H 2.800227 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.476523 -0.490422 -0.085412 2 6 0 2.736025 -1.226813 1.224006 3 8 0 2.548031 -1.366787 -1.180116 4 8 0 -2.393272 1.857326 0.395961 5 6 0 -1.390483 1.242350 0.177272 6 7 0 -0.207298 1.951500 -0.046756 7 6 0 1.074497 1.478209 -0.124290 8 8 0 2.015537 2.236524 -0.178037 9 7 0 1.171166 0.122841 -0.120097 10 6 0 0.025972 -0.688136 -0.018916 11 6 0 -1.204865 -0.215314 0.125624 12 1 0 3.188392 0.309820 -0.202374 13 1 0 3.730570 -1.668999 1.213357 14 1 0 2.687226 -0.533848 2.056309 15 1 0 -0.281473 2.944640 -0.001406 16 1 0 0.163332 -1.745890 -0.071180 17 7 0 -2.305860 -1.059928 0.327300 18 1 0 2.011672 -2.015683 1.382125 19 1 0 3.373549 -1.831871 -1.147479 20 8 0 -3.185960 -0.710078 -0.757515 21 8 0 -1.958403 -2.348749 0.240376 22 1 0 -3.992789 -0.504208 -0.307543 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0324163 0.5465857 0.3934919 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 953.2434728373 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.79D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999988 -0.004848 -0.000158 0.001108 Ang= -0.57 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410335522 A.U. after 13 cycles NFock= 13 Conv=0.63D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000658509 -0.001366757 -0.001650243 2 6 0.000056116 0.000554398 0.000086840 3 8 0.002430467 -0.000861985 0.000257114 4 8 -0.000046779 0.000707059 -0.000576362 5 6 -0.000157836 -0.001874533 0.001773823 6 7 0.001238752 -0.000592014 0.001622511 7 6 -0.000637371 -0.000294413 -0.002157603 8 8 0.000617651 -0.000215815 0.000366782 9 7 -0.001892949 0.001614918 0.003463215 10 6 0.003387371 -0.000476034 -0.000613318 11 6 0.006200787 0.004219507 -0.003040742 12 1 0.000011877 0.000216296 -0.000244240 13 1 -0.000026900 0.000109341 -0.000103019 14 1 -0.000027455 0.000147598 0.000311756 15 1 -0.000455770 -0.000429735 -0.000013658 16 1 -0.000553152 0.000503601 0.000041057 17 7 -0.004574254 -0.001589719 0.004229115 18 1 -0.000018904 -0.000055199 -0.000091298 19 1 -0.001558819 0.000544039 -0.000409690 20 8 -0.005541385 0.000674571 -0.003593896 21 8 0.000953491 -0.000604474 0.000970594 22 1 0.001253569 -0.000930652 -0.000628738 ------------------------------------------------------------------- Cartesian Forces: Max 0.006200787 RMS 0.001826332 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.008222636 RMS 0.001220210 Search for a local minimum. Step number 11 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 9 10 11 DE= -1.48D-03 DEPred=-1.29D-03 R= 1.14D+00 TightC=F SS= 1.41D+00 RLast= 2.77D-01 DXNew= 3.3560D+00 8.3020D-01 Trust test= 1.14D+00 RLast= 2.77D-01 DXMaxT set to 2.00D+00 ITU= 1 1 0 1 -1 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00249 0.00417 0.00479 0.01255 0.01390 Eigenvalues --- 0.01449 0.01628 0.01830 0.01952 0.02037 Eigenvalues --- 0.02054 0.02307 0.02438 0.02809 0.05071 Eigenvalues --- 0.05332 0.05580 0.05744 0.08183 0.09195 Eigenvalues --- 0.14836 0.15777 0.15869 0.15959 0.16003 Eigenvalues --- 0.16035 0.16146 0.18186 0.20050 0.21347 Eigenvalues --- 0.23816 0.23885 0.24132 0.24787 0.25060 Eigenvalues --- 0.25528 0.26279 0.29750 0.31534 0.33436 Eigenvalues --- 0.34711 0.34832 0.34850 0.34866 0.34904 Eigenvalues --- 0.35479 0.37126 0.40254 0.42446 0.42939 Eigenvalues --- 0.43834 0.45908 0.47029 0.48781 0.49803 Eigenvalues --- 0.57743 0.66870 0.73180 0.90376 0.97198 RFO step: Lambda=-6.20827904D-04 EMin= 2.48823712D-03 Quartic linear search produced a step of 0.26822. Iteration 1 RMS(Cart)= 0.02817852 RMS(Int)= 0.00035547 Iteration 2 RMS(Cart)= 0.00069770 RMS(Int)= 0.00011936 Iteration 3 RMS(Cart)= 0.00000013 RMS(Int)= 0.00011936 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88094 0.00015 0.00088 0.00004 0.00092 2.88186 R2 2.65337 0.00028 -0.00093 0.00119 0.00026 2.65363 R3 2.72622 -0.00004 0.00048 -0.00001 0.00046 2.72669 R4 2.03602 0.00019 0.00009 0.00052 0.00061 2.03663 R5 2.05691 -0.00011 -0.00016 -0.00036 -0.00051 2.05639 R6 2.04868 0.00026 -0.00018 0.00093 0.00075 2.04944 R7 2.04580 0.00001 -0.00014 -0.00008 -0.00022 2.04558 R8 1.79160 -0.00159 0.00162 -0.00157 0.00005 1.79165 R9 2.26105 0.00063 0.00041 0.00055 0.00096 2.26201 R10 2.64089 0.00027 0.00241 0.00274 0.00510 2.64599 R11 2.77854 -0.00186 -0.00084 -0.00832 -0.00919 2.76935 R12 2.58624 -0.00098 -0.00103 -0.00237 -0.00342 2.58282 R13 1.88394 -0.00046 0.00078 -0.00079 -0.00000 1.88394 R14 2.28609 0.00041 -0.00063 -0.00018 -0.00081 2.28528 R15 2.56779 -0.00086 0.00307 0.00119 0.00429 2.57208 R16 2.65867 -0.00160 -0.00352 -0.00692 -0.01039 2.64828 R17 2.50659 0.00150 0.00035 0.00115 0.00152 2.50811 R18 2.01807 -0.00038 0.00110 0.00052 0.00162 2.01968 R19 2.64982 0.00822 0.01134 0.01343 0.02476 2.67459 R20 2.72133 0.00582 0.00684 0.01706 0.02390 2.74524 R21 2.52782 0.00094 0.00147 -0.00164 -0.00017 2.52765 R22 1.78859 -0.00166 0.00203 -0.00180 0.00022 1.78882 A1 1.93852 0.00028 0.00103 0.00339 0.00443 1.94294 A2 1.96059 -0.00095 0.00165 -0.00382 -0.00219 1.95840 A3 1.91722 0.00020 -0.00158 -0.00248 -0.00407 1.91315 A4 1.86780 0.00085 -0.00274 0.00808 0.00534 1.87314 A5 1.92335 -0.00035 0.00100 -0.00119 -0.00017 1.92317 A6 1.85406 -0.00004 0.00061 -0.00409 -0.00349 1.85057 A7 1.92128 -0.00015 -0.00032 -0.00152 -0.00185 1.91943 A8 1.92089 0.00038 -0.00182 0.00180 -0.00002 1.92087 A9 1.94285 -0.00018 0.00323 0.00063 0.00386 1.94671 A10 1.88421 -0.00008 -0.00061 -0.00037 -0.00099 1.88322 A11 1.89311 0.00011 -0.00018 -0.00028 -0.00046 1.89265 A12 1.90025 -0.00007 -0.00037 -0.00031 -0.00068 1.89957 A13 1.90042 0.00063 -0.00134 0.00616 0.00482 1.90524 A14 2.06924 -0.00054 -0.00350 0.00040 -0.00316 2.06608 A15 2.24180 0.00083 0.00452 0.00363 0.00809 2.24989 A16 1.97203 -0.00029 -0.00105 -0.00366 -0.00484 1.96719 A17 2.24792 0.00086 0.00085 0.00457 0.00527 2.25318 A18 2.02108 -0.00073 -0.00005 -0.00331 -0.00347 2.01761 A19 2.00069 -0.00007 -0.00023 0.00239 0.00207 2.00275 A20 2.11098 0.00092 0.00092 0.00461 0.00548 2.11646 A21 1.99479 -0.00052 0.00010 -0.00236 -0.00224 1.99255 A22 2.17736 -0.00040 -0.00101 -0.00240 -0.00346 2.17389 A23 2.08112 -0.00100 0.00070 -0.00055 -0.00054 2.08058 A24 2.08260 0.00095 0.00232 0.00612 0.00777 2.09037 A25 2.11446 0.00010 -0.00174 -0.00087 -0.00314 2.11132 A26 2.16239 0.00047 0.00262 0.00214 0.00486 2.16724 A27 2.05186 0.00039 0.00222 0.00630 0.00847 2.06033 A28 2.06890 -0.00086 -0.00480 -0.00846 -0.01332 2.05558 A29 2.06503 -0.00059 -0.00040 0.00114 0.00075 2.06578 A30 2.08630 0.00146 0.00404 0.00507 0.00908 2.09537 A31 2.12887 -0.00089 -0.00356 -0.00717 -0.01075 2.11812 A32 1.79793 0.00391 -0.00702 0.00703 -0.00003 1.79790 A33 1.94663 -0.00197 0.00313 -0.01799 -0.01495 1.93168 A34 1.92183 -0.00012 -0.00582 0.00797 0.00212 1.92394 A35 1.78819 0.00046 0.00280 -0.00133 0.00147 1.78966 D1 1.05647 -0.00025 -0.01589 0.00372 -0.01217 1.04430 D2 3.13129 -0.00021 -0.01799 0.00343 -0.01455 3.11674 D3 -1.04335 -0.00017 -0.01754 0.00467 -0.01287 -1.05622 D4 -3.13541 0.00038 -0.01755 0.01379 -0.00376 -3.13917 D5 -1.06059 0.00042 -0.01964 0.01350 -0.00614 -1.06672 D6 1.04795 0.00046 -0.01920 0.01474 -0.00446 1.04350 D7 -1.07584 -0.00014 -0.01677 0.00465 -0.01212 -1.08796 D8 0.99898 -0.00010 -0.01887 0.00436 -0.01450 0.98448 D9 3.10752 -0.00006 -0.01842 0.00560 -0.01282 3.09470 D10 -0.92539 0.00006 0.01012 0.02891 0.03904 -0.88635 D11 -3.07111 0.00050 0.00923 0.02624 0.03546 -3.03566 D12 1.20336 0.00026 0.00950 0.02724 0.03674 1.24010 D13 1.96628 0.00008 0.01820 0.01984 0.03815 2.00443 D14 -1.06922 -0.00050 0.00715 -0.02965 -0.02261 -1.09183 D15 -2.18495 0.00042 0.01867 0.02717 0.04594 -2.13901 D16 1.06273 -0.00017 0.00761 -0.02232 -0.01481 1.04792 D17 -0.13031 0.00041 0.01879 0.02772 0.04660 -0.08371 D18 3.11737 -0.00017 0.00773 -0.02178 -0.01415 3.10322 D19 2.96191 0.00029 0.00098 0.02986 0.03077 2.99268 D20 0.00733 -0.00010 -0.00279 0.00468 0.00188 0.00921 D21 -0.16471 0.00011 0.00312 0.00600 0.00915 -0.15556 D22 -3.11930 -0.00028 -0.00064 -0.01918 -0.01973 -3.13903 D23 -3.03962 0.00002 0.00133 -0.01226 -0.01093 -3.05055 D24 0.02068 -0.00032 0.00230 -0.02553 -0.02330 -0.00261 D25 0.08519 0.00021 -0.00112 0.01445 0.01337 0.09856 D26 -3.13769 -0.00014 -0.00015 0.00118 0.00101 -3.13668 D27 -2.99836 -0.00014 -0.00665 -0.01422 -0.02083 -3.01919 D28 0.13209 -0.00047 -0.00568 -0.02836 -0.03405 0.09804 D29 -0.04197 0.00019 -0.00291 0.01020 0.00736 -0.03461 D30 3.08848 -0.00014 -0.00194 -0.00394 -0.00586 3.08261 D31 -3.05217 -0.00021 -0.00540 -0.02036 -0.02558 -3.07776 D32 -0.01867 0.00044 0.00622 0.03050 0.03661 0.01794 D33 0.07779 -0.00054 -0.00437 -0.03506 -0.03924 0.03855 D34 3.11129 0.00010 0.00725 0.01580 0.02295 3.13424 D35 2.99012 0.00049 0.00643 0.03828 0.04474 3.03486 D36 -0.16132 0.00035 0.01005 0.03619 0.04628 -0.11504 D37 -0.04330 -0.00004 -0.00506 -0.01222 -0.01729 -0.06058 D38 3.08845 -0.00017 -0.00145 -0.01431 -0.01575 3.07270 D39 0.00542 -0.00034 0.00214 -0.01214 -0.01000 -0.00458 D40 -3.05279 -0.00010 0.00075 0.00086 0.00155 -3.05124 D41 -3.12624 -0.00020 -0.00159 -0.01011 -0.01165 -3.13788 D42 0.09874 0.00004 -0.00298 0.00289 -0.00010 0.09864 D43 1.07598 0.00003 0.00330 0.02325 0.02654 1.10253 D44 3.13676 0.00120 -0.00609 0.02812 0.02203 -3.12440 D45 -2.14998 -0.00031 0.00449 0.00990 0.01439 -2.13559 D46 -0.08920 0.00086 -0.00491 0.01478 0.00988 -0.07932 D47 -2.19770 -0.00003 -0.00897 -0.01773 -0.02663 -2.22433 D48 2.00738 0.00017 -0.00576 -0.00439 -0.01022 1.99716 Item Value Threshold Converged? Maximum Force 0.008223 0.000450 NO RMS Force 0.001220 0.000300 NO Maximum Displacement 0.122033 0.001800 NO RMS Displacement 0.028162 0.001200 NO Predicted change in Energy=-3.800607D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.951633 -4.944325 2.003425 2 6 0 7.004819 -5.080066 3.521455 3 8 0 6.822374 -6.197398 1.382950 4 8 0 2.812821 -1.647856 0.756468 5 6 0 3.633503 -2.489038 0.983884 6 7 0 4.967282 -2.225245 0.649212 7 6 0 6.089624 -2.945768 0.947975 8 8 0 7.193472 -2.522278 0.693769 9 7 0 5.841627 -4.132283 1.567037 10 6 0 4.529531 -4.546427 1.833190 11 6 0 3.450981 -3.816457 1.577410 12 1 0 7.840755 -4.445880 1.653377 13 1 0 7.854467 -5.695661 3.810093 14 1 0 7.129768 -4.104292 3.977995 15 1 0 5.140915 -1.331276 0.243557 16 1 0 4.385437 -5.514380 2.262810 17 7 0 2.160658 -4.246631 1.968786 18 1 0 6.103682 -5.535642 3.911521 19 1 0 7.485496 -6.783200 1.723538 20 8 0 1.431489 -4.278401 0.712726 21 8 0 2.213272 -5.471220 2.504244 22 1 0 0.665392 -3.757276 0.906578 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.525015 0.000000 3 O 1.404239 2.419694 0.000000 4 O 5.436117 6.082603 6.096501 0.000000 5 C 4.251810 4.951612 4.907146 1.197006 0.000000 6 N 3.628352 4.533358 4.444968 2.233066 1.400200 7 C 2.418939 3.466354 3.361432 3.529686 2.498484 8 O 2.764054 3.817548 3.757551 4.467510 3.571925 9 N 1.442900 2.463951 2.293568 4.000383 2.813563 10 C 2.460463 3.043363 2.861040 3.536684 2.399382 11 C 3.702450 4.243322 4.131947 2.405000 1.465479 12 H 1.077739 2.142591 2.044028 5.823530 4.688115 13 H 2.154917 1.088196 2.684768 7.150352 6.007198 14 H 2.153210 1.084516 3.348110 5.920164 4.878280 15 H 4.407943 5.317159 5.273013 2.404853 2.039801 16 H 2.641516 2.938363 2.679427 4.437588 3.369532 17 N 4.841634 5.154735 5.087268 2.940861 2.495684 18 H 2.170140 1.082473 2.710740 5.991578 4.894348 19 H 1.935151 2.522741 0.948101 7.010055 5.815907 20 O 5.708008 6.292347 5.761371 2.971492 2.850301 21 O 4.793798 4.913923 4.798797 4.246445 3.636201 22 H 6.490684 6.983959 6.639996 3.013907 3.228635 6 7 8 9 10 6 N 0.000000 7 C 1.366771 0.000000 8 O 2.246360 1.209316 0.000000 9 N 2.289908 1.361087 2.276444 0.000000 10 C 2.642218 2.404080 3.534408 1.401409 0.000000 11 C 2.385933 2.848986 4.057334 2.411440 1.327234 12 H 3.767813 2.411305 2.245009 2.025416 3.317627 13 H 5.510970 4.343766 4.496526 3.395140 4.035354 14 H 4.391806 3.406626 3.645951 2.733643 3.399544 15 H 0.996938 2.000709 2.415403 3.176199 3.638395 16 H 3.709535 3.351240 4.393133 2.124802 1.068770 17 N 3.701948 4.262754 5.470674 3.704593 2.391615 18 H 4.784642 3.935766 4.541137 2.744940 2.788540 19 H 5.317005 4.156422 4.393308 3.123165 3.708492 20 O 4.089172 4.850719 6.023685 4.494499 3.305321 21 O 4.643498 4.881187 6.064360 3.979456 2.582753 22 H 4.573796 5.484755 6.647280 5.231658 4.051288 11 12 13 14 15 11 C 0.000000 12 H 4.435320 0.000000 13 H 5.282705 2.492703 0.000000 14 H 4.402173 2.454798 1.756654 0.000000 15 H 3.288034 4.356316 6.255510 5.058773 0.000000 16 H 2.055705 3.667741 3.802778 3.530093 4.706006 17 N 1.415330 5.692336 6.157074 5.361831 4.511944 18 H 3.929439 3.050282 1.761006 1.762394 5.661941 19 H 5.010013 2.365206 2.381721 3.519327 6.116444 20 O 2.244865 6.480091 7.270279 6.569831 4.760831 21 O 2.264770 5.783067 5.794713 5.311531 5.551661 22 H 2.865837 7.246911 7.991904 7.165345 5.133748 16 17 18 19 20 16 H 0.000000 17 N 2.577456 0.000000 18 H 2.381400 4.580743 0.000000 19 H 3.392800 5.903239 2.872818 0.000000 20 O 3.557557 1.452716 5.800201 6.629236 0.000000 21 O 2.185967 1.337573 4.137616 5.488820 2.289878 22 H 4.331918 1.898308 6.462760 7.505829 0.946601 21 22 21 O 0.000000 22 H 2.808215 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.473346 -0.492074 -0.091594 2 6 0 2.761550 -1.242196 1.204525 3 8 0 2.526808 -1.350899 -1.201301 4 8 0 -2.397412 1.874255 0.385444 5 6 0 -1.394857 1.250298 0.189530 6 7 0 -0.205225 1.954693 -0.032198 7 6 0 1.073718 1.480621 -0.119520 8 8 0 2.018221 2.232432 -0.191216 9 7 0 1.168216 0.123208 -0.086989 10 6 0 0.021812 -0.677479 0.005783 11 6 0 -1.210837 -0.202538 0.134463 12 1 0 3.181092 0.312153 -0.209222 13 1 0 3.753073 -1.688663 1.163053 14 1 0 2.739784 -0.556049 2.044111 15 1 0 -0.280884 2.948295 -0.001940 16 1 0 0.144916 -1.738278 -0.036887 17 7 0 -2.315622 -1.064973 0.331480 18 1 0 2.038643 -2.029127 1.377422 19 1 0 3.338639 -1.840038 -1.177444 20 8 0 -3.186973 -0.740531 -0.784704 21 8 0 -1.933601 -2.345015 0.263260 22 1 0 -4.011583 -0.560523 -0.356137 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0271075 0.5459738 0.3929910 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.0659556061 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.92D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999999 -0.000247 -0.001245 -0.000517 Ang= -0.16 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410672897 A.U. after 13 cycles NFock= 13 Conv=0.79D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000069748 -0.000495318 -0.000660407 2 6 0.000065674 0.000362713 -0.000101820 3 8 0.001435468 -0.000438173 0.000425344 4 8 0.000399395 0.000089545 0.001169436 5 6 0.000066410 -0.001734924 -0.002988821 6 7 0.000404132 0.000828454 0.001317955 7 6 -0.000448471 -0.000716200 0.000897980 8 8 0.000451509 0.000266568 -0.000620650 9 7 -0.000039989 0.001725796 0.000399452 10 6 0.000468652 -0.001433959 0.000356146 11 6 -0.000244965 0.001592495 0.000096496 12 1 -0.000174608 -0.000226628 -0.000246833 13 1 0.000122667 -0.000020714 0.000092849 14 1 -0.000163889 -0.000081856 -0.000027697 15 1 -0.000199908 -0.000458220 -0.000073334 16 1 0.000223349 0.000618526 -0.000183490 17 7 -0.000223801 -0.000172227 0.000455922 18 1 -0.000307498 -0.000202940 -0.000275509 19 1 -0.001444572 0.001060432 -0.000264506 20 8 -0.000674126 -0.000151319 0.000056638 21 8 -0.001654297 0.000338344 -0.000379403 22 1 0.001869120 -0.000750395 0.000554252 ------------------------------------------------------------------- Cartesian Forces: Max 0.002988821 RMS 0.000799679 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002647539 RMS 0.000615607 Search for a local minimum. Step number 12 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 10 11 12 DE= -3.37D-04 DEPred=-3.80D-04 R= 8.88D-01 TightC=F SS= 1.41D+00 RLast= 1.72D-01 DXNew= 3.3560D+00 5.1695D-01 Trust test= 8.88D-01 RLast= 1.72D-01 DXMaxT set to 2.00D+00 ITU= 1 1 1 0 1 -1 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00251 0.00400 0.00473 0.00996 0.01377 Eigenvalues --- 0.01457 0.01659 0.01863 0.01945 0.02051 Eigenvalues --- 0.02116 0.02283 0.02457 0.02834 0.05170 Eigenvalues --- 0.05328 0.05557 0.05767 0.08162 0.09367 Eigenvalues --- 0.14946 0.15862 0.15956 0.15993 0.16028 Eigenvalues --- 0.16116 0.16404 0.18214 0.19951 0.21902 Eigenvalues --- 0.23783 0.24104 0.24447 0.24883 0.25065 Eigenvalues --- 0.25518 0.27779 0.29891 0.33428 0.33780 Eigenvalues --- 0.34696 0.34840 0.34851 0.34882 0.35004 Eigenvalues --- 0.35548 0.37737 0.40272 0.42839 0.43139 Eigenvalues --- 0.43612 0.45969 0.46949 0.48695 0.49814 Eigenvalues --- 0.57731 0.66816 0.69417 0.90623 0.97102 RFO step: Lambda=-2.74445886D-04 EMin= 2.51124844D-03 Quartic linear search produced a step of -0.08934. Iteration 1 RMS(Cart)= 0.02362052 RMS(Int)= 0.00024349 Iteration 2 RMS(Cart)= 0.00035526 RMS(Int)= 0.00004802 Iteration 3 RMS(Cart)= 0.00000007 RMS(Int)= 0.00004802 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88186 -0.00033 -0.00008 -0.00041 -0.00049 2.88137 R2 2.65363 -0.00063 -0.00002 -0.00143 -0.00145 2.65218 R3 2.72669 -0.00060 -0.00004 -0.00149 -0.00153 2.72515 R4 2.03663 -0.00017 -0.00005 -0.00023 -0.00028 2.03635 R5 2.05639 0.00013 0.00005 0.00012 0.00017 2.05656 R6 2.04944 -0.00010 -0.00007 -0.00006 -0.00013 2.04931 R7 2.04558 0.00024 0.00002 0.00055 0.00057 2.04615 R8 1.79165 -0.00176 -0.00000 -0.00120 -0.00120 1.79045 R9 2.26201 -0.00043 -0.00009 -0.00010 -0.00019 2.26183 R10 2.64599 -0.00040 -0.00046 0.00145 0.00100 2.64700 R11 2.76935 -0.00049 0.00082 -0.00407 -0.00325 2.76611 R12 2.58282 -0.00065 0.00031 -0.00266 -0.00235 2.58047 R13 1.88394 -0.00042 0.00000 -0.00063 -0.00063 1.88331 R14 2.28528 0.00064 0.00007 0.00016 0.00024 2.28551 R15 2.57208 -0.00083 -0.00038 0.00063 0.00024 2.57232 R16 2.64828 0.00035 0.00093 -0.00375 -0.00283 2.64545 R17 2.50811 0.00059 -0.00014 0.00140 0.00126 2.50937 R18 2.01968 -0.00066 -0.00014 -0.00058 -0.00072 2.01896 R19 2.67459 0.00104 -0.00221 0.01301 0.01080 2.68538 R20 2.74524 -0.00111 -0.00214 0.00708 0.00494 2.75018 R21 2.52765 -0.00053 0.00002 -0.00066 -0.00065 2.52700 R22 1.78882 -0.00181 -0.00002 -0.00101 -0.00103 1.78779 A1 1.94294 0.00005 -0.00040 0.00075 0.00035 1.94330 A2 1.95840 -0.00077 0.00020 -0.00483 -0.00463 1.95377 A3 1.91315 0.00044 0.00036 0.00277 0.00313 1.91628 A4 1.87314 0.00029 -0.00048 0.00055 0.00007 1.87320 A5 1.92317 -0.00021 0.00002 -0.00010 -0.00009 1.92308 A6 1.85057 0.00019 0.00031 0.00082 0.00114 1.85171 A7 1.91943 0.00019 0.00017 0.00074 0.00090 1.92033 A8 1.92087 0.00011 0.00000 0.00055 0.00055 1.92142 A9 1.94671 -0.00060 -0.00034 -0.00202 -0.00237 1.94434 A10 1.88322 -0.00002 0.00009 0.00047 0.00055 1.88377 A11 1.89265 0.00016 0.00004 0.00033 0.00037 1.89301 A12 1.89957 0.00018 0.00006 0.00002 0.00008 1.89965 A13 1.90524 -0.00022 -0.00043 0.00042 -0.00001 1.90523 A14 2.06608 -0.00026 0.00028 -0.00326 -0.00324 2.06285 A15 2.24989 -0.00048 -0.00072 0.00222 0.00123 2.25112 A16 1.96719 0.00074 0.00043 0.00130 0.00152 1.96870 A17 2.25318 0.00005 -0.00047 0.00257 0.00207 2.25525 A18 2.01761 -0.00008 0.00031 -0.00100 -0.00079 2.01682 A19 2.00275 0.00007 -0.00018 0.00186 0.00158 2.00434 A20 2.11646 -0.00012 -0.00049 0.00170 0.00118 2.11764 A21 1.99255 -0.00038 0.00020 -0.00196 -0.00176 1.99078 A22 2.17389 0.00051 0.00031 0.00052 0.00080 2.17470 A23 2.08058 -0.00001 0.00005 -0.00003 -0.00004 2.08055 A24 2.09037 -0.00075 -0.00069 -0.00005 -0.00080 2.08957 A25 2.11132 0.00076 0.00028 0.00136 0.00159 2.11292 A26 2.16724 -0.00048 -0.00043 0.00083 0.00040 2.16764 A27 2.06033 0.00011 -0.00076 0.00325 0.00249 2.06282 A28 2.05558 0.00037 0.00119 -0.00405 -0.00287 2.05272 A29 2.06578 -0.00062 -0.00007 -0.00073 -0.00079 2.06499 A30 2.09537 -0.00084 -0.00081 0.00182 0.00101 2.09638 A31 2.11812 0.00146 0.00096 -0.00093 0.00003 2.11814 A32 1.79790 -0.00089 0.00000 -0.00469 -0.00468 1.79322 A33 1.93168 0.00265 0.00134 0.00494 0.00628 1.93796 A34 1.92394 -0.00118 -0.00019 -0.00215 -0.00233 1.92161 A35 1.78966 -0.00185 -0.00013 -0.00964 -0.00977 1.77988 D1 1.04430 0.00005 0.00109 0.00522 0.00631 1.05061 D2 3.11674 0.00022 0.00130 0.00658 0.00789 3.12463 D3 -1.05622 0.00011 0.00115 0.00564 0.00679 -1.04944 D4 -3.13917 -0.00007 0.00034 0.00312 0.00345 -3.13571 D5 -1.06672 0.00009 0.00055 0.00448 0.00503 -1.06169 D6 1.04350 -0.00001 0.00040 0.00353 0.00393 1.04743 D7 -1.08796 -0.00002 0.00108 0.00295 0.00403 -1.08393 D8 0.98448 0.00014 0.00130 0.00432 0.00561 0.99009 D9 3.09470 0.00004 0.00115 0.00337 0.00451 3.09921 D10 -0.88635 -0.00016 -0.00349 0.02653 0.02304 -0.86331 D11 -3.03566 0.00057 -0.00317 0.03170 0.02853 -3.00712 D12 1.24010 0.00029 -0.00328 0.03048 0.02720 1.26730 D13 2.00443 0.00035 -0.00341 0.04577 0.04235 2.04677 D14 -1.09183 0.00020 0.00202 0.01369 0.01572 -1.07611 D15 -2.13901 0.00012 -0.00410 0.04404 0.03992 -2.09909 D16 1.04792 -0.00003 0.00132 0.01196 0.01330 1.06122 D17 -0.08371 0.00012 -0.00416 0.04460 0.04042 -0.04329 D18 3.10322 -0.00003 0.00126 0.01252 0.01380 3.11702 D19 2.99268 -0.00037 -0.00275 -0.00470 -0.00736 2.98532 D20 0.00921 -0.00073 -0.00017 -0.03275 -0.03284 -0.02363 D21 -0.15556 0.00057 -0.00082 0.03145 0.03064 -0.12492 D22 -3.13903 0.00021 0.00176 0.00340 0.00516 -3.13387 D23 -3.05055 0.00046 0.00098 0.01880 0.01984 -3.03071 D24 -0.00261 0.00062 0.00208 0.02065 0.02280 0.02018 D25 0.09856 -0.00060 -0.00119 -0.02205 -0.02323 0.07534 D26 -3.13668 -0.00044 -0.00009 -0.02019 -0.02027 3.12623 D27 -3.01919 -0.00054 0.00186 -0.03471 -0.03286 -3.05205 D28 0.09804 -0.00022 0.00304 -0.02339 -0.02033 0.07771 D29 -0.03461 -0.00019 -0.00066 -0.00708 -0.00771 -0.04232 D30 3.08261 0.00013 0.00052 0.00425 0.00482 3.08744 D31 -3.07776 -0.00033 0.00229 -0.02720 -0.02494 -3.10270 D32 0.01794 -0.00022 -0.00327 0.00524 0.00198 0.01992 D33 0.03855 -0.00001 0.00351 -0.01543 -0.01193 0.02661 D34 3.13424 0.00010 -0.00205 0.01701 0.01499 -3.13395 D35 3.03486 0.00033 -0.00400 0.03305 0.02904 3.06389 D36 -0.11504 0.00036 -0.00413 0.03684 0.03272 -0.08233 D37 -0.06058 0.00020 0.00154 0.00043 0.00195 -0.05863 D38 3.07270 0.00023 0.00141 0.00422 0.00563 3.07833 D39 -0.00458 0.00026 0.00089 0.00871 0.00962 0.00504 D40 -3.05124 0.00022 -0.00014 0.00668 0.00657 -3.04467 D41 -3.13788 0.00023 0.00104 0.00490 0.00593 -3.13195 D42 0.09864 0.00020 0.00001 0.00286 0.00289 0.10153 D43 1.10253 0.00042 -0.00237 0.00256 0.00021 1.10273 D44 -3.12440 -0.00022 -0.00197 -0.00024 -0.00221 -3.12660 D45 -2.13559 0.00047 -0.00129 0.00449 0.00321 -2.13238 D46 -0.07932 -0.00017 -0.00088 0.00169 0.00079 -0.07853 D47 -2.22433 0.00113 0.00238 0.02287 0.02525 -2.19907 D48 1.99716 -0.00092 0.00091 0.02066 0.02157 2.01873 Item Value Threshold Converged? Maximum Force 0.002648 0.000450 NO RMS Force 0.000616 0.000300 NO Maximum Displacement 0.073756 0.001800 NO RMS Displacement 0.023690 0.001200 NO Predicted change in Energy=-1.438281D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.955571 -4.933458 2.005834 2 6 0 6.996322 -5.102158 3.520678 3 8 0 6.832193 -6.171870 1.357111 4 8 0 2.812094 -1.656958 0.727996 5 6 0 3.631472 -2.498729 0.957410 6 7 0 4.968299 -2.224471 0.641623 7 6 0 6.091977 -2.936023 0.950987 8 8 0 7.194730 -2.518272 0.682346 9 7 0 5.845289 -4.115358 1.584402 10 6 0 4.535647 -4.531882 1.851046 11 6 0 3.453587 -3.811379 1.580226 12 1 0 7.844987 -4.425385 1.671170 13 1 0 7.847405 -5.718257 3.804306 14 1 0 7.108967 -4.136017 4.000167 15 1 0 5.137355 -1.336845 0.221197 16 1 0 4.392349 -5.491979 2.297291 17 7 0 2.159724 -4.240738 1.981389 18 1 0 6.093963 -5.572874 3.890244 19 1 0 7.479096 -6.770691 1.704416 20 8 0 1.436722 -4.303164 0.719897 21 8 0 2.209072 -5.453186 2.543274 22 1 0 0.682179 -3.761306 0.898992 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524753 0.000000 3 O 1.403471 2.419142 0.000000 4 O 5.434769 6.097232 6.077944 0.000000 5 C 4.251674 4.966931 4.888388 1.196908 0.000000 6 N 3.626146 4.547848 4.423572 2.231311 1.400730 7 C 2.418314 3.480416 3.344184 3.527515 2.499070 8 O 2.764406 3.843431 3.733031 4.466703 3.573912 9 N 1.442088 2.459231 2.292353 3.997178 2.812044 10 C 2.457897 3.027839 2.864901 3.535118 2.397879 11 C 3.701904 4.240570 4.127551 2.404026 1.463760 12 H 1.077589 2.144512 2.043183 5.820977 4.687768 13 H 2.155407 1.088286 2.687971 7.163253 6.020322 14 H 2.153324 1.084448 3.347693 5.942722 4.902250 15 H 4.407546 5.340404 5.247881 2.401282 2.039526 16 H 2.639507 2.903327 2.701671 4.434780 3.366565 17 N 4.845680 5.148217 5.094209 2.944910 2.499834 18 H 2.168461 1.082776 2.705651 6.008732 4.910778 19 H 1.934000 2.513141 0.947465 6.991749 5.797576 20 O 5.701631 6.276297 5.745364 2.982301 2.851197 21 O 4.805019 4.898602 4.826669 4.250908 3.642390 22 H 6.477228 6.967031 6.621432 2.999009 3.208713 6 7 8 9 10 6 N 0.000000 7 C 1.365528 0.000000 8 O 2.246102 1.209441 0.000000 9 N 2.287662 1.361213 2.277143 0.000000 10 C 2.640840 2.403963 3.534290 1.399912 0.000000 11 C 2.386128 2.850139 4.058875 2.410945 1.327900 12 H 3.765545 2.410375 2.244480 2.025448 3.315936 13 H 5.522532 4.354743 4.518022 3.392010 4.023737 14 H 4.417724 3.430999 3.692207 2.726395 3.376004 15 H 0.996603 2.000317 2.416862 3.174844 3.636856 16 H 3.708040 3.351743 4.393668 2.124695 1.068389 17 N 3.707883 4.269265 5.477745 3.709004 2.397241 18 H 4.799214 3.948698 4.564306 2.739178 2.769538 19 H 5.301108 4.146858 4.382757 3.120019 3.701035 20 O 4.098673 4.857353 6.028424 4.496454 3.306832 21 O 4.653409 4.893715 6.077299 3.991402 2.596330 22 H 4.560583 5.472633 6.633655 5.220425 4.043440 11 12 13 14 15 11 C 0.000000 12 H 4.435050 0.000000 13 H 5.280942 2.494352 0.000000 14 H 4.395828 2.459611 1.757024 0.000000 15 H 3.287150 4.355775 6.275334 5.099337 0.000000 16 H 2.054232 3.667473 3.776203 3.481153 4.704289 17 N 1.421043 5.696714 6.152708 5.346161 4.516321 18 H 3.925637 3.050755 1.761557 1.762632 5.685151 19 H 4.997766 2.373909 2.377564 3.514110 6.100031 20 O 2.247167 6.479639 7.253477 6.554576 4.768903 21 O 2.274161 5.794867 5.783707 5.278867 5.559780 22 H 2.854346 7.234852 7.975649 7.145718 5.117227 16 17 18 19 20 16 H 0.000000 17 N 2.578763 0.000000 18 H 2.332281 4.571275 0.000000 19 H 3.393318 5.896872 2.851526 0.000000 20 O 3.554881 1.455331 5.775219 6.600624 0.000000 21 O 2.197433 1.337229 4.113518 5.496603 2.289930 22 H 4.326180 1.893297 6.443351 7.476843 0.946055 21 22 21 O 0.000000 22 H 2.810254 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.472597 -0.494930 -0.089220 2 6 0 2.750759 -1.291236 1.180975 3 8 0 2.522238 -1.314804 -1.227233 4 8 0 -2.392934 1.881740 0.374202 5 6 0 -1.393761 1.254054 0.173574 6 7 0 -0.197593 1.957392 -0.017589 7 6 0 1.080246 1.482330 -0.095745 8 8 0 2.026215 2.231896 -0.173476 9 7 0 1.170603 0.124523 -0.062629 10 6 0 0.023629 -0.673907 0.019306 11 6 0 -1.210550 -0.197676 0.134747 12 1 0 3.184251 0.309239 -0.178987 13 1 0 3.741216 -1.739359 1.130527 14 1 0 2.724337 -0.635994 2.044681 15 1 0 -0.274125 2.950722 0.008036 16 1 0 0.143602 -1.734917 -0.017019 17 7 0 -2.321484 -1.061974 0.330134 18 1 0 2.023521 -2.081448 1.319153 19 1 0 3.319824 -1.825851 -1.207796 20 8 0 -3.178834 -0.743731 -0.801971 21 8 0 -1.947020 -2.344593 0.276759 22 1 0 -3.998134 -0.537863 -0.376074 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0244892 0.5462895 0.3929490 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 951.8954059154 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.86D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999992 -0.003652 0.000358 0.001262 Ang= -0.44 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410739906 A.U. after 13 cycles NFock= 13 Conv=0.54D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000381633 -0.000146455 0.000161821 2 6 0.000296527 -0.000011809 0.000074035 3 8 0.001118474 -0.000678049 0.000118448 4 8 -0.000866202 -0.000941431 -0.001332062 5 6 0.001538989 0.002068516 0.003016438 6 7 -0.000432213 0.000348111 0.000161256 7 6 -0.000384029 -0.002056953 -0.001807195 8 8 0.000129711 0.000571447 0.000655561 9 7 0.001113279 0.001648236 0.000196076 10 6 -0.001854823 -0.000329133 -0.000088897 11 6 -0.002083721 -0.002401650 0.000363870 12 1 -0.000105733 -0.000123980 -0.000119566 13 1 0.000066198 -0.000003536 0.000106131 14 1 -0.000134668 -0.000120236 -0.000033875 15 1 -0.000134660 -0.000138900 -0.000083905 16 1 0.000228642 0.000311173 0.000157821 17 7 0.001954355 0.000527252 -0.001532445 18 1 0.000156059 -0.000062702 -0.000067779 19 1 -0.000906377 0.000496511 -0.000165791 20 8 -0.000337595 0.000436239 0.001370630 21 8 0.000174855 0.001218414 -0.000822818 22 1 0.000844566 -0.000611063 -0.000327753 ------------------------------------------------------------------- Cartesian Forces: Max 0.003016438 RMS 0.000962681 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003245359 RMS 0.000510054 Search for a local minimum. Step number 13 out of a maximum of 115 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= -6.70D-05 DEPred=-1.44D-04 R= 4.66D-01 Trust test= 4.66D-01 RLast= 1.35D-01 DXMaxT set to 2.00D+00 ITU= 0 1 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00247 0.00378 0.00437 0.00780 0.01418 Eigenvalues --- 0.01469 0.01654 0.01888 0.01948 0.02051 Eigenvalues --- 0.02268 0.02356 0.02569 0.04007 0.05205 Eigenvalues --- 0.05432 0.05574 0.05753 0.08144 0.09309 Eigenvalues --- 0.15499 0.15884 0.15945 0.15992 0.16032 Eigenvalues --- 0.16112 0.16501 0.18168 0.20414 0.22300 Eigenvalues --- 0.23961 0.24012 0.24581 0.24884 0.25083 Eigenvalues --- 0.26010 0.27743 0.29938 0.33422 0.34102 Eigenvalues --- 0.34832 0.34845 0.34864 0.34912 0.35144 Eigenvalues --- 0.35986 0.37831 0.40271 0.42763 0.43136 Eigenvalues --- 0.44013 0.46674 0.47266 0.48844 0.49797 Eigenvalues --- 0.57685 0.64658 0.73435 0.90469 0.97054 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 13 12 RFO step: Lambda=-1.52612536D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.21267 -0.21267 Iteration 1 RMS(Cart)= 0.01050563 RMS(Int)= 0.00009519 Iteration 2 RMS(Cart)= 0.00010970 RMS(Int)= 0.00003460 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00003460 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88137 0.00011 -0.00011 0.00040 0.00029 2.88166 R2 2.65218 0.00016 -0.00031 -0.00011 -0.00042 2.65176 R3 2.72515 0.00047 -0.00033 0.00072 0.00040 2.72555 R4 2.03635 -0.00011 -0.00006 -0.00023 -0.00029 2.03605 R5 2.05656 0.00008 0.00004 0.00014 0.00018 2.05674 R6 2.04931 -0.00014 -0.00003 -0.00036 -0.00039 2.04892 R7 2.04615 -0.00013 0.00012 -0.00014 -0.00002 2.04613 R8 1.79045 -0.00099 -0.00026 -0.00100 -0.00126 1.78919 R9 2.26183 0.00019 -0.00004 0.00014 0.00010 2.26193 R10 2.64700 -0.00051 0.00021 -0.00084 -0.00061 2.64638 R11 2.76611 0.00001 -0.00069 0.00043 -0.00026 2.76585 R12 2.58047 0.00029 -0.00050 0.00018 -0.00032 2.58016 R13 1.88331 -0.00011 -0.00013 -0.00016 -0.00029 1.88302 R14 2.28551 0.00017 0.00005 0.00015 0.00020 2.28571 R15 2.57232 -0.00040 0.00005 -0.00055 -0.00052 2.57181 R16 2.64545 0.00103 -0.00060 0.00150 0.00088 2.64633 R17 2.50937 -0.00075 0.00027 -0.00045 -0.00019 2.50918 R18 2.01896 -0.00024 -0.00015 -0.00057 -0.00072 2.01824 R19 2.68538 -0.00325 0.00230 -0.00217 0.00012 2.68550 R20 2.75018 -0.00115 0.00105 -0.00151 -0.00046 2.74972 R21 2.52700 -0.00144 -0.00014 -0.00157 -0.00171 2.52529 R22 1.78779 -0.00109 -0.00022 -0.00109 -0.00130 1.78648 A1 1.94330 -0.00025 0.00007 -0.00040 -0.00032 1.94297 A2 1.95377 0.00039 -0.00099 0.00154 0.00055 1.95432 A3 1.91628 -0.00002 0.00067 0.00017 0.00084 1.91712 A4 1.87320 0.00008 0.00001 -0.00001 0.00000 1.87321 A5 1.92308 -0.00000 -0.00002 -0.00100 -0.00102 1.92207 A6 1.85171 -0.00020 0.00024 -0.00033 -0.00009 1.85162 A7 1.92033 0.00012 0.00019 0.00073 0.00092 1.92125 A8 1.92142 0.00003 0.00012 0.00025 0.00036 1.92178 A9 1.94434 -0.00006 -0.00050 -0.00065 -0.00116 1.94319 A10 1.88377 -0.00004 0.00012 0.00011 0.00023 1.88400 A11 1.89301 -0.00006 0.00008 -0.00028 -0.00020 1.89281 A12 1.89965 -0.00000 0.00002 -0.00014 -0.00012 1.89952 A13 1.90523 0.00008 -0.00000 -0.00029 -0.00030 1.90494 A14 2.06285 0.00073 -0.00069 0.00132 0.00043 2.06328 A15 2.25112 -0.00079 0.00026 -0.00088 -0.00082 2.25030 A16 1.96870 0.00009 0.00032 0.00069 0.00089 1.96959 A17 2.25525 -0.00014 0.00044 -0.00073 -0.00029 2.25496 A18 2.01682 -0.00005 -0.00017 0.00038 0.00015 2.01697 A19 2.00434 0.00020 0.00034 0.00111 0.00139 2.00573 A20 2.11764 -0.00025 0.00025 -0.00074 -0.00053 2.11711 A21 1.99078 0.00016 -0.00037 0.00021 -0.00018 1.99061 A22 2.17470 0.00009 0.00017 0.00035 0.00048 2.17518 A23 2.08055 0.00022 -0.00001 0.00034 0.00027 2.08082 A24 2.08957 -0.00006 -0.00017 -0.00025 -0.00049 2.08908 A25 2.11292 -0.00016 0.00034 0.00010 0.00037 2.11329 A26 2.16764 -0.00021 0.00008 -0.00055 -0.00047 2.16718 A27 2.06282 -0.00008 0.00053 -0.00062 -0.00009 2.06273 A28 2.05272 0.00029 -0.00061 0.00116 0.00055 2.05327 A29 2.06499 0.00023 -0.00017 -0.00061 -0.00075 2.06424 A30 2.09638 -0.00075 0.00021 -0.00106 -0.00086 2.09552 A31 2.11814 0.00052 0.00001 0.00147 0.00146 2.11960 A32 1.79322 0.00025 -0.00100 -0.00021 -0.00120 1.79201 A33 1.93796 -0.00046 0.00133 -0.00014 0.00120 1.93915 A34 1.92161 -0.00020 -0.00050 -0.00246 -0.00295 1.91866 A35 1.77988 0.00021 -0.00208 0.00107 -0.00101 1.77887 D1 1.05061 -0.00009 0.00134 0.00710 0.00844 1.05905 D2 3.12463 -0.00004 0.00168 0.00784 0.00951 3.13414 D3 -1.04944 -0.00006 0.00144 0.00739 0.00883 -1.04060 D4 -3.13571 0.00010 0.00073 0.00786 0.00860 -3.12711 D5 -1.06169 0.00016 0.00107 0.00860 0.00967 -1.05203 D6 1.04743 0.00014 0.00084 0.00816 0.00899 1.05642 D7 -1.08393 0.00009 0.00086 0.00851 0.00937 -1.07456 D8 0.99009 0.00014 0.00119 0.00925 0.01044 1.00053 D9 3.09921 0.00012 0.00096 0.00880 0.00976 3.10897 D10 -0.86331 0.00038 0.00490 0.00953 0.01443 -0.84888 D11 -3.00712 -0.00001 0.00607 0.00787 0.01394 -2.99318 D12 1.26730 0.00018 0.00578 0.00879 0.01457 1.28187 D13 2.04677 0.00014 0.00901 0.00985 0.01885 2.06562 D14 -1.07611 -0.00007 0.00334 -0.00165 0.00170 -1.07441 D15 -2.09909 0.00013 0.00849 0.01031 0.01879 -2.08030 D16 1.06122 -0.00008 0.00283 -0.00119 0.00164 1.06286 D17 -0.04329 0.00007 0.00860 0.00898 0.01757 -0.02572 D18 3.11702 -0.00014 0.00293 -0.00251 0.00042 3.11744 D19 2.98532 0.00091 -0.00157 0.02793 0.02639 3.01171 D20 -0.02363 0.00071 -0.00698 0.02047 0.01352 -0.01011 D21 -0.12492 -0.00024 0.00652 -0.00656 -0.00005 -0.12497 D22 -3.13387 -0.00044 0.00110 -0.01402 -0.01292 3.13639 D23 -3.03071 -0.00078 0.00422 -0.02488 -0.02064 -3.05134 D24 0.02018 -0.00079 0.00485 -0.02728 -0.02241 -0.00223 D25 0.07534 0.00056 -0.00494 0.01428 0.00935 0.08468 D26 3.12623 0.00054 -0.00431 0.01188 0.00757 3.13380 D27 -3.05205 0.00039 -0.00699 0.00845 0.00146 -3.05059 D28 0.07771 -0.00024 -0.00432 -0.00732 -0.01164 0.06607 D29 -0.04232 0.00057 -0.00164 0.01582 0.01418 -0.02813 D30 3.08744 -0.00006 0.00103 0.00005 0.00109 3.08853 D31 -3.10270 0.00021 -0.00530 0.00203 -0.00328 -3.10598 D32 0.01992 0.00042 0.00042 0.01368 0.01411 0.03403 D33 0.02661 -0.00044 -0.00254 -0.01434 -0.01688 0.00973 D34 -3.13395 -0.00023 0.00319 -0.00269 0.00050 -3.13345 D35 3.06389 0.00010 0.00618 0.00557 0.01174 3.07564 D36 -0.08233 0.00005 0.00696 0.00548 0.01244 -0.06989 D37 -0.05863 -0.00011 0.00042 -0.00614 -0.00573 -0.06436 D38 3.07833 -0.00016 0.00120 -0.00623 -0.00503 3.07330 D39 0.00504 -0.00040 0.00205 -0.00898 -0.00693 -0.00189 D40 -3.04467 -0.00032 0.00140 -0.00641 -0.00500 -3.04967 D41 -3.13195 -0.00035 0.00126 -0.00888 -0.00762 -3.13957 D42 0.10153 -0.00027 0.00061 -0.00632 -0.00569 0.09584 D43 1.10273 0.00022 0.00004 0.01051 0.01056 1.11329 D44 -3.12660 -0.00008 -0.00047 0.00747 0.00700 -3.11961 D45 -2.13238 0.00019 0.00068 0.00792 0.00860 -2.12378 D46 -0.07853 -0.00011 0.00017 0.00488 0.00504 -0.07349 D47 -2.19907 -0.00021 0.00537 0.01891 0.02428 -2.17479 D48 2.01873 0.00028 0.00459 0.02030 0.02488 2.04361 Item Value Threshold Converged? Maximum Force 0.003245 0.000450 NO RMS Force 0.000510 0.000300 NO Maximum Displacement 0.037932 0.001800 NO RMS Displacement 0.010521 0.001200 NO Predicted change in Energy=-7.689610D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.955442 -4.930305 2.006837 2 6 0 6.999868 -5.109801 3.520491 3 8 0 6.830114 -6.164058 1.350132 4 8 0 2.806791 -1.663793 0.714723 5 6 0 3.630400 -2.495587 0.964725 6 7 0 4.965897 -2.222519 0.643758 7 6 0 6.089682 -2.935947 0.947628 8 8 0 7.191830 -2.518145 0.676113 9 7 0 5.844555 -4.108705 1.593159 10 6 0 4.535108 -4.526106 1.861824 11 6 0 3.452347 -3.808533 1.586551 12 1 0 7.844195 -4.421061 1.672693 13 1 0 7.856153 -5.721029 3.799327 14 1 0 7.104322 -4.146587 4.007205 15 1 0 5.132787 -1.339434 0.213386 16 1 0 4.393483 -5.483374 2.313731 17 7 0 2.157315 -4.238610 1.983383 18 1 0 6.101641 -5.590915 3.886687 19 1 0 7.468882 -6.768673 1.700622 20 8 0 1.444316 -4.314890 0.717250 21 8 0 2.204946 -5.446581 2.552854 22 1 0 0.698925 -3.756347 0.878919 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524908 0.000000 3 O 1.403251 2.418829 0.000000 4 O 5.436080 6.109763 6.069865 0.000000 5 C 4.250853 4.971857 4.883071 1.196961 0.000000 6 N 3.626069 4.555110 4.417012 2.231356 1.400407 7 C 2.418455 3.489084 3.336308 3.528455 2.498455 8 O 2.764999 3.852794 3.725294 4.467659 3.573176 9 N 1.442298 2.459990 2.292349 3.997156 2.810616 10 C 2.458133 3.027692 2.865618 3.534935 2.397142 11 C 3.702254 4.244800 4.124767 2.403485 1.463625 12 H 1.077433 2.145136 2.042166 5.821999 4.686655 13 H 2.156281 1.088381 2.692134 7.174400 6.024569 14 H 2.153568 1.084243 3.347449 5.955962 4.904143 15 H 4.408275 5.351505 5.239285 2.401417 2.039207 16 H 2.638883 2.896389 2.707217 4.434368 3.365855 17 N 4.847785 5.154803 5.093467 2.942958 2.499154 18 H 2.167769 1.082766 2.700607 6.028241 4.921986 19 H 1.933129 2.506742 0.946799 6.983330 5.790920 20 O 5.693353 6.273293 5.729466 2.980715 2.854832 21 O 4.809562 4.903164 4.832545 4.248580 3.641763 22 H 6.464857 6.965028 6.603831 2.974700 3.192244 6 7 8 9 10 6 N 0.000000 7 C 1.365360 0.000000 8 O 2.245711 1.209548 0.000000 9 N 2.287160 1.360941 2.277280 0.000000 10 C 2.641170 2.404384 3.534966 1.400377 0.000000 11 C 2.386448 2.850468 4.059277 2.410977 1.327802 12 H 3.765221 2.410311 2.244959 2.025451 3.316151 13 H 5.527275 4.359965 4.522639 3.393125 4.026301 14 H 4.425796 3.443277 3.708862 2.723246 3.368613 15 H 0.996449 2.000903 2.417258 3.174783 3.637231 16 H 3.708051 3.351524 4.393759 2.124747 1.068007 17 N 3.707742 4.270039 5.478621 3.710106 2.398193 18 H 4.811715 3.960691 4.575830 2.742866 2.772709 19 H 5.296170 4.142340 4.381023 3.118560 3.696231 20 O 4.096944 4.851183 6.021951 4.491306 3.302674 21 O 4.654254 4.896040 6.080041 3.994707 2.598933 22 H 4.540372 5.453259 6.613023 5.206899 4.034220 11 12 13 14 15 11 C 0.000000 12 H 4.435194 0.000000 13 H 5.286542 2.492515 0.000000 14 H 4.394402 2.464284 1.757081 0.000000 15 H 3.287235 4.356345 6.282840 5.114697 0.000000 16 H 2.054171 3.666995 3.775389 3.464607 4.704280 17 N 1.421108 5.698282 6.162141 5.345765 4.515699 18 H 3.935260 3.050709 1.761498 1.762378 5.701483 19 H 4.990792 2.377587 2.377414 3.511206 6.094740 20 O 2.245945 6.471676 7.251764 6.548877 4.765714 21 O 2.274412 5.798922 5.793544 5.273424 5.560038 22 H 2.843377 7.219889 7.975880 7.139157 5.093479 16 17 18 19 20 16 H 0.000000 17 N 2.580507 0.000000 18 H 2.324556 4.583559 0.000000 19 H 3.389097 5.890155 2.834668 0.000000 20 O 3.551294 1.455087 5.776179 6.579017 0.000000 21 O 2.201869 1.336324 4.121186 5.493928 2.286641 22 H 4.323316 1.891908 6.449934 7.455308 0.945365 21 22 21 O 0.000000 22 H 2.815502 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.472682 -0.493373 -0.089751 2 6 0 2.756504 -1.301658 1.171782 3 8 0 2.517879 -1.302637 -1.235248 4 8 0 -2.396850 1.879756 0.365089 5 6 0 -1.393114 1.253013 0.185024 6 7 0 -0.198502 1.957479 -0.009315 7 6 0 1.078918 1.483068 -0.094991 8 8 0 2.024127 2.233726 -0.173098 9 7 0 1.170628 0.125889 -0.052416 10 6 0 0.024057 -0.674023 0.028661 11 6 0 -1.210616 -0.198510 0.140592 12 1 0 3.183761 0.311467 -0.176139 13 1 0 3.750195 -1.742351 1.117545 14 1 0 2.724126 -0.656829 2.042832 15 1 0 -0.277208 2.950654 0.008581 16 1 0 0.145478 -1.734579 -0.004734 17 7 0 -2.323352 -1.062067 0.329369 18 1 0 2.034743 -2.098564 1.299779 19 1 0 3.309047 -1.822402 -1.217209 20 8 0 -3.168919 -0.747486 -0.812266 21 8 0 -1.950882 -2.344511 0.280722 22 1 0 -3.984981 -0.518378 -0.393616 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0240612 0.5464692 0.3931272 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 951.9847265778 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.87D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999999 -0.000995 -0.000064 -0.000187 Ang= -0.12 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410811551 A.U. after 12 cycles NFock= 12 Conv=0.48D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000468117 0.000014370 0.000086435 2 6 0.000104405 0.000026618 -0.000055537 3 8 0.000680502 -0.000472165 -0.000110191 4 8 -0.000605391 -0.000057068 0.000459095 5 6 0.000726541 0.000050603 -0.001607316 6 7 -0.000683212 0.000323202 0.000616693 7 6 0.000068660 -0.000320351 0.000484468 8 8 -0.000024748 -0.000109529 -0.000195302 9 7 0.000994291 0.000713867 0.000029546 10 6 -0.001638851 0.000118772 -0.000120848 11 6 -0.001390794 -0.001851906 0.001904088 12 1 -0.000029307 0.000045876 -0.000010433 13 1 0.000013891 0.000023120 -0.000039681 14 1 -0.000068037 -0.000037185 0.000011981 15 1 -0.000013607 -0.000027898 -0.000121808 16 1 0.000136896 -0.000097866 -0.000042078 17 7 0.001731177 0.000728004 -0.001692941 18 1 0.000151895 -0.000036215 0.000035936 19 1 -0.000387251 -0.000070146 0.000016740 20 8 -0.000135912 0.000514823 0.001011450 21 8 0.000768926 0.000699072 -0.000270170 22 1 0.000068041 -0.000177998 -0.000390126 ------------------------------------------------------------------- Cartesian Forces: Max 0.001904088 RMS 0.000656676 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003124950 RMS 0.000425952 Search for a local minimum. Step number 14 out of a maximum of 115 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 14 DE= -7.16D-05 DEPred=-7.69D-05 R= 9.32D-01 TightC=F SS= 1.41D+00 RLast= 8.60D-02 DXNew= 3.3560D+00 2.5790D-01 Trust test= 9.32D-01 RLast= 8.60D-02 DXMaxT set to 2.00D+00 ITU= 1 0 1 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00217 0.00363 0.00421 0.00703 0.01415 Eigenvalues --- 0.01480 0.01648 0.01884 0.01948 0.02051 Eigenvalues --- 0.02292 0.02371 0.02624 0.05195 0.05330 Eigenvalues --- 0.05577 0.05739 0.05863 0.08168 0.09389 Eigenvalues --- 0.15316 0.15914 0.15954 0.15995 0.16045 Eigenvalues --- 0.16126 0.16826 0.18192 0.20463 0.22123 Eigenvalues --- 0.23978 0.24141 0.24279 0.24879 0.25080 Eigenvalues --- 0.26225 0.29674 0.30242 0.33415 0.34127 Eigenvalues --- 0.34736 0.34845 0.34860 0.34868 0.35093 Eigenvalues --- 0.36294 0.38360 0.40300 0.42532 0.43025 Eigenvalues --- 0.44320 0.45913 0.47982 0.48986 0.49955 Eigenvalues --- 0.58126 0.64898 0.77092 0.90476 0.97175 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 14 13 12 RFO step: Lambda=-6.33608357D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.48459 -0.18725 -0.29734 Iteration 1 RMS(Cart)= 0.01010263 RMS(Int)= 0.00010717 Iteration 2 RMS(Cart)= 0.00011353 RMS(Int)= 0.00002715 Iteration 3 RMS(Cart)= 0.00000002 RMS(Int)= 0.00002715 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88166 -0.00004 -0.00001 0.00026 0.00026 2.88192 R2 2.65176 0.00049 -0.00063 0.00108 0.00044 2.65220 R3 2.72555 0.00027 -0.00026 0.00101 0.00075 2.72630 R4 2.03605 0.00000 -0.00023 0.00007 -0.00015 2.03590 R5 2.05674 -0.00001 0.00014 -0.00009 0.00005 2.05679 R6 2.04892 -0.00003 -0.00023 -0.00013 -0.00036 2.04856 R7 2.04613 -0.00010 0.00016 -0.00031 -0.00015 2.04598 R8 1.78919 -0.00021 -0.00097 -0.00021 -0.00118 1.78801 R9 2.26193 0.00028 -0.00001 0.00037 0.00037 2.26230 R10 2.64638 -0.00052 0.00000 -0.00134 -0.00135 2.64504 R11 2.76585 0.00006 -0.00109 0.00137 0.00027 2.76612 R12 2.58016 0.00053 -0.00085 0.00136 0.00050 2.58066 R13 1.88302 0.00003 -0.00033 0.00013 -0.00020 1.88281 R14 2.28571 -0.00002 0.00017 0.00003 0.00020 2.28591 R15 2.57181 -0.00012 -0.00018 -0.00072 -0.00089 2.57092 R16 2.64633 0.00070 -0.00042 0.00215 0.00174 2.64807 R17 2.50918 -0.00079 0.00028 -0.00092 -0.00063 2.50855 R18 2.01824 0.00005 -0.00056 -0.00000 -0.00056 2.01768 R19 2.68550 -0.00312 0.00327 -0.00686 -0.00359 2.68191 R20 2.74972 -0.00053 0.00125 -0.00197 -0.00073 2.74899 R21 2.52529 -0.00072 -0.00102 -0.00034 -0.00136 2.52392 R22 1.78648 -0.00023 -0.00094 -0.00020 -0.00114 1.78534 A1 1.94297 -0.00021 -0.00005 -0.00014 -0.00020 1.94277 A2 1.95432 0.00017 -0.00111 0.00228 0.00117 1.95549 A3 1.91712 -0.00006 0.00134 -0.00192 -0.00058 1.91654 A4 1.87321 0.00024 0.00002 0.00177 0.00179 1.87500 A5 1.92207 0.00003 -0.00052 -0.00060 -0.00112 1.92095 A6 1.85162 -0.00016 0.00030 -0.00138 -0.00108 1.85054 A7 1.92125 -0.00009 0.00072 -0.00063 0.00008 1.92134 A8 1.92178 0.00004 0.00034 0.00039 0.00073 1.92251 A9 1.94319 0.00013 -0.00127 0.00081 -0.00045 1.94273 A10 1.88400 0.00002 0.00027 -0.00012 0.00015 1.88415 A11 1.89281 -0.00004 0.00001 -0.00038 -0.00037 1.89244 A12 1.89952 -0.00005 -0.00004 -0.00010 -0.00014 1.89938 A13 1.90494 0.00030 -0.00015 0.00100 0.00085 1.90579 A14 2.06328 0.00078 -0.00075 0.00229 0.00151 2.06479 A15 2.25030 -0.00066 -0.00003 -0.00221 -0.00227 2.24803 A16 1.96959 -0.00011 0.00088 -0.00011 0.00072 1.97031 A17 2.25496 -0.00010 0.00047 -0.00034 0.00004 2.25500 A18 2.01697 0.00005 -0.00016 0.00059 0.00034 2.01731 A19 2.00573 0.00006 0.00114 -0.00005 0.00101 2.00673 A20 2.11711 -0.00009 0.00009 -0.00061 -0.00053 2.11657 A21 1.99061 0.00018 -0.00061 0.00113 0.00053 1.99114 A22 2.17518 -0.00009 0.00047 -0.00044 0.00002 2.17520 A23 2.08082 0.00017 0.00012 -0.00010 -0.00012 2.08070 A24 2.08908 0.00010 -0.00047 0.00078 0.00017 2.08925 A25 2.11329 -0.00027 0.00065 -0.00068 -0.00012 2.11317 A26 2.16718 -0.00015 -0.00011 -0.00051 -0.00060 2.16658 A27 2.06273 -0.00008 0.00070 -0.00143 -0.00075 2.06199 A28 2.05327 0.00022 -0.00058 0.00194 0.00135 2.05462 A29 2.06424 0.00047 -0.00060 0.00099 0.00038 2.06462 A30 2.09552 -0.00061 -0.00012 -0.00141 -0.00153 2.09399 A31 2.11960 0.00015 0.00071 0.00055 0.00127 2.12087 A32 1.79201 0.00068 -0.00198 0.00623 0.00425 1.79627 A33 1.93915 -0.00131 0.00245 -0.00438 -0.00194 1.93722 A34 1.91866 0.00043 -0.00212 0.00241 0.00029 1.91895 A35 1.77887 0.00066 -0.00340 0.00689 0.00350 1.78237 D1 1.05905 -0.00011 0.00597 0.00560 0.01157 1.07062 D2 3.13414 -0.00012 0.00695 0.00530 0.01225 -3.13679 D3 -1.04060 -0.00008 0.00630 0.00597 0.01227 -1.02834 D4 -3.12711 0.00016 0.00519 0.00933 0.01452 -3.11259 D5 -1.05203 0.00015 0.00618 0.00903 0.01521 -1.03682 D6 1.05642 0.00019 0.00553 0.00969 0.01522 1.07164 D7 -1.07456 0.00004 0.00574 0.00778 0.01352 -1.06104 D8 1.00053 0.00003 0.00673 0.00748 0.01421 1.01474 D9 3.10897 0.00007 0.00607 0.00815 0.01422 3.12319 D10 -0.84888 0.00031 0.01384 0.00421 0.01805 -0.83083 D11 -2.99318 0.00007 0.01524 0.00029 0.01553 -2.97765 D12 1.28187 0.00011 0.01515 0.00126 0.01641 1.29827 D13 2.06562 -0.00000 0.02173 -0.01106 0.01066 2.07628 D14 -1.07441 -0.00005 0.00550 -0.00827 -0.00277 -1.07717 D15 -2.08030 0.00000 0.02098 -0.00862 0.01236 -2.06794 D16 1.06286 -0.00005 0.00475 -0.00582 -0.00107 1.06180 D17 -0.02572 0.00007 0.02054 -0.00914 0.01139 -0.01433 D18 3.11744 0.00001 0.00431 -0.00634 -0.00203 3.11541 D19 3.01171 -0.00006 0.01060 -0.00196 0.00864 3.02035 D20 -0.01011 -0.00024 -0.00322 -0.00425 -0.00746 -0.01757 D21 -0.12497 0.00025 0.00909 0.00406 0.01315 -0.11182 D22 3.13639 0.00007 -0.00473 0.00177 -0.00295 3.13345 D23 -3.05134 0.00010 -0.00410 0.00171 -0.00238 -3.05372 D24 -0.00223 0.00018 -0.00408 0.00327 -0.00080 -0.00303 D25 0.08468 -0.00025 -0.00238 -0.00509 -0.00746 0.07722 D26 3.13380 -0.00017 -0.00236 -0.00353 -0.00589 3.12791 D27 -3.05059 -0.00024 -0.00907 -0.00345 -0.01252 -3.06312 D28 0.06607 -0.00006 -0.01168 0.00000 -0.01168 0.05439 D29 -0.02813 -0.00007 0.00458 -0.00114 0.00346 -0.02468 D30 3.08853 0.00011 0.00196 0.00232 0.00430 3.09283 D31 -3.10598 -0.00014 -0.00901 -0.00016 -0.00917 -3.11515 D32 0.03403 -0.00009 0.00743 -0.00299 0.00444 0.03847 D33 0.00973 0.00004 -0.01173 0.00343 -0.00830 0.00143 D34 -3.13345 0.00009 0.00470 0.00059 0.00531 -3.12814 D35 3.07564 0.00010 0.01433 -0.00119 0.01313 3.08877 D36 -0.06989 0.00010 0.01576 -0.00180 0.01396 -0.05592 D37 -0.06436 0.00004 -0.00220 0.00165 -0.00055 -0.06491 D38 3.07330 0.00004 -0.00076 0.00105 0.00028 3.07358 D39 -0.00189 0.00015 -0.00050 0.00278 0.00228 0.00039 D40 -3.04967 0.00012 -0.00047 0.00131 0.00084 -3.04883 D41 -3.13957 0.00015 -0.00193 0.00339 0.00146 -3.13812 D42 0.09584 0.00012 -0.00190 0.00191 0.00001 0.09585 D43 1.11329 -0.00023 0.00518 -0.00708 -0.00189 1.11140 D44 -3.11961 0.00005 0.00273 -0.00282 -0.00009 -3.11969 D45 -2.12378 -0.00014 0.00512 -0.00545 -0.00032 -2.12410 D46 -0.07349 0.00014 0.00268 -0.00119 0.00149 -0.07200 D47 -2.17479 -0.00045 0.01928 0.01131 0.03060 -2.14419 D48 2.04361 0.00050 0.01847 0.01197 0.03043 2.07404 Item Value Threshold Converged? Maximum Force 0.003125 0.000450 NO RMS Force 0.000426 0.000300 NO Maximum Displacement 0.042268 0.001800 NO RMS Displacement 0.010108 0.001200 NO Predicted change in Energy=-3.187102D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.955256 -4.928135 2.008254 2 6 0 7.005557 -5.116959 3.520727 3 8 0 6.830168 -6.158387 1.344474 4 8 0 2.800477 -1.672617 0.700283 5 6 0 3.627420 -2.499040 0.957908 6 7 0 4.963209 -2.221176 0.645498 7 6 0 6.087415 -2.933508 0.951574 8 8 0 7.189150 -2.516868 0.676161 9 7 0 5.843544 -4.103100 1.602318 10 6 0 4.533499 -4.522495 1.869769 11 6 0 3.450556 -3.808290 1.588141 12 1 0 7.842752 -4.416654 1.674450 13 1 0 7.870714 -5.718282 3.793756 14 1 0 7.097274 -4.156104 4.014201 15 1 0 5.128665 -1.341661 0.207580 16 1 0 4.393752 -5.477466 2.326388 17 7 0 2.156273 -4.236198 1.982950 18 1 0 6.115002 -5.613283 3.885122 19 1 0 7.460100 -6.768746 1.699291 20 8 0 1.442051 -4.321185 0.718504 21 8 0 2.205527 -5.439591 2.560233 22 1 0 0.710640 -3.741254 0.864416 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.525044 0.000000 3 O 1.403485 2.418969 0.000000 4 O 5.437956 6.123813 6.064282 0.000000 5 C 4.251849 4.983307 4.878304 1.197155 0.000000 6 N 3.626703 4.563297 4.413131 2.231889 1.399693 7 C 2.418317 3.494423 3.332550 3.529441 2.498075 8 O 2.764668 3.858205 3.719700 4.469205 3.572901 9 N 1.442695 2.461398 2.294366 3.997646 2.810601 10 C 2.459396 3.031521 2.868233 3.534525 2.397257 11 C 3.703171 4.252709 4.123604 2.402497 1.463765 12 H 1.077352 2.144776 2.041530 5.822652 4.686118 13 H 2.156481 1.088407 2.697297 7.186395 6.034160 14 H 2.154071 1.084054 3.347824 5.967598 4.911891 15 H 4.409270 5.362140 5.233401 2.402654 2.038690 16 H 2.638992 2.894467 2.713657 4.433917 3.366158 17 N 4.848676 5.162950 5.093894 2.938057 2.496538 18 H 2.167507 1.082686 2.695087 6.054595 4.945215 19 H 1.933436 2.500527 0.946175 6.977150 5.785280 20 O 5.694495 6.279993 5.727037 2.976670 2.855409 21 O 4.808970 4.905805 4.835498 4.243049 3.638140 22 H 6.458505 6.969543 6.597091 2.945101 3.171662 6 7 8 9 10 6 N 0.000000 7 C 1.365627 0.000000 8 O 2.245704 1.209654 0.000000 9 N 2.287385 1.360472 2.276962 0.000000 10 C 2.641885 2.404707 3.535495 1.401300 0.000000 11 C 2.386551 2.850173 4.059134 2.411122 1.327468 12 H 3.764390 2.409042 2.243427 2.024933 3.316701 13 H 5.531262 4.360403 4.520286 3.394205 4.033439 14 H 4.432419 3.448803 3.719953 2.718792 3.362406 15 H 0.996341 2.001676 2.417908 3.175199 3.637967 16 H 3.708517 3.351169 4.393478 2.124867 1.067708 17 N 3.705129 4.267859 5.476646 3.709255 2.397078 18 H 4.829925 3.973368 4.586831 2.750552 2.784352 19 H 5.293895 4.141544 4.381629 3.119026 3.693196 20 O 4.100478 4.853800 6.023828 4.494645 3.304995 21 O 4.650721 4.892574 6.076886 3.992365 2.595623 22 H 4.521383 5.437808 6.595882 5.198282 4.029308 11 12 13 14 15 11 C 0.000000 12 H 4.434969 0.000000 13 H 5.296282 2.487262 0.000000 14 H 4.393779 2.469425 1.757044 0.000000 15 H 3.287287 4.355865 6.287631 5.127073 0.000000 16 H 2.054453 3.666872 3.781591 3.450181 4.704714 17 N 1.419207 5.697700 6.174984 5.342836 4.512804 18 H 3.953909 3.050264 1.761220 1.762070 5.722231 19 H 4.985288 2.383144 2.378836 3.509466 6.092130 20 O 2.247982 6.472397 7.262008 6.547551 4.767571 21 O 2.270727 5.797354 5.804618 5.262181 5.556324 22 H 2.834680 7.209671 7.984756 7.133186 5.070348 16 17 18 19 20 16 H 0.000000 17 N 2.581668 0.000000 18 H 2.326113 4.602842 0.000000 19 H 3.385727 5.884288 2.814648 0.000000 20 O 3.554548 1.454702 5.790808 6.570343 0.000000 21 O 2.201009 1.335603 4.131524 5.488024 2.285977 22 H 4.326327 1.893658 6.468097 7.444322 0.944760 21 22 21 O 0.000000 22 H 2.827513 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.473642 -0.490103 -0.091552 2 6 0 2.766698 -1.307624 1.162058 3 8 0 2.516866 -1.290086 -1.243911 4 8 0 -2.402943 1.874352 0.355256 5 6 0 -1.395784 1.250896 0.181721 6 7 0 -0.201404 1.957161 -0.002087 7 6 0 1.076749 1.483961 -0.087788 8 8 0 2.020665 2.236109 -0.168781 9 7 0 1.170728 0.127483 -0.042859 10 6 0 0.024468 -0.674787 0.035200 11 6 0 -1.210775 -0.200597 0.142385 12 1 0 3.182435 0.316939 -0.175112 13 1 0 3.766407 -1.734173 1.104885 14 1 0 2.723760 -0.673287 2.040092 15 1 0 -0.282468 2.950123 0.010223 16 1 0 0.148589 -1.734798 0.004059 17 7 0 -2.322718 -1.062494 0.329109 18 1 0 2.055957 -2.115824 1.279819 19 1 0 3.301631 -1.818376 -1.226586 20 8 0 -3.168751 -0.754038 -0.813363 21 8 0 -1.947705 -2.343632 0.285694 22 1 0 -3.977592 -0.497773 -0.397819 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0251220 0.5460487 0.3930128 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.0225255104 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.85D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999999 -0.000796 -0.000251 -0.000664 Ang= -0.12 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410854365 A.U. after 12 cycles NFock= 12 Conv=0.53D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000160390 0.000235504 0.000100054 2 6 -0.000112609 -0.000036453 -0.000176989 3 8 -0.000077848 0.000196442 -0.000358162 4 8 -0.000375228 -0.000054303 0.000081319 5 6 0.000532606 0.000152033 -0.000626885 6 7 -0.000700909 0.000129617 0.000321058 7 6 0.000384598 -0.000046042 0.000032939 8 8 -0.000191229 -0.000018451 -0.000061461 9 7 0.000508649 -0.000169921 0.000167856 10 6 -0.000629951 0.000192014 -0.000101870 11 6 -0.000986024 -0.001151742 0.000770435 12 1 0.000000703 0.000102943 0.000037993 13 1 -0.000001607 0.000004638 -0.000118387 14 1 0.000004535 0.000038503 0.000005994 15 1 0.000117601 0.000074727 -0.000093521 16 1 0.000060927 -0.000188682 0.000060117 17 7 0.000702647 0.000967948 -0.000978053 18 1 0.000007191 -0.000006048 0.000104794 19 1 0.000108246 -0.000448631 0.000304317 20 8 0.000841179 -0.000142922 0.000429382 21 8 0.000317644 -0.000187982 0.000000492 22 1 -0.000350731 0.000356810 0.000098576 ------------------------------------------------------------------- Cartesian Forces: Max 0.001151742 RMS 0.000383879 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001802492 RMS 0.000252248 Search for a local minimum. Step number 15 out of a maximum of 115 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 14 15 DE= -4.28D-05 DEPred=-3.19D-05 R= 1.34D+00 TightC=F SS= 1.41D+00 RLast= 7.88D-02 DXNew= 3.3560D+00 2.3627D-01 Trust test= 1.34D+00 RLast= 7.88D-02 DXMaxT set to 2.00D+00 ITU= 1 1 0 1 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00150 0.00368 0.00444 0.00708 0.01424 Eigenvalues --- 0.01495 0.01655 0.01864 0.01950 0.02051 Eigenvalues --- 0.02311 0.02385 0.02631 0.05197 0.05442 Eigenvalues --- 0.05576 0.05749 0.05840 0.08193 0.09548 Eigenvalues --- 0.14683 0.15946 0.15982 0.16008 0.16132 Eigenvalues --- 0.16288 0.17226 0.18289 0.20558 0.20752 Eigenvalues --- 0.23652 0.24073 0.24287 0.24877 0.25087 Eigenvalues --- 0.25865 0.29135 0.30119 0.33531 0.34141 Eigenvalues --- 0.34824 0.34854 0.34870 0.34987 0.35082 Eigenvalues --- 0.37460 0.39962 0.40747 0.42462 0.42982 Eigenvalues --- 0.44377 0.45561 0.47738 0.49147 0.49902 Eigenvalues --- 0.58190 0.68647 0.73572 0.90975 0.97266 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 15 14 13 12 RFO step: Lambda=-4.44331036D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.76741 -0.34649 -0.27002 -0.15090 Iteration 1 RMS(Cart)= 0.01334294 RMS(Int)= 0.00028420 Iteration 2 RMS(Cart)= 0.00028911 RMS(Int)= 0.00003544 Iteration 3 RMS(Cart)= 0.00000015 RMS(Int)= 0.00003544 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88192 -0.00019 0.00025 -0.00086 -0.00061 2.88130 R2 2.65220 0.00024 -0.00005 0.00078 0.00072 2.65292 R3 2.72630 -0.00026 0.00051 -0.00113 -0.00062 2.72568 R4 2.03590 0.00004 -0.00028 0.00028 -0.00001 2.03589 R5 2.05679 -0.00003 0.00014 -0.00016 -0.00002 2.05677 R6 2.04856 0.00004 -0.00046 0.00035 -0.00011 2.04845 R7 2.04598 0.00003 -0.00004 0.00013 0.00010 2.04608 R8 1.78801 0.00048 -0.00162 0.00125 -0.00036 1.78765 R9 2.26230 0.00020 0.00030 0.00023 0.00052 2.26282 R10 2.64504 -0.00037 -0.00114 -0.00089 -0.00204 2.64300 R11 2.76612 0.00012 -0.00039 0.00093 0.00053 2.76664 R12 2.58066 0.00037 -0.00010 0.00099 0.00089 2.58155 R13 1.88281 0.00013 -0.00037 0.00041 0.00003 1.88284 R14 2.28591 -0.00017 0.00027 -0.00021 0.00007 2.28598 R15 2.57092 0.00020 -0.00086 0.00021 -0.00064 2.57028 R16 2.64807 0.00023 0.00128 0.00055 0.00184 2.64991 R17 2.50855 -0.00038 -0.00037 -0.00045 -0.00082 2.50773 R18 2.01768 0.00019 -0.00085 0.00062 -0.00023 2.01745 R19 2.68191 -0.00180 -0.00108 -0.00309 -0.00416 2.67775 R20 2.74899 -0.00071 -0.00001 -0.00175 -0.00175 2.74723 R21 2.52392 0.00018 -0.00186 0.00220 0.00034 2.52426 R22 1.78534 0.00051 -0.00158 0.00124 -0.00034 1.78499 A1 1.94277 -0.00006 -0.00024 -0.00041 -0.00065 1.94212 A2 1.95549 -0.00003 0.00043 -0.00084 -0.00041 1.95508 A3 1.91654 -0.00003 0.00038 -0.00052 -0.00015 1.91639 A4 1.87500 0.00004 0.00138 -0.00002 0.00136 1.87636 A5 1.92095 0.00006 -0.00130 0.00133 0.00003 1.92098 A6 1.85054 0.00003 -0.00070 0.00057 -0.00013 1.85041 A7 1.92134 -0.00019 0.00059 -0.00190 -0.00131 1.92003 A8 1.92251 -0.00002 0.00079 -0.00007 0.00072 1.92323 A9 1.94273 0.00018 -0.00119 0.00162 0.00043 1.94316 A10 1.88415 0.00007 0.00029 0.00005 0.00034 1.88449 A11 1.89244 0.00001 -0.00031 0.00020 -0.00011 1.89233 A12 1.89938 -0.00005 -0.00015 0.00008 -0.00007 1.89931 A13 1.90579 0.00016 0.00053 0.00090 0.00143 1.90722 A14 2.06479 0.00039 0.00085 0.00106 0.00189 2.06668 A15 2.24803 -0.00036 -0.00190 -0.00093 -0.00285 2.24519 A16 1.97031 -0.00003 0.00116 -0.00017 0.00094 1.97125 A17 2.25500 -0.00006 0.00022 -0.00001 0.00007 2.25507 A18 2.01731 0.00013 0.00020 0.00092 0.00098 2.01829 A19 2.00673 -0.00006 0.00159 -0.00116 0.00030 2.00703 A20 2.11657 -0.00012 -0.00045 -0.00041 -0.00088 2.11570 A21 1.99114 0.00003 0.00007 0.00009 0.00017 1.99131 A22 2.17520 0.00009 0.00034 0.00033 0.00065 2.17585 A23 2.08070 0.00025 0.00002 0.00074 0.00059 2.08129 A24 2.08925 -0.00015 -0.00019 -0.00062 -0.00098 2.08828 A25 2.11317 -0.00010 0.00031 -0.00002 0.00018 2.11335 A26 2.16658 -0.00010 -0.00060 -0.00029 -0.00086 2.16571 A27 2.06199 -0.00004 -0.00023 -0.00074 -0.00099 2.06100 A28 2.05462 0.00014 0.00084 0.00103 0.00185 2.05647 A29 2.06462 0.00026 -0.00014 0.00052 0.00037 2.06500 A30 2.09399 -0.00048 -0.00138 -0.00142 -0.00279 2.09120 A31 2.12087 0.00022 0.00159 0.00089 0.00249 2.12335 A32 1.79627 -0.00032 0.00205 0.00043 0.00248 1.79875 A33 1.93722 -0.00040 -0.00004 -0.00179 -0.00182 1.93539 A34 1.91895 0.00030 -0.00137 0.00053 -0.00084 1.91812 A35 1.78237 -0.00007 0.00078 -0.00025 0.00054 1.78290 D1 1.07062 0.00002 0.01338 -0.00454 0.00884 1.07945 D2 -3.13679 -0.00002 0.01460 -0.00571 0.00889 -3.12790 D3 -1.02834 0.00002 0.01416 -0.00458 0.00957 -1.01876 D4 -3.11259 0.00001 0.01528 -0.00544 0.00984 -3.10275 D5 -1.03682 -0.00003 0.01650 -0.00660 0.00990 -1.02692 D6 1.07164 0.00001 0.01606 -0.00548 0.01058 1.08222 D7 -1.06104 0.00000 0.01493 -0.00559 0.00933 -1.05171 D8 1.01474 -0.00004 0.01614 -0.00676 0.00938 1.02412 D9 3.12319 0.00000 0.01570 -0.00564 0.01007 3.13326 D10 -0.83083 0.00014 0.02340 0.00337 0.02677 -0.80406 D11 -2.97765 0.00020 0.02209 0.00469 0.02679 -2.95086 D12 1.29827 0.00011 0.02283 0.00335 0.02617 1.32445 D13 2.07628 0.00002 0.02250 -0.00478 0.01771 2.09399 D14 -1.07717 0.00003 0.00096 0.00385 0.00482 -1.07236 D15 -2.06794 -0.00005 0.02342 -0.00585 0.01756 -2.05038 D16 1.06180 -0.00004 0.00188 0.00278 0.00467 1.06646 D17 -0.01433 0.00006 0.02224 -0.00403 0.01820 0.00388 D18 3.11541 0.00007 0.00070 0.00460 0.00531 3.12072 D19 3.02035 0.00003 0.01663 -0.00350 0.01313 3.03349 D20 -0.01757 -0.00004 -0.00499 -0.00036 -0.00534 -0.02290 D21 -0.11182 0.00010 0.01470 -0.00005 0.01465 -0.09717 D22 3.13345 0.00003 -0.00692 0.00309 -0.00382 3.12963 D23 -3.05372 -0.00002 -0.00752 0.00142 -0.00609 -3.05981 D24 -0.00303 0.00001 -0.00661 0.00143 -0.00517 -0.00821 D25 0.07722 -0.00010 -0.00530 -0.00247 -0.00776 0.06946 D26 3.12791 -0.00006 -0.00439 -0.00245 -0.00684 3.12107 D27 -3.06312 -0.00008 -0.01396 0.00239 -0.01158 -3.07470 D28 0.05439 -0.00003 -0.01693 0.00301 -0.01392 0.04048 D29 -0.02468 0.00000 0.00746 -0.00064 0.00682 -0.01785 D30 3.09283 0.00005 0.00449 -0.00002 0.00449 3.09732 D31 -3.11515 -0.00001 -0.01218 0.00532 -0.00688 -3.12203 D32 0.03847 -0.00002 0.00964 -0.00343 0.00622 0.04469 D33 0.00143 0.00004 -0.01528 0.00596 -0.00933 -0.00790 D34 -3.12814 0.00003 0.00655 -0.00279 0.00376 -3.12437 D35 3.08877 -0.00002 0.01940 -0.00768 0.01171 3.10048 D36 -0.05592 0.00002 0.02089 -0.00779 0.01309 -0.04283 D37 -0.06491 -0.00000 -0.00254 0.00112 -0.00142 -0.06633 D38 3.07358 0.00003 -0.00105 0.00101 -0.00004 3.07354 D39 0.00039 0.00008 0.00028 0.00207 0.00235 0.00274 D40 -3.04883 0.00008 -0.00047 0.00218 0.00171 -3.04712 D41 -3.13812 0.00004 -0.00120 0.00218 0.00098 -3.13714 D42 0.09585 0.00004 -0.00195 0.00229 0.00034 0.09618 D43 1.11140 -0.00013 0.00302 -0.00573 -0.00271 1.10869 D44 -3.11969 -0.00014 0.00255 -0.00570 -0.00315 -3.12285 D45 -2.12410 -0.00009 0.00386 -0.00574 -0.00188 -2.12598 D46 -0.07200 -0.00010 0.00338 -0.00571 -0.00233 -0.07433 D47 -2.14419 -0.00021 0.03751 0.01718 0.05469 -2.08950 D48 2.07404 0.00029 0.03708 0.01878 0.05586 2.12990 Item Value Threshold Converged? Maximum Force 0.001802 0.000450 NO RMS Force 0.000252 0.000300 YES Maximum Displacement 0.058859 0.001800 NO RMS Displacement 0.013359 0.001200 NO Predicted change in Energy=-2.202865D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.956642 -4.923356 2.009178 2 6 0 7.005838 -5.125415 3.519648 3 8 0 6.835746 -6.148790 1.334984 4 8 0 2.790694 -1.687440 0.684241 5 6 0 3.623241 -2.505438 0.951803 6 7 0 4.958040 -2.221132 0.645862 7 6 0 6.084240 -2.931245 0.951870 8 8 0 7.184374 -2.513538 0.671554 9 7 0 5.843878 -4.096952 1.610136 10 6 0 4.534208 -4.519928 1.878893 11 6 0 3.449949 -3.810650 1.591971 12 1 0 7.843315 -4.406848 1.680990 13 1 0 7.877685 -5.719222 3.787751 14 1 0 7.085263 -4.168542 4.022769 15 1 0 5.120826 -1.345814 0.198594 16 1 0 4.398629 -5.472328 2.341810 17 7 0 2.157189 -4.235503 1.987155 18 1 0 6.120778 -5.636012 3.877808 19 1 0 7.450225 -6.768241 1.700469 20 8 0 1.441773 -4.328337 0.725006 21 8 0 2.207983 -5.436163 2.570377 22 1 0 0.738485 -3.710108 0.849131 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524719 0.000000 3 O 1.403867 2.418467 0.000000 4 O 5.438909 6.134056 6.057190 0.000000 5 C 4.251580 4.989997 4.872477 1.197432 0.000000 6 N 3.626990 4.570229 4.407627 2.232417 1.398613 7 C 2.418159 3.501030 3.326280 3.530739 2.497565 8 O 2.765560 3.868517 3.711704 4.470685 3.572153 9 N 1.442367 2.460513 2.295551 3.998119 2.810257 10 C 2.459250 3.027812 2.871603 3.534122 2.397400 11 C 3.702577 4.253104 4.122689 2.401376 1.464043 12 H 1.077348 2.144381 2.041882 5.823888 4.685734 13 H 2.155236 1.088395 2.699302 7.194756 6.039147 14 H 2.154260 1.083995 3.347810 5.978709 4.917555 15 H 4.409902 5.372900 5.225028 2.404595 2.038336 16 H 2.637317 2.881872 2.722285 4.433776 3.366866 17 N 4.848544 5.162352 5.096557 2.931132 2.492867 18 H 2.167562 1.082737 2.690739 6.072853 4.959807 19 H 1.934561 2.491138 0.945983 6.968392 5.777352 20 O 5.693587 6.277275 5.725475 2.965736 2.851877 21 O 4.809124 4.900723 4.842543 4.236742 3.634815 22 H 6.440742 6.958051 6.584817 2.886163 3.127872 6 7 8 9 10 6 N 0.000000 7 C 1.366100 0.000000 8 O 2.245602 1.209691 0.000000 9 N 2.287627 1.360133 2.277074 0.000000 10 C 2.642813 2.405386 3.536474 1.402274 0.000000 11 C 2.386636 2.850013 4.059015 2.411057 1.327034 12 H 3.764792 2.409018 2.244502 2.024551 3.316947 13 H 5.534657 4.362508 4.524132 3.392659 4.032478 14 H 4.440832 3.458811 3.738918 2.714214 3.350755 15 H 0.996358 2.002294 2.417747 3.175534 3.639028 16 H 3.709375 3.351168 4.393697 2.125030 1.067587 17 N 3.701557 4.265517 5.474355 3.708506 2.396423 18 H 4.843433 3.984748 4.600125 2.754581 2.785410 19 H 5.291445 4.141118 4.385413 3.118381 3.686448 20 O 4.100087 4.853436 6.022776 4.496168 3.306255 21 O 4.647902 4.890762 6.075503 3.991902 2.594024 22 H 4.479175 5.403174 6.558415 5.176274 4.015437 11 12 13 14 15 11 C 0.000000 12 H 4.434529 0.000000 13 H 5.298013 2.482327 0.000000 14 H 4.387753 2.472925 1.757206 0.000000 15 H 3.287666 4.356532 6.293569 5.143065 0.000000 16 H 2.055098 3.665760 3.775649 3.426876 4.705642 17 N 1.417003 5.696941 6.177997 5.332366 4.509146 18 H 3.961102 3.050244 1.761181 1.762020 5.739540 19 H 4.976076 2.393967 2.374849 3.504955 6.089700 20 O 2.247754 6.473007 7.261951 6.538330 4.765290 21 O 2.267609 5.797195 5.805828 5.244442 5.553464 22 H 2.813176 7.187215 7.977481 7.110819 5.021753 16 17 18 19 20 16 H 0.000000 17 N 2.584487 0.000000 18 H 2.313412 4.609342 0.000000 19 H 3.376825 5.874793 2.791089 0.000000 20 O 3.558901 1.453774 5.791655 6.557908 0.000000 21 O 2.202835 1.335782 4.130288 5.478346 2.284677 22 H 4.327837 1.893109 6.469241 7.424582 0.944579 21 22 21 O 0.000000 22 H 2.846292 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.474850 -0.485470 -0.091096 2 6 0 2.769340 -1.319444 1.150891 3 8 0 2.519425 -1.270459 -1.254131 4 8 0 -2.410344 1.865700 0.343192 5 6 0 -1.398278 1.247072 0.179281 6 7 0 -0.205216 1.956380 0.007222 7 6 0 1.074309 1.485786 -0.079868 8 8 0 2.015903 2.240836 -0.161420 9 7 0 1.171681 0.129964 -0.032675 10 6 0 0.026578 -0.676026 0.041426 11 6 0 -1.209545 -0.204326 0.143976 12 1 0 3.182695 0.323447 -0.163802 13 1 0 3.773229 -1.735591 1.090621 14 1 0 2.716858 -0.699798 2.038770 15 1 0 -0.289098 2.949179 0.013847 16 1 0 0.154877 -1.735471 0.012168 17 7 0 -2.320713 -1.064026 0.328697 18 1 0 2.065906 -2.136210 1.252834 19 1 0 3.292458 -1.815331 -1.233687 20 8 0 -3.166080 -0.758368 -0.813837 21 8 0 -1.944189 -2.344930 0.285960 22 1 0 -3.958441 -0.454245 -0.399226 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0263450 0.5461523 0.3931366 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.2681879315 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.81D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999999 -0.001531 0.000035 -0.000724 Ang= -0.19 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410878623 A.U. after 12 cycles NFock= 12 Conv=0.63D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000067379 0.000149093 0.000200765 2 6 0.000013378 -0.000148143 -0.000009916 3 8 -0.000273910 0.000595647 -0.000489214 4 8 -0.000127201 0.000094561 -0.000081747 5 6 0.000294022 -0.000083672 -0.000098779 6 7 -0.000471339 0.000047296 -0.000126352 7 6 0.000492099 0.000451598 0.000207474 8 8 -0.000334992 -0.000172835 -0.000087193 9 7 -0.000139791 -0.000664638 -0.000103489 10 6 0.000251261 0.000235424 -0.000067957 11 6 -0.000210952 -0.000154567 0.000136647 12 1 0.000007926 0.000044757 -0.000000386 13 1 -0.000002505 -0.000004894 -0.000012069 14 1 0.000048545 0.000020182 -0.000012852 15 1 0.000152333 0.000088281 -0.000022987 16 1 -0.000072333 -0.000116255 0.000000789 17 7 0.000031661 0.000237796 -0.000268217 18 1 0.000029607 0.000068304 0.000111090 19 1 0.000268830 -0.000491993 0.000403983 20 8 0.000721654 -0.000344785 0.000123344 21 8 0.000013122 -0.000419502 0.000146252 22 1 -0.000624036 0.000568344 0.000050814 ------------------------------------------------------------------- Cartesian Forces: Max 0.000721654 RMS 0.000266932 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000843288 RMS 0.000147440 Search for a local minimum. Step number 16 out of a maximum of 115 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 16 DE= -2.43D-05 DEPred=-2.20D-05 R= 1.10D+00 TightC=F SS= 1.41D+00 RLast= 1.08D-01 DXNew= 3.3560D+00 3.2455D-01 Trust test= 1.10D+00 RLast= 1.08D-01 DXMaxT set to 2.00D+00 ITU= 1 1 1 0 1 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00120 0.00394 0.00450 0.00673 0.01392 Eigenvalues --- 0.01472 0.01673 0.01868 0.01947 0.02057 Eigenvalues --- 0.02350 0.02398 0.02726 0.05204 0.05462 Eigenvalues --- 0.05583 0.05775 0.05805 0.08179 0.09568 Eigenvalues --- 0.15031 0.15969 0.15998 0.16020 0.16157 Eigenvalues --- 0.16232 0.17297 0.18457 0.20309 0.21139 Eigenvalues --- 0.23541 0.24104 0.24520 0.24991 0.25100 Eigenvalues --- 0.25769 0.29104 0.30158 0.33753 0.34224 Eigenvalues --- 0.34832 0.34852 0.34896 0.35014 0.35106 Eigenvalues --- 0.37519 0.39831 0.40636 0.42759 0.43095 Eigenvalues --- 0.44473 0.45863 0.47737 0.49696 0.49940 Eigenvalues --- 0.58196 0.67750 0.75871 0.91584 0.97447 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 16 15 14 13 12 RFO step: Lambda=-1.70986752D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.88403 -0.80825 -0.29233 0.05692 0.15964 Iteration 1 RMS(Cart)= 0.00929230 RMS(Int)= 0.00016886 Iteration 2 RMS(Cart)= 0.00016562 RMS(Int)= 0.00001602 Iteration 3 RMS(Cart)= 0.00000003 RMS(Int)= 0.00001602 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88130 0.00009 -0.00051 0.00080 0.00029 2.88159 R2 2.65292 -0.00005 0.00099 -0.00089 0.00010 2.65302 R3 2.72568 -0.00006 -0.00033 0.00014 -0.00020 2.72548 R4 2.03589 0.00003 0.00009 -0.00008 0.00001 2.03591 R5 2.05677 -0.00000 -0.00008 0.00013 0.00004 2.05681 R6 2.04845 0.00002 -0.00002 -0.00005 -0.00007 2.04838 R7 2.04608 -0.00002 -0.00001 -0.00006 -0.00008 2.04600 R8 1.78765 0.00065 0.00005 0.00037 0.00042 1.78807 R9 2.26282 0.00017 0.00050 -0.00008 0.00041 2.26323 R10 2.64300 -0.00015 -0.00193 0.00058 -0.00135 2.64165 R11 2.76664 0.00015 0.00106 -0.00044 0.00062 2.76726 R12 2.58155 0.00019 0.00127 -0.00062 0.00065 2.58221 R13 1.88284 0.00011 0.00018 -0.00013 0.00005 1.88289 R14 2.28598 -0.00034 -0.00001 -0.00021 -0.00021 2.28577 R15 2.57028 0.00031 -0.00056 0.00038 -0.00019 2.57009 R16 2.64991 -0.00013 0.00202 -0.00117 0.00084 2.65075 R17 2.50773 0.00004 -0.00093 0.00115 0.00021 2.50794 R18 2.01745 0.00011 0.00003 -0.00024 -0.00022 2.01723 R19 2.67775 -0.00013 -0.00570 0.00359 -0.00211 2.67563 R20 2.74723 -0.00021 -0.00230 0.00028 -0.00202 2.74522 R21 2.52426 0.00044 0.00067 -0.00063 0.00004 2.52431 R22 1.78499 0.00084 0.00006 0.00077 0.00083 1.78582 A1 1.94212 0.00007 -0.00058 0.00099 0.00041 1.94254 A2 1.95508 0.00019 0.00034 0.00084 0.00119 1.95626 A3 1.91639 -0.00012 -0.00085 -0.00019 -0.00104 1.91535 A4 1.87636 -0.00019 0.00133 -0.00097 0.00036 1.87672 A5 1.92098 0.00003 0.00018 -0.00094 -0.00076 1.92022 A6 1.85041 0.00002 -0.00036 0.00018 -0.00018 1.85022 A7 1.92003 -0.00004 -0.00150 0.00108 -0.00042 1.91961 A8 1.92323 -0.00007 0.00053 -0.00070 -0.00018 1.92305 A9 1.94316 0.00019 0.00097 0.00017 0.00115 1.94431 A10 1.88449 0.00001 0.00018 -0.00042 -0.00024 1.88425 A11 1.89233 -0.00004 -0.00014 0.00013 -0.00001 1.89232 A12 1.89931 -0.00005 -0.00006 -0.00028 -0.00034 1.89897 A13 1.90722 -0.00001 0.00139 -0.00083 0.00057 1.90778 A14 2.06668 -0.00002 0.00221 -0.00171 0.00051 2.06719 A15 2.24519 -0.00002 -0.00271 0.00151 -0.00120 2.24399 A16 1.97125 0.00004 0.00045 0.00023 0.00070 1.97195 A17 2.25507 -0.00007 -0.00020 0.00018 0.00001 2.25508 A18 2.01829 0.00016 0.00098 -0.00002 0.00100 2.01929 A19 2.00703 -0.00009 -0.00021 -0.00026 -0.00044 2.00659 A20 2.11570 -0.00006 -0.00089 0.00030 -0.00059 2.11511 A21 1.99131 0.00004 0.00051 -0.00035 0.00015 1.99146 A22 2.17585 0.00002 0.00034 0.00015 0.00050 2.17635 A23 2.08129 0.00002 0.00046 -0.00079 -0.00024 2.08105 A24 2.08828 0.00006 -0.00062 0.00072 0.00019 2.08846 A25 2.11335 -0.00008 -0.00019 0.00006 -0.00007 2.11327 A26 2.16571 0.00004 -0.00077 0.00067 -0.00012 2.16560 A27 2.06100 0.00003 -0.00131 0.00114 -0.00015 2.06084 A28 2.05647 -0.00008 0.00208 -0.00181 0.00027 2.05674 A29 2.06500 0.00002 0.00065 -0.00096 -0.00031 2.06468 A30 2.09120 -0.00007 -0.00256 0.00176 -0.00080 2.09040 A31 2.12335 0.00005 0.00197 -0.00080 0.00117 2.12453 A32 1.79875 -0.00016 0.00352 -0.00027 0.00325 1.80200 A33 1.93539 0.00006 -0.00302 0.00357 0.00055 1.93594 A34 1.91812 0.00012 0.00030 -0.00044 -0.00015 1.91797 A35 1.78290 0.00009 0.00252 -0.00154 0.00098 1.78388 D1 1.07945 0.00003 0.00585 -0.00474 0.00111 1.08057 D2 -3.12790 -0.00002 0.00547 -0.00502 0.00045 -3.12745 D3 -1.01876 -0.00001 0.00639 -0.00574 0.00066 -1.01810 D4 -3.10275 -0.00004 0.00739 -0.00471 0.00268 -3.10007 D5 -1.02692 -0.00009 0.00700 -0.00499 0.00202 -1.02491 D6 1.08222 -0.00008 0.00793 -0.00570 0.00223 1.08444 D7 -1.05171 0.00003 0.00660 -0.00409 0.00251 -1.04920 D8 1.02412 -0.00003 0.00622 -0.00437 0.00185 1.02597 D9 3.13326 -0.00002 0.00714 -0.00508 0.00206 3.13532 D10 -0.80406 0.00021 0.01823 0.00538 0.02362 -0.78044 D11 -2.95086 0.00006 0.01728 0.00436 0.02164 -2.92923 D12 1.32445 0.00012 0.01688 0.00517 0.02205 1.34650 D13 2.09399 -0.00007 0.00562 -0.00211 0.00351 2.09750 D14 -1.07236 -0.00002 0.00117 -0.00274 -0.00158 -1.07394 D15 -2.05038 0.00001 0.00602 -0.00100 0.00503 -2.04535 D16 1.06646 0.00005 0.00157 -0.00163 -0.00006 1.06640 D17 0.00388 -0.00004 0.00670 -0.00247 0.00423 0.00811 D18 3.12072 0.00000 0.00224 -0.00310 -0.00086 3.11985 D19 3.03349 -0.00000 0.00773 -0.00040 0.00731 3.04080 D20 -0.02290 0.00002 -0.00297 0.00114 -0.00185 -0.02475 D21 -0.09717 -0.00002 0.00906 -0.00271 0.00635 -0.09082 D22 3.12963 0.00000 -0.00163 -0.00117 -0.00281 3.12681 D23 -3.05981 -0.00005 -0.00426 -0.00094 -0.00522 -3.06504 D24 -0.00821 -0.00002 -0.00342 -0.00104 -0.00448 -0.01268 D25 0.06946 -0.00002 -0.00574 0.00163 -0.00412 0.06534 D26 3.12107 0.00000 -0.00490 0.00153 -0.00337 3.11769 D27 -3.07470 -0.00006 -0.00626 -0.00198 -0.00823 -3.08293 D28 0.04048 0.00006 -0.00742 0.00213 -0.00530 0.03518 D29 -0.01785 -0.00007 0.00445 -0.00351 0.00093 -0.01692 D30 3.09732 0.00004 0.00329 0.00060 0.00387 3.10119 D31 -3.12203 0.00001 -0.00208 -0.00114 -0.00322 -3.12524 D32 0.04469 -0.00004 0.00246 -0.00051 0.00194 0.04663 D33 -0.00790 0.00013 -0.00332 0.00313 -0.00018 -0.00809 D34 -3.12437 0.00008 0.00123 0.00376 0.00498 -3.11940 D35 3.10048 -0.00006 0.00417 0.00044 0.00461 3.10509 D36 -0.04283 -0.00004 0.00472 -0.00013 0.00458 -0.03825 D37 -0.06633 -0.00001 -0.00037 -0.00022 -0.00058 -0.06691 D38 3.07354 0.00000 0.00018 -0.00078 -0.00061 3.07293 D39 0.00274 0.00005 0.00222 -0.00042 0.00180 0.00454 D40 -3.04712 0.00003 0.00161 -0.00045 0.00115 -3.04598 D41 -3.13714 0.00004 0.00168 0.00015 0.00183 -3.13531 D42 0.09618 0.00002 0.00107 0.00011 0.00117 0.09736 D43 1.10869 -0.00019 -0.00486 -0.00460 -0.00946 1.09923 D44 -3.12285 -0.00012 -0.00396 -0.00362 -0.00757 -3.13042 D45 -2.12598 -0.00017 -0.00407 -0.00470 -0.00877 -2.13475 D46 -0.07433 -0.00009 -0.00317 -0.00372 -0.00689 -0.08121 D47 -2.08950 0.00005 0.04138 0.00446 0.04584 -2.04366 D48 2.12990 0.00002 0.04286 0.00068 0.04353 2.17343 Item Value Threshold Converged? Maximum Force 0.000843 0.000450 NO RMS Force 0.000147 0.000300 YES Maximum Displacement 0.061675 0.001800 NO RMS Displacement 0.009267 0.001200 NO Predicted change in Energy=-8.498260D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.957602 -4.921027 2.009917 2 6 0 7.010489 -5.127161 3.519867 3 8 0 6.839027 -6.144705 1.332021 4 8 0 2.783890 -1.697810 0.675566 5 6 0 3.619532 -2.510896 0.949357 6 7 0 4.953584 -2.222063 0.647686 7 6 0 6.081320 -2.930156 0.954267 8 8 0 7.180131 -2.511893 0.670107 9 7 0 5.843286 -4.095382 1.614023 10 6 0 4.533970 -4.521505 1.881849 11 6 0 3.448249 -3.815079 1.592906 12 1 0 7.843078 -4.402132 1.682236 13 1 0 7.885416 -5.718154 3.784222 14 1 0 7.087589 -4.171373 4.025324 15 1 0 5.115098 -1.348664 0.196166 16 1 0 4.400446 -5.473696 2.345532 17 7 0 2.156548 -4.240255 1.987198 18 1 0 6.128484 -5.641942 3.879451 19 1 0 7.441379 -6.770205 1.707827 20 8 0 1.435778 -4.326043 0.728833 21 8 0 2.206234 -5.443391 2.565446 22 1 0 0.757869 -3.677471 0.842198 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524873 0.000000 3 O 1.403920 2.418980 0.000000 4 O 5.439622 6.141224 6.053920 0.000000 5 C 4.251615 4.995093 4.869923 1.197651 0.000000 6 N 3.627143 4.573825 4.405716 2.232306 1.397901 7 C 2.417816 3.503211 3.324176 3.531203 2.497239 8 O 2.765599 3.871632 3.708343 4.470984 3.571533 9 N 1.442263 2.461539 2.295811 3.998619 2.810241 10 C 2.459677 3.030358 2.872347 3.534283 2.397559 11 C 3.703050 4.257264 4.122208 2.401190 1.464372 12 H 1.077355 2.143772 2.041404 5.824270 4.685320 13 H 2.155089 1.088418 2.700030 7.200866 6.043238 14 H 2.154238 1.083956 3.348089 5.988424 4.924041 15 H 4.409795 5.377409 5.221505 2.405464 2.038332 16 H 2.637636 2.882963 2.724726 4.433888 3.367093 17 N 4.849132 5.166857 5.097234 2.928816 2.491609 18 H 2.168481 1.082697 2.692032 6.083368 4.968273 19 H 1.935138 2.483696 0.946207 6.963258 5.772651 20 O 5.699624 6.285623 5.732928 2.954294 2.848187 21 O 4.812169 4.908338 4.845198 4.234939 3.634374 22 H 6.430138 6.954622 6.580855 2.837531 3.092166 6 7 8 9 10 6 N 0.000000 7 C 1.366446 0.000000 8 O 2.245443 1.209577 0.000000 9 N 2.287947 1.360033 2.277185 0.000000 10 C 2.643231 2.405638 3.536811 1.402719 0.000000 11 C 2.386876 2.850265 4.059162 2.411476 1.327146 12 H 3.764594 2.408411 2.244306 2.024331 3.317271 13 H 5.536799 4.363065 4.524958 3.393147 4.035242 14 H 4.445473 3.461876 3.744318 2.714487 3.352320 15 H 0.996385 2.002353 2.417040 3.175695 3.639528 16 H 3.709685 3.351202 4.393856 2.125239 1.067472 17 N 3.700109 4.264638 5.473422 3.708407 2.396317 18 H 4.849770 3.989073 4.604677 2.757780 2.790746 19 H 5.291372 4.142896 4.390710 3.117271 3.679668 20 O 4.099790 4.855963 6.024299 4.501431 3.311562 21 O 4.647869 4.891680 6.076647 3.993805 2.595290 22 H 4.445230 5.376817 6.529443 5.160603 4.006520 11 12 13 14 15 11 C 0.000000 12 H 4.434764 0.000000 13 H 5.302076 2.480332 0.000000 14 H 4.391856 2.472665 1.757040 0.000000 15 H 3.288232 4.355909 6.296129 5.149840 0.000000 16 H 2.055271 3.666050 3.778174 3.426147 4.705995 17 N 1.415885 5.697001 6.183316 5.336091 4.508005 18 H 3.968549 3.050362 1.761160 1.761741 5.746805 19 H 4.969011 2.402037 2.369682 3.499983 6.090140 20 O 2.248943 6.478291 7.271258 6.544749 4.762973 21 O 2.267120 5.799852 5.814982 5.251371 5.553536 22 H 2.796541 7.171539 7.976328 7.102224 4.982584 16 17 18 19 20 16 H 0.000000 17 N 2.585509 0.000000 18 H 2.316750 4.617534 0.000000 19 H 3.366730 5.865844 2.777160 0.000000 20 O 3.566522 1.452705 5.803402 6.557408 0.000000 21 O 2.205413 1.335805 4.141265 5.468335 2.283685 22 H 4.330682 1.893160 6.475149 7.415094 0.945017 21 22 21 O 0.000000 22 H 2.861087 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.476463 -0.482517 -0.091356 2 6 0 2.776389 -1.320088 1.147093 3 8 0 2.521147 -1.262673 -1.257698 4 8 0 -2.414116 1.860374 0.335947 5 6 0 -1.399474 1.243953 0.178167 6 7 0 -0.207542 1.955044 0.011511 7 6 0 1.072971 1.486189 -0.075881 8 8 0 2.012684 2.243034 -0.160749 9 7 0 1.172533 0.130630 -0.028593 10 6 0 0.028239 -0.677455 0.043571 11 6 0 -1.208812 -0.207569 0.144712 12 1 0 3.182782 0.327890 -0.162399 13 1 0 3.782043 -1.731488 1.083352 14 1 0 2.723170 -0.703828 2.037235 15 1 0 -0.292677 2.947780 0.014542 16 1 0 0.158392 -1.736548 0.013900 17 7 0 -2.318963 -1.066888 0.328742 18 1 0 2.076942 -2.140324 1.248185 19 1 0 3.285018 -1.820476 -1.231910 20 8 0 -3.171531 -0.756945 -0.805901 21 8 0 -1.943930 -2.347996 0.278889 22 1 0 -3.946564 -0.415938 -0.386264 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0278232 0.5456309 0.3928567 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.2922517353 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.80D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 1.000000 -0.000570 -0.000211 -0.000420 Ang= -0.08 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410890671 A.U. after 12 cycles NFock= 12 Conv=0.71D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000193194 0.000049863 0.000177653 2 6 -0.000025574 -0.000078920 -0.000065197 3 8 -0.000145867 0.000396522 -0.000282983 4 8 -0.000090743 0.000181549 -0.000012691 5 6 0.000101534 -0.000235233 0.000022004 6 7 -0.000144313 0.000004139 -0.000082938 7 6 0.000266104 0.000219463 -0.000297258 8 8 -0.000212167 -0.000012548 0.000156972 9 7 -0.000354345 -0.000577596 0.000033389 10 6 0.000312745 0.000316344 -0.000018645 11 6 0.000370974 0.000042594 -0.000228623 12 1 -0.000026112 0.000061564 0.000001009 13 1 -0.000015702 -0.000001697 -0.000019112 14 1 0.000049480 0.000034011 -0.000015145 15 1 0.000079419 0.000087539 0.000008302 16 1 -0.000046682 -0.000179136 0.000019506 17 7 -0.000430718 0.000428592 0.000290303 18 1 -0.000067539 0.000042357 0.000055889 19 1 0.000076349 -0.000291960 0.000269255 20 8 0.000301788 -0.000270384 -0.000118304 21 8 0.000118212 -0.000524220 0.000111441 22 1 -0.000310037 0.000307159 -0.000004828 ------------------------------------------------------------------- Cartesian Forces: Max 0.000577596 RMS 0.000211692 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000524794 RMS 0.000119193 Search for a local minimum. Step number 17 out of a maximum of 115 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 16 17 DE= -1.20D-05 DEPred=-8.50D-06 R= 1.42D+00 TightC=F SS= 1.41D+00 RLast= 7.93D-02 DXNew= 3.3560D+00 2.3795D-01 Trust test= 1.42D+00 RLast= 7.93D-02 DXMaxT set to 2.00D+00 ITU= 1 1 1 1 0 1 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00077 0.00384 0.00463 0.00640 0.01198 Eigenvalues --- 0.01445 0.01677 0.01869 0.01949 0.02062 Eigenvalues --- 0.02281 0.02488 0.03138 0.05207 0.05567 Eigenvalues --- 0.05637 0.05752 0.05843 0.08185 0.10844 Eigenvalues --- 0.15406 0.15932 0.15982 0.16017 0.16133 Eigenvalues --- 0.16168 0.17278 0.18306 0.21033 0.21421 Eigenvalues --- 0.23672 0.24274 0.24526 0.25031 0.25475 Eigenvalues --- 0.26208 0.29275 0.30212 0.33768 0.34697 Eigenvalues --- 0.34853 0.34880 0.34903 0.35114 0.35358 Eigenvalues --- 0.37665 0.39950 0.40795 0.42929 0.43736 Eigenvalues --- 0.44622 0.46303 0.47756 0.49815 0.51009 Eigenvalues --- 0.58258 0.65959 0.77184 0.91321 0.97008 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 17 16 15 14 13 12 RFO step: Lambda=-1.76742258D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.36986 0.51432 -1.27962 0.11675 0.13717 RFO-DIIS coefs: 0.14151 Iteration 1 RMS(Cart)= 0.00794346 RMS(Int)= 0.00013565 Iteration 2 RMS(Cart)= 0.00013200 RMS(Int)= 0.00002690 Iteration 3 RMS(Cart)= 0.00000002 RMS(Int)= 0.00002690 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88159 -0.00004 -0.00055 0.00061 0.00006 2.88165 R2 2.65302 -0.00008 0.00082 -0.00080 0.00002 2.65305 R3 2.72548 -0.00006 -0.00081 0.00074 -0.00007 2.72541 R4 2.03591 0.00001 0.00018 -0.00018 0.00000 2.03591 R5 2.05681 -0.00002 -0.00010 0.00014 0.00004 2.05685 R6 2.04838 0.00003 0.00014 -0.00014 0.00000 2.04838 R7 2.04600 0.00005 0.00004 -0.00003 0.00001 2.04601 R8 1.78807 0.00035 0.00082 -0.00045 0.00038 1.78845 R9 2.26323 0.00019 0.00047 -0.00002 0.00045 2.26368 R10 2.64165 0.00001 -0.00174 0.00074 -0.00099 2.64066 R11 2.76726 0.00002 0.00112 -0.00081 0.00032 2.76759 R12 2.58221 0.00006 0.00125 -0.00064 0.00061 2.58282 R13 1.88289 0.00009 0.00030 -0.00017 0.00013 1.88302 R14 2.28577 -0.00023 -0.00019 -0.00013 -0.00032 2.28545 R15 2.57009 0.00029 -0.00018 0.00039 0.00021 2.57030 R16 2.65075 -0.00032 0.00140 -0.00118 0.00021 2.65096 R17 2.50794 -0.00005 -0.00052 0.00034 -0.00019 2.50776 R18 2.01723 0.00017 0.00024 -0.00014 0.00011 2.01734 R19 2.67563 0.00039 -0.00461 0.00332 -0.00129 2.67435 R20 2.74522 0.00011 -0.00258 0.00161 -0.00097 2.74425 R21 2.52431 0.00052 0.00142 -0.00068 0.00074 2.52505 R22 1.78582 0.00043 0.00096 -0.00016 0.00080 1.78662 A1 1.94254 0.00008 -0.00030 0.00057 0.00026 1.94280 A2 1.95626 -0.00007 0.00011 0.00038 0.00050 1.95676 A3 1.91535 -0.00002 -0.00096 0.00033 -0.00063 1.91472 A4 1.87672 -0.00011 0.00062 -0.00076 -0.00014 1.87658 A5 1.92022 0.00003 0.00049 -0.00075 -0.00027 1.91995 A6 1.85022 0.00009 0.00011 0.00017 0.00027 1.85050 A7 1.91961 -0.00002 -0.00173 0.00152 -0.00021 1.91940 A8 1.92305 -0.00006 0.00010 -0.00053 -0.00043 1.92262 A9 1.94431 0.00006 0.00164 -0.00062 0.00102 1.94533 A10 1.88425 0.00001 0.00001 -0.00026 -0.00024 1.88401 A11 1.89232 0.00001 0.00005 0.00009 0.00014 1.89247 A12 1.89897 -0.00001 -0.00011 -0.00020 -0.00031 1.89866 A13 1.90778 0.00001 0.00122 -0.00061 0.00061 1.90839 A14 2.06719 -0.00006 0.00160 -0.00109 0.00052 2.06771 A15 2.24399 0.00006 -0.00201 0.00095 -0.00104 2.24295 A16 1.97195 -0.00000 0.00034 0.00013 0.00050 1.97246 A17 2.25508 -0.00007 -0.00016 -0.00011 -0.00018 2.25490 A18 2.01929 0.00009 0.00117 -0.00034 0.00091 2.02020 A19 2.00659 -0.00003 -0.00091 0.00038 -0.00045 2.00614 A20 2.11511 -0.00001 -0.00080 0.00030 -0.00049 2.11462 A21 1.99146 -0.00002 0.00030 -0.00016 0.00012 1.99158 A22 2.17635 0.00002 0.00050 -0.00020 0.00032 2.17667 A23 2.08105 0.00014 0.00041 -0.00018 0.00038 2.08143 A24 2.08846 -0.00012 -0.00061 0.00019 -0.00028 2.08818 A25 2.11327 -0.00001 -0.00015 -0.00004 -0.00010 2.11317 A26 2.16560 0.00006 -0.00050 0.00047 -0.00005 2.16554 A27 2.06084 -0.00001 -0.00096 0.00087 -0.00007 2.06077 A28 2.05674 -0.00005 0.00146 -0.00134 0.00013 2.05687 A29 2.06468 0.00004 0.00038 -0.00042 -0.00004 2.06464 A30 2.09040 0.00009 -0.00207 0.00132 -0.00075 2.08965 A31 2.12453 -0.00013 0.00172 -0.00099 0.00073 2.12525 A32 1.80200 -0.00017 0.00271 -0.00081 0.00190 1.80390 A33 1.93594 -0.00014 -0.00187 0.00102 -0.00085 1.93509 A34 1.91797 0.00003 0.00024 -0.00089 -0.00064 1.91732 A35 1.78388 0.00009 0.00112 0.00006 0.00118 1.78507 D1 1.08057 0.00006 0.00041 -0.00277 -0.00236 1.07821 D2 -3.12745 0.00003 -0.00058 -0.00247 -0.00305 -3.13051 D3 -1.01810 0.00002 0.00043 -0.00349 -0.00306 -1.02116 D4 -3.10007 -0.00007 0.00107 -0.00307 -0.00200 -3.10208 D5 -1.02491 -0.00010 0.00008 -0.00277 -0.00270 -1.02760 D6 1.08444 -0.00010 0.00109 -0.00380 -0.00271 1.08174 D7 -1.04920 -0.00001 0.00065 -0.00242 -0.00176 -1.05096 D8 1.02597 -0.00004 -0.00034 -0.00212 -0.00246 1.02351 D9 3.13532 -0.00005 0.00068 -0.00314 -0.00246 3.13285 D10 -0.78044 0.00006 0.01799 0.00596 0.02394 -0.75650 D11 -2.92923 0.00017 0.01762 0.00563 0.02325 -2.90598 D12 1.34650 0.00011 0.01690 0.00624 0.02314 1.36964 D13 2.09750 -0.00004 0.00150 -0.00071 0.00080 2.09830 D14 -1.07394 0.00003 0.00207 -0.00157 0.00050 -1.07344 D15 -2.04535 -0.00006 0.00162 -0.00027 0.00135 -2.04400 D16 1.06640 0.00002 0.00219 -0.00113 0.00105 1.06745 D17 0.00811 -0.00004 0.00254 -0.00143 0.00112 0.00922 D18 3.11985 0.00004 0.00311 -0.00229 0.00081 3.12067 D19 3.04080 -0.00005 0.00459 -0.00101 0.00357 3.04436 D20 -0.02475 0.00001 -0.00157 0.00021 -0.00138 -0.02614 D21 -0.09082 -0.00001 0.00578 -0.00082 0.00495 -0.08588 D22 3.12681 0.00006 -0.00038 0.00040 -0.00000 3.12681 D23 -3.06504 0.00005 -0.00343 0.00182 -0.00163 -3.06667 D24 -0.01268 0.00001 -0.00289 0.00055 -0.00236 -0.01504 D25 0.06534 0.00000 -0.00475 0.00159 -0.00317 0.06217 D26 3.11769 -0.00004 -0.00421 0.00032 -0.00390 3.11380 D27 -3.08293 0.00010 -0.00409 0.00195 -0.00213 -3.08506 D28 0.03518 0.00000 -0.00353 -0.00076 -0.00428 0.03090 D29 -0.01692 0.00004 0.00215 0.00071 0.00284 -0.01409 D30 3.10119 -0.00006 0.00271 -0.00200 0.00068 3.10187 D31 -3.12524 0.00010 0.00080 0.00068 0.00149 -3.12375 D32 0.04663 0.00002 0.00025 0.00156 0.00180 0.04843 D33 -0.00809 -0.00001 0.00136 -0.00212 -0.00076 -0.00885 D34 -3.11940 -0.00008 0.00081 -0.00125 -0.00045 -3.11985 D35 3.10509 -0.00012 -0.00051 0.00007 -0.00044 3.10465 D36 -0.03825 -0.00009 -0.00035 0.00005 -0.00030 -0.03855 D37 -0.06691 -0.00004 0.00007 -0.00082 -0.00075 -0.06766 D38 3.07293 -0.00000 0.00023 -0.00083 -0.00060 3.07233 D39 0.00454 0.00003 0.00241 -0.00090 0.00151 0.00605 D40 -3.04598 0.00006 0.00207 0.00027 0.00233 -3.04365 D41 -3.13531 -0.00001 0.00225 -0.00089 0.00137 -3.13394 D42 0.09736 0.00003 0.00190 0.00029 0.00219 0.09955 D43 1.09923 0.00001 -0.00811 0.00138 -0.00673 1.09250 D44 -3.13042 -0.00010 -0.00719 0.00037 -0.00682 -3.13724 D45 -2.13475 -0.00002 -0.00763 0.00010 -0.00753 -2.14227 D46 -0.08121 -0.00014 -0.00671 -0.00091 -0.00762 -0.08883 D47 -2.04366 -0.00009 0.04287 -0.00273 0.04014 -2.00351 D48 2.17343 0.00014 0.04347 -0.00307 0.04040 2.21383 Item Value Threshold Converged? Maximum Force 0.000525 0.000450 NO RMS Force 0.000119 0.000300 YES Maximum Displacement 0.052584 0.001800 NO RMS Displacement 0.007920 0.001200 NO Predicted change in Energy=-7.939771D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.958969 -4.919405 2.009506 2 6 0 7.012159 -5.126666 3.519321 3 8 0 6.843212 -6.142620 1.330262 4 8 0 2.778357 -1.705263 0.673564 5 6 0 3.616648 -2.515699 0.948146 6 7 0 4.949770 -2.222858 0.648648 7 6 0 6.078997 -2.929899 0.953602 8 8 0 7.176654 -2.508891 0.669760 9 7 0 5.843340 -4.095634 1.613537 10 6 0 4.534746 -4.524398 1.881252 11 6 0 3.447797 -3.819848 1.592795 12 1 0 7.843819 -4.398762 1.682907 13 1 0 7.887164 -5.717956 3.782835 14 1 0 7.090152 -4.171083 4.025030 15 1 0 5.110092 -1.349488 0.196496 16 1 0 4.403124 -5.477102 2.344555 17 7 0 2.157384 -4.245158 1.988706 18 1 0 6.130251 -5.640971 3.879839 19 1 0 7.431621 -6.773859 1.718846 20 8 0 1.430472 -4.323869 0.734009 21 8 0 2.208335 -5.451927 2.560142 22 1 0 0.775938 -3.649645 0.838243 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524903 0.000000 3 O 1.403932 2.419232 0.000000 4 O 5.439942 6.142427 6.053465 0.000000 5 C 4.251517 4.995756 4.869423 1.197888 0.000000 6 N 3.627697 4.574529 4.406161 2.232389 1.397379 7 C 2.418143 3.504211 3.323774 3.531626 2.496949 8 O 2.766385 3.872959 3.708292 4.471113 3.570881 9 N 1.442227 2.461946 2.295678 3.998943 2.810177 10 C 2.459541 3.030441 2.872499 3.534252 2.397594 11 C 3.702838 4.257224 4.122261 2.400959 1.464543 12 H 1.077355 2.143343 2.041228 5.825171 4.685592 13 H 2.154977 1.088438 2.699127 7.202026 6.043775 14 H 2.153958 1.083958 3.348091 5.992008 4.926737 15 H 4.410177 5.378299 5.221421 2.406483 2.038480 16 H 2.637352 2.882697 2.725019 4.433830 3.367255 17 N 4.848738 5.166108 5.098126 2.926820 2.490631 18 H 2.169235 1.082702 2.694496 6.083190 4.967932 19 H 1.935686 2.476066 0.946407 6.959608 5.768875 20 O 5.704896 6.289490 5.741178 2.945768 2.845119 21 O 4.811996 4.909434 4.844765 4.233390 3.633636 22 H 6.419815 6.946958 6.577904 2.795965 3.060644 6 7 8 9 10 6 N 0.000000 7 C 1.366769 0.000000 8 O 2.245278 1.209407 0.000000 9 N 2.288399 1.360142 2.277322 0.000000 10 C 2.643604 2.405758 3.536900 1.402829 0.000000 11 C 2.386988 2.850226 4.058938 2.411455 1.327048 12 H 3.765604 2.409158 2.245705 2.024503 3.317392 13 H 5.537790 4.364320 4.527047 3.393376 4.034762 14 H 4.447108 3.463616 3.745424 2.715793 3.354209 15 H 0.996454 2.002420 2.416376 3.176000 3.639983 16 H 3.710125 3.351349 4.394051 2.125338 1.067530 17 N 3.699036 4.263847 5.472414 3.708015 2.396115 18 H 4.849498 3.989411 4.605377 2.757991 2.790470 19 H 5.293063 4.146229 4.399493 3.115544 3.671285 20 O 4.099633 4.858000 6.026349 4.505448 3.315554 21 O 4.647167 4.891178 6.076117 3.993601 2.594878 22 H 4.415035 5.352922 6.503758 5.145731 3.997711 11 12 13 14 15 11 C 0.000000 12 H 4.434892 0.000000 13 H 5.301610 2.480292 0.000000 14 H 4.393846 2.470909 1.756902 0.000000 15 H 3.288701 4.356690 6.297417 5.151670 0.000000 16 H 2.055307 3.665920 3.776929 3.427798 4.706502 17 N 1.415203 5.696722 6.182103 5.337068 4.507262 18 H 3.967698 3.050558 1.761272 1.761551 5.746701 19 H 4.961141 2.410868 2.362732 3.494214 6.093508 20 O 2.249700 6.483597 7.275142 6.548751 4.761877 21 O 2.266210 5.799773 5.815053 5.255339 5.553109 22 H 2.781573 7.157483 7.969822 7.092024 4.948480 16 17 18 19 20 16 H 0.000000 17 N 2.586051 0.000000 18 H 2.316661 4.616097 0.000000 19 H 3.353339 5.855316 2.765301 0.000000 20 O 3.572180 1.452192 5.806801 6.556382 0.000000 21 O 2.205496 1.336198 4.142314 5.453255 2.283057 22 H 4.331865 1.893831 6.471890 7.405018 0.945441 21 22 21 O 0.000000 22 H 2.874877 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.477733 -0.480143 -0.091021 2 6 0 2.778378 -1.318619 1.146679 3 8 0 2.524166 -1.258645 -1.258413 4 8 0 -2.416972 1.855520 0.332679 5 6 0 -1.400457 1.241351 0.176382 6 7 0 -0.209792 1.954311 0.013061 7 6 0 1.071545 1.487043 -0.075806 8 8 0 2.009826 2.245525 -0.159467 9 7 0 1.173125 0.131519 -0.028669 10 6 0 0.029828 -0.678246 0.042611 11 6 0 -1.207771 -0.210096 0.143809 12 1 0 3.183464 0.330906 -0.160567 13 1 0 3.783898 -1.730202 1.081672 14 1 0 2.726644 -0.702391 2.036932 15 1 0 -0.295844 2.947038 0.015562 16 1 0 0.161529 -1.737186 0.012287 17 7 0 -2.316627 -1.069578 0.329626 18 1 0 2.078834 -2.138613 1.249105 19 1 0 3.277285 -1.830753 -1.223915 20 8 0 -3.176442 -0.756440 -0.797994 21 8 0 -1.940981 -2.350587 0.271904 22 1 0 -3.935075 -0.383286 -0.374805 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0288241 0.5454877 0.3927302 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.3646984843 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.79D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000239 -0.000078 -0.000378 Ang= -0.05 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410899741 A.U. after 12 cycles NFock= 12 Conv=0.69D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000238213 -0.000089273 0.000089492 2 6 -0.000009014 0.000024539 -0.000035126 3 8 0.000070786 0.000177011 -0.000122404 4 8 -0.000021708 0.000151049 -0.000092261 5 6 0.000018629 -0.000179555 0.000389998 6 7 0.000058009 -0.000149223 -0.000319376 7 6 0.000073032 0.000277784 0.000179523 8 8 -0.000028435 -0.000043539 0.000011747 9 7 -0.000428497 -0.000350839 -0.000133955 10 6 0.000424007 0.000145374 0.000069655 11 6 0.000600465 0.000416170 -0.000481929 12 1 -0.000050848 0.000067883 -0.000035633 13 1 -0.000017564 0.000013858 -0.000019713 14 1 0.000031512 0.000023517 -0.000005333 15 1 0.000008101 0.000040464 0.000040382 16 1 -0.000027063 -0.000096738 -0.000012829 17 7 -0.000604373 0.000117726 0.000543217 18 1 -0.000090690 0.000021344 -0.000001145 19 1 -0.000101385 -0.000112374 0.000133512 20 8 -0.000083147 -0.000178953 -0.000251630 21 8 -0.000021151 -0.000328855 0.000039773 22 1 -0.000038880 0.000052631 0.000014038 ------------------------------------------------------------------- Cartesian Forces: Max 0.000604373 RMS 0.000207770 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000879675 RMS 0.000119320 Search for a local minimum. Step number 18 out of a maximum of 115 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 16 17 18 DE= -9.07D-06 DEPred=-7.94D-06 R= 1.14D+00 TightC=F SS= 1.41D+00 RLast= 7.29D-02 DXNew= 3.3560D+00 2.1857D-01 Trust test= 1.14D+00 RLast= 7.29D-02 DXMaxT set to 2.00D+00 ITU= 1 1 1 1 1 0 1 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00070 0.00365 0.00436 0.00585 0.00950 Eigenvalues --- 0.01529 0.01640 0.01920 0.02048 0.02201 Eigenvalues --- 0.02283 0.02603 0.03341 0.05246 0.05565 Eigenvalues --- 0.05621 0.05757 0.05857 0.08191 0.10511 Eigenvalues --- 0.15335 0.15940 0.15980 0.16015 0.16182 Eigenvalues --- 0.16275 0.17295 0.18319 0.21104 0.22001 Eigenvalues --- 0.23942 0.24189 0.24588 0.25058 0.25489 Eigenvalues --- 0.26520 0.29901 0.30498 0.33817 0.34716 Eigenvalues --- 0.34831 0.34855 0.34905 0.35102 0.35145 Eigenvalues --- 0.37545 0.39996 0.40757 0.42887 0.43141 Eigenvalues --- 0.44563 0.46000 0.48069 0.49656 0.50326 Eigenvalues --- 0.58436 0.68025 0.81669 0.90496 0.97236 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 18 17 16 15 14 13 12 RFO step: Lambda=-1.48437059D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.13265 0.27786 0.14984 -0.94339 0.10088 RFO-DIIS coefs: 0.13790 0.14426 Iteration 1 RMS(Cart)= 0.00657063 RMS(Int)= 0.00007224 Iteration 2 RMS(Cart)= 0.00006617 RMS(Int)= 0.00003163 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00003163 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88165 -0.00008 -0.00033 0.00030 -0.00003 2.88162 R2 2.65305 -0.00006 0.00061 -0.00057 0.00004 2.65308 R3 2.72541 -0.00002 -0.00062 0.00056 -0.00005 2.72536 R4 2.03591 0.00000 0.00018 -0.00015 0.00003 2.03594 R5 2.05685 -0.00003 -0.00008 0.00008 -0.00001 2.05684 R6 2.04838 0.00002 0.00017 -0.00011 0.00006 2.04845 R7 2.04601 0.00006 0.00000 0.00002 0.00003 2.04604 R8 1.78845 0.00007 0.00100 -0.00054 0.00046 1.78891 R9 2.26368 0.00014 0.00038 -0.00001 0.00037 2.26405 R10 2.64066 0.00010 -0.00128 0.00068 -0.00059 2.64008 R11 2.76759 -0.00007 0.00103 -0.00086 0.00019 2.76777 R12 2.58282 -0.00004 0.00109 -0.00059 0.00050 2.58332 R13 1.88302 0.00002 0.00031 -0.00016 0.00015 1.88317 R14 2.28545 -0.00004 -0.00026 -0.00005 -0.00031 2.28514 R15 2.57030 0.00007 0.00004 0.00028 0.00031 2.57061 R16 2.65096 -0.00031 0.00090 -0.00104 -0.00016 2.65081 R17 2.50776 0.00011 -0.00028 0.00017 -0.00011 2.50764 R18 2.01734 0.00008 0.00032 -0.00009 0.00023 2.01757 R19 2.67435 0.00088 -0.00359 0.00312 -0.00047 2.67388 R20 2.74425 0.00027 -0.00225 0.00173 -0.00051 2.74373 R21 2.52505 0.00031 0.00140 -0.00061 0.00080 2.52585 R22 1.78662 0.00007 0.00121 -0.00041 0.00080 1.78742 A1 1.94280 0.00009 -0.00004 0.00040 0.00036 1.94316 A2 1.95676 -0.00021 0.00039 -0.00031 0.00008 1.95684 A3 1.91472 0.00004 -0.00106 0.00050 -0.00056 1.91416 A4 1.87658 0.00001 0.00020 -0.00039 -0.00019 1.87639 A5 1.91995 -0.00000 0.00040 -0.00033 0.00007 1.92003 A6 1.85050 0.00008 0.00016 0.00008 0.00025 1.85074 A7 1.91940 -0.00000 -0.00136 0.00112 -0.00024 1.91916 A8 1.92262 -0.00002 -0.00019 -0.00031 -0.00050 1.92213 A9 1.94533 -0.00004 0.00169 -0.00072 0.00097 1.94629 A10 1.88401 0.00001 -0.00014 -0.00011 -0.00025 1.88376 A11 1.89247 0.00004 0.00010 0.00014 0.00024 1.89270 A12 1.89866 0.00002 -0.00014 -0.00010 -0.00025 1.89842 A13 1.90839 0.00004 0.00087 -0.00026 0.00061 1.90900 A14 2.06771 -0.00013 0.00110 -0.00080 0.00031 2.06802 A15 2.24295 0.00012 -0.00130 0.00074 -0.00055 2.24240 A16 1.97246 0.00001 0.00013 0.00008 0.00024 1.97270 A17 2.25490 -0.00002 -0.00021 -0.00010 -0.00019 2.25471 A18 2.02020 0.00001 0.00102 -0.00042 0.00071 2.02091 A19 2.00614 0.00001 -0.00108 0.00047 -0.00050 2.00564 A20 2.11462 0.00006 -0.00061 0.00037 -0.00023 2.11440 A21 1.99158 -0.00005 0.00028 -0.00019 0.00007 1.99165 A22 2.17667 -0.00000 0.00035 -0.00019 0.00018 2.17684 A23 2.08143 0.00004 0.00026 -0.00006 0.00036 2.08179 A24 2.08818 -0.00010 -0.00032 -0.00001 -0.00018 2.08801 A25 2.11317 0.00007 -0.00023 0.00003 -0.00010 2.11307 A26 2.16554 0.00005 -0.00024 0.00034 0.00008 2.16563 A27 2.06077 -0.00001 -0.00067 0.00069 0.00003 2.06080 A28 2.05687 -0.00004 0.00091 -0.00104 -0.00012 2.05675 A29 2.06464 -0.00006 0.00025 -0.00028 -0.00002 2.06462 A30 2.08965 0.00020 -0.00131 0.00101 -0.00030 2.08934 A31 2.12525 -0.00015 0.00107 -0.00080 0.00027 2.12553 A32 1.80390 0.00001 0.00236 -0.00118 0.00119 1.80509 A33 1.93509 0.00002 -0.00141 0.00044 -0.00098 1.93411 A34 1.91732 -0.00013 0.00044 -0.00110 -0.00065 1.91667 A35 1.78507 -0.00002 0.00122 -0.00033 0.00089 1.78595 D1 1.07821 0.00004 -0.00263 -0.00153 -0.00415 1.07406 D2 -3.13051 0.00004 -0.00375 -0.00116 -0.00491 -3.13542 D3 -1.02116 0.00002 -0.00294 -0.00198 -0.00492 -1.02608 D4 -3.10208 -0.00003 -0.00214 -0.00196 -0.00410 -3.10617 D5 -1.02760 -0.00004 -0.00326 -0.00159 -0.00486 -1.03246 D6 1.08174 -0.00005 -0.00245 -0.00241 -0.00486 1.07687 D7 -1.05096 -0.00004 -0.00238 -0.00173 -0.00410 -1.05507 D8 1.02351 -0.00005 -0.00351 -0.00136 -0.00486 1.01864 D9 3.13285 -0.00006 -0.00269 -0.00218 -0.00487 3.12798 D10 -0.75650 0.00000 0.01356 0.00587 0.01944 -0.73706 D11 -2.90598 0.00021 0.01298 0.00627 0.01924 -2.88673 D12 1.36964 0.00011 0.01247 0.00655 0.01902 1.38866 D13 2.09830 -0.00006 -0.00403 0.00013 -0.00390 2.09440 D14 -1.07344 0.00002 0.00043 -0.00112 -0.00070 -1.07414 D15 -2.04400 -0.00007 -0.00371 0.00018 -0.00353 -2.04753 D16 1.06745 0.00000 0.00075 -0.00108 -0.00033 1.06712 D17 0.00922 -0.00004 -0.00307 -0.00035 -0.00341 0.00581 D18 3.12067 0.00004 0.00140 -0.00161 -0.00022 3.12045 D19 3.04436 -0.00005 0.00114 -0.00034 0.00079 3.04515 D20 -0.02614 0.00005 -0.00015 0.00061 0.00044 -0.02569 D21 -0.08588 -0.00009 0.00203 -0.00138 0.00064 -0.08523 D22 3.12681 0.00001 0.00073 -0.00042 0.00030 3.12710 D23 -3.06667 -0.00000 -0.00190 0.00038 -0.00154 -3.06821 D24 -0.01504 -0.00004 -0.00171 -0.00043 -0.00215 -0.01719 D25 0.06217 0.00005 -0.00289 0.00153 -0.00137 0.06080 D26 3.11380 0.00001 -0.00269 0.00072 -0.00198 3.11182 D27 -3.08506 0.00006 -0.00102 0.00076 -0.00026 -3.08532 D28 0.03090 0.00009 0.00015 0.00033 0.00047 0.03137 D29 -0.01409 -0.00003 0.00037 -0.00022 0.00013 -0.01396 D30 3.10187 -0.00001 0.00154 -0.00065 0.00086 3.10273 D31 -3.12375 0.00004 0.00306 -0.00071 0.00236 -3.12139 D32 0.04843 -0.00004 -0.00145 0.00057 -0.00088 0.04755 D33 -0.00885 0.00006 0.00426 -0.00115 0.00311 -0.00574 D34 -3.11985 -0.00001 -0.00024 0.00013 -0.00013 -3.11998 D35 3.10465 -0.00008 -0.00413 0.00098 -0.00315 3.10149 D36 -0.03855 -0.00008 -0.00440 0.00083 -0.00357 -0.04212 D37 -0.06766 0.00000 0.00041 -0.00031 0.00011 -0.06754 D38 3.07233 -0.00001 0.00015 -0.00045 -0.00030 3.07203 D39 0.00605 -0.00001 0.00195 -0.00084 0.00111 0.00716 D40 -3.04365 0.00001 0.00188 -0.00011 0.00177 -3.04188 D41 -3.13394 -0.00000 0.00222 -0.00070 0.00152 -3.13242 D42 0.09955 0.00001 0.00215 0.00004 0.00218 0.10173 D43 1.09250 0.00009 -0.00858 0.00354 -0.00504 1.08746 D44 -3.13724 -0.00005 -0.00740 0.00181 -0.00560 3.14034 D45 -2.14227 0.00006 -0.00842 0.00273 -0.00569 -2.14796 D46 -0.08883 -0.00008 -0.00725 0.00100 -0.00625 -0.09508 D47 -2.00351 -0.00001 0.03258 -0.00496 0.02762 -1.97589 D48 2.21383 0.00002 0.03274 -0.00432 0.02842 2.24225 Item Value Threshold Converged? Maximum Force 0.000880 0.000450 NO RMS Force 0.000119 0.000300 YES Maximum Displacement 0.037561 0.001800 NO RMS Displacement 0.006557 0.001200 NO Predicted change in Energy=-5.304988D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.960058 -4.918935 2.008534 2 6 0 7.013340 -5.124105 3.518618 3 8 0 6.846009 -6.142980 1.330460 4 8 0 2.774751 -1.709501 0.675145 5 6 0 3.614788 -2.518688 0.948933 6 7 0 4.947135 -2.223394 0.649849 7 6 0 6.077533 -2.929557 0.953674 8 8 0 7.174343 -2.506560 0.670216 9 7 0 5.843476 -4.097143 1.611240 10 6 0 4.535522 -4.527773 1.878655 11 6 0 3.447708 -3.823835 1.592248 12 1 0 7.844488 -4.397567 1.681904 13 1 0 7.886878 -5.717447 3.782375 14 1 0 7.094982 -4.167761 4.022382 15 1 0 5.106766 -1.349229 0.198819 16 1 0 4.405023 -5.481854 2.339714 17 7 0 2.158241 -4.249929 1.989509 18 1 0 6.130179 -5.634705 3.881370 19 1 0 7.422540 -6.778475 1.730345 20 8 0 1.426186 -4.321027 0.737665 21 8 0 2.210763 -5.460767 2.553129 22 1 0 0.788293 -3.629768 0.837217 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524889 0.000000 3 O 1.403952 2.419533 0.000000 4 O 5.440145 6.140887 6.054776 0.000000 5 C 4.251444 4.994161 4.870509 1.198083 0.000000 6 N 3.628199 4.573092 4.408187 2.232482 1.397068 7 C 2.418512 3.502958 3.325449 3.531924 2.496788 8 O 2.767050 3.871803 3.710428 4.471212 3.570471 9 N 1.442199 2.461976 2.295509 3.999273 2.810200 10 C 2.459319 3.030623 2.871892 3.534318 2.397616 11 C 3.702586 4.256212 4.122551 2.400907 1.464643 12 H 1.077371 2.142938 2.041309 5.825933 4.685915 13 H 2.154792 1.088435 2.697475 7.200858 6.042451 14 H 2.153613 1.083991 3.348122 5.992615 4.927199 15 H 4.410505 5.376410 5.223565 2.407275 2.038701 16 H 2.637188 2.884635 2.722884 4.433872 3.367358 17 N 4.848234 5.164721 5.098348 2.925988 2.490286 18 H 2.169917 1.082717 2.697758 6.078322 4.963461 19 H 1.936277 2.470284 0.946651 6.957721 5.766747 20 O 5.709321 6.292451 5.748514 2.939830 2.843069 21 O 4.811026 4.910220 4.842091 4.232835 3.633257 22 H 6.412847 6.940761 6.576887 2.767617 3.039087 6 7 8 9 10 6 N 0.000000 7 C 1.367032 0.000000 8 O 2.245229 1.209242 0.000000 9 N 2.288807 1.360306 2.277430 0.000000 10 C 2.643777 2.405760 3.536807 1.402746 0.000000 11 C 2.387008 2.850174 4.058715 2.411382 1.326989 12 H 3.766540 2.409875 2.246890 2.024672 3.317366 13 H 5.537438 4.364357 4.528028 3.393332 4.033740 14 H 4.446099 3.461982 3.742046 2.717510 3.357977 15 H 0.996531 2.002407 2.415886 3.176273 3.640235 16 H 3.710404 3.351510 4.394171 2.125381 1.067650 17 N 3.698575 4.263471 5.471850 3.707747 2.396028 18 H 4.845552 3.986477 4.602943 2.756771 2.789103 19 H 5.295646 4.150473 4.408484 3.114027 3.663677 20 O 4.099373 4.859823 6.028113 4.508405 3.318520 21 O 4.646589 4.890520 6.075346 3.992897 2.594204 22 H 4.394196 5.336658 6.486225 5.135409 3.991582 11 12 13 14 15 11 C 0.000000 12 H 4.434961 0.000000 13 H 5.299874 2.481101 0.000000 14 H 4.396186 2.468280 1.756766 0.000000 15 H 3.289041 4.357410 6.297001 5.149443 0.000000 16 H 2.055283 3.665831 3.776254 3.434253 4.706853 17 N 1.414954 5.696474 6.179422 5.339544 4.507152 18 H 3.964213 3.050741 1.761431 1.761435 5.742287 19 H 4.954620 2.418493 2.356314 3.489491 6.097958 20 O 2.250347 6.487838 7.277417 6.553481 4.761156 21 O 2.265584 5.798990 5.813365 5.261765 5.552868 22 H 2.771320 7.147929 7.963810 7.085833 4.925202 16 17 18 19 20 16 H 0.000000 17 N 2.586177 0.000000 18 H 2.318670 4.612270 0.000000 19 H 3.340354 5.845815 2.757773 0.000000 20 O 3.575969 1.451921 5.808286 6.555969 0.000000 21 O 2.204715 1.336620 4.142017 5.438377 2.282647 22 H 4.332257 1.894501 6.467023 7.397652 0.945862 21 22 21 O 0.000000 22 H 2.884498 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.478613 -0.478715 -0.090999 2 6 0 2.779078 -1.314150 1.148782 3 8 0 2.526505 -1.259380 -1.256909 4 8 0 -2.418593 1.852377 0.331578 5 6 0 -1.400956 1.239621 0.175534 6 7 0 -0.211346 1.953818 0.012595 7 6 0 1.070643 1.487657 -0.076714 8 8 0 2.007923 2.247130 -0.160214 9 7 0 1.173486 0.132013 -0.031053 10 6 0 0.030957 -0.678686 0.040318 11 6 0 -1.206923 -0.211745 0.142877 12 1 0 3.183979 0.332604 -0.161348 13 1 0 3.783504 -1.728307 1.083269 14 1 0 2.730866 -0.694476 2.036879 15 1 0 -0.297817 2.946586 0.015366 16 1 0 0.163435 -1.737607 0.008513 17 7 0 -2.314691 -1.071766 0.330787 18 1 0 2.077676 -2.131952 1.256071 19 1 0 3.270392 -1.843253 -1.213624 20 8 0 -3.180891 -0.755664 -0.790752 21 8 0 -1.938110 -2.352581 0.265576 22 1 0 -3.927320 -0.360990 -0.364451 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0294935 0.5454329 0.3926425 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.4130776860 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.78D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000161 -0.000062 -0.000246 Ang= 0.03 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410905375 A.U. after 11 cycles NFock= 11 Conv=0.89D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000237128 -0.000229045 0.000029324 2 6 0.000049125 0.000097266 0.000009301 3 8 0.000320404 -0.000024725 0.000055685 4 8 0.000061606 0.000111133 -0.000075818 5 6 -0.000061871 -0.000170338 0.000495819 6 7 0.000262457 -0.000165670 -0.000321543 7 6 -0.000176411 0.000023581 0.000208459 8 8 0.000159871 0.000041401 0.000031490 9 7 -0.000436238 0.000040955 -0.000220153 10 6 0.000418539 -0.000064542 0.000157809 11 6 0.000664714 0.000706793 -0.000574071 12 1 -0.000072432 0.000032492 -0.000090433 13 1 -0.000007271 0.000021014 0.000008616 14 1 0.000003827 0.000001272 -0.000001677 15 1 -0.000066584 -0.000016157 0.000065771 16 1 0.000007754 0.000015130 -0.000042058 17 7 -0.000590708 -0.000207220 0.000636748 18 1 -0.000101971 -0.000004154 -0.000064020 19 1 -0.000304624 0.000115179 -0.000011973 20 8 -0.000423685 -0.000017123 -0.000301695 21 8 -0.000177136 -0.000074371 -0.000024503 22 1 0.000233506 -0.000232870 0.000028922 ------------------------------------------------------------------- Cartesian Forces: Max 0.000706793 RMS 0.000243377 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001128448 RMS 0.000153994 Search for a local minimum. Step number 19 out of a maximum of 115 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 16 17 18 19 DE= -5.63D-06 DEPred=-5.30D-06 R= 1.06D+00 TightC=F SS= 1.41D+00 RLast= 5.58D-02 DXNew= 3.3560D+00 1.6753D-01 Trust test= 1.06D+00 RLast= 5.58D-02 DXMaxT set to 2.00D+00 ITU= 1 1 1 1 1 1 0 1 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00084 0.00320 0.00430 0.00566 0.00878 Eigenvalues --- 0.01524 0.01632 0.01909 0.02047 0.02119 Eigenvalues --- 0.02336 0.02557 0.03345 0.05236 0.05560 Eigenvalues --- 0.05633 0.05791 0.05903 0.08203 0.10470 Eigenvalues --- 0.15110 0.15962 0.15983 0.16019 0.16191 Eigenvalues --- 0.16434 0.17329 0.18354 0.21033 0.21623 Eigenvalues --- 0.23844 0.24180 0.24573 0.25065 0.25595 Eigenvalues --- 0.26276 0.30145 0.30793 0.33709 0.34098 Eigenvalues --- 0.34825 0.34856 0.34901 0.35014 0.35137 Eigenvalues --- 0.37707 0.40024 0.40877 0.42460 0.42968 Eigenvalues --- 0.44663 0.45810 0.48373 0.49377 0.50289 Eigenvalues --- 0.58572 0.69443 0.83458 0.90382 0.98202 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 19 18 17 16 15 14 13 12 RFO step: Lambda=-1.29251242D-05. DidBck=F Rises=F RFO-DIIS coefs: 2.48218 -1.74711 -0.06593 0.25763 0.33718 RFO-DIIS coefs: -0.39450 0.04208 0.08848 Iteration 1 RMS(Cart)= 0.00776015 RMS(Int)= 0.00004081 Iteration 2 RMS(Cart)= 0.00004545 RMS(Int)= 0.00000920 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000920 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88162 -0.00006 -0.00003 -0.00008 -0.00011 2.88151 R2 2.65308 -0.00010 0.00026 -0.00038 -0.00012 2.65297 R3 2.72536 0.00007 0.00033 -0.00009 0.00024 2.72560 R4 2.03594 -0.00002 0.00006 -0.00003 0.00003 2.03597 R5 2.05684 -0.00002 -0.00006 -0.00000 -0.00006 2.05679 R6 2.04845 0.00000 0.00009 -0.00001 0.00008 2.04853 R7 2.04604 0.00006 -0.00003 0.00014 0.00011 2.04614 R8 1.78891 -0.00027 0.00043 -0.00007 0.00036 1.78927 R9 2.26405 0.00005 0.00035 -0.00006 0.00029 2.26434 R10 2.64008 0.00015 -0.00038 0.00039 0.00001 2.64009 R11 2.76777 -0.00014 0.00034 -0.00065 -0.00030 2.76747 R12 2.58332 -0.00015 0.00068 -0.00051 0.00017 2.58349 R13 1.88317 -0.00005 0.00020 -0.00011 0.00010 1.88327 R14 2.28514 0.00015 -0.00031 0.00013 -0.00017 2.28496 R15 2.57061 -0.00017 0.00033 -0.00011 0.00022 2.57083 R16 2.65081 -0.00023 -0.00010 -0.00065 -0.00076 2.65005 R17 2.50764 0.00021 -0.00038 0.00051 0.00013 2.50777 R18 2.01757 -0.00003 0.00041 -0.00013 0.00028 2.01784 R19 2.67388 0.00113 -0.00127 0.00259 0.00132 2.67520 R20 2.74373 0.00034 -0.00028 0.00082 0.00054 2.74427 R21 2.52585 0.00005 0.00087 -0.00029 0.00058 2.52643 R22 1.78742 -0.00032 0.00068 -0.00010 0.00058 1.78800 A1 1.94316 0.00008 0.00033 0.00027 0.00061 1.94377 A2 1.95684 -0.00028 0.00027 -0.00114 -0.00087 1.95597 A3 1.91416 0.00009 -0.00085 0.00068 -0.00017 1.91400 A4 1.87639 0.00009 -0.00000 -0.00001 -0.00001 1.87638 A5 1.92003 -0.00004 0.00028 0.00008 0.00036 1.92039 A6 1.85074 0.00006 -0.00001 0.00009 0.00007 1.85081 A7 1.91916 0.00005 -0.00024 0.00024 0.00000 1.91917 A8 1.92213 0.00001 -0.00052 0.00003 -0.00048 1.92164 A9 1.94629 -0.00014 0.00099 -0.00059 0.00040 1.94670 A10 1.88376 -0.00001 -0.00029 0.00007 -0.00022 1.88353 A11 1.89270 0.00006 0.00022 0.00024 0.00046 1.89316 A12 1.89842 0.00004 -0.00019 0.00002 -0.00017 1.89825 A13 1.90900 0.00004 0.00072 0.00012 0.00084 1.90984 A14 2.06802 -0.00018 0.00064 -0.00080 -0.00015 2.06787 A15 2.24240 0.00014 -0.00054 0.00070 0.00016 2.24256 A16 1.97270 0.00004 -0.00013 0.00012 0.00000 1.97270 A17 2.25471 0.00001 -0.00038 0.00020 -0.00015 2.25456 A18 2.02091 -0.00007 0.00055 -0.00046 0.00014 2.02105 A19 2.00564 0.00005 -0.00055 0.00024 -0.00028 2.00536 A20 2.11440 0.00009 -0.00012 0.00036 0.00024 2.11464 A21 1.99165 -0.00008 0.00032 -0.00044 -0.00012 1.99153 A22 2.17684 -0.00002 -0.00017 0.00007 -0.00010 2.17675 A23 2.08179 -0.00004 0.00040 -0.00025 0.00019 2.08197 A24 2.08801 -0.00010 0.00000 -0.00014 -0.00010 2.08791 A25 2.11307 0.00014 -0.00033 0.00037 0.00006 2.11314 A26 2.16563 0.00002 0.00011 0.00011 0.00021 2.16583 A27 2.06080 -0.00001 -0.00022 0.00042 0.00021 2.06101 A28 2.05675 -0.00000 0.00011 -0.00053 -0.00042 2.05633 A29 2.06462 -0.00014 0.00032 -0.00042 -0.00009 2.06453 A30 2.08934 0.00025 -0.00016 0.00068 0.00051 2.08986 A31 2.12553 -0.00011 -0.00021 -0.00027 -0.00048 2.12505 A32 1.80509 0.00015 0.00169 -0.00132 0.00038 1.80547 A33 1.93411 0.00021 -0.00249 0.00199 -0.00050 1.93361 A34 1.91667 -0.00027 -0.00002 -0.00064 -0.00065 1.91602 A35 1.78595 -0.00011 0.00256 -0.00251 0.00004 1.78599 D1 1.07406 0.00002 -0.00516 0.00019 -0.00496 1.06909 D2 -3.13542 0.00004 -0.00598 0.00044 -0.00554 -3.14096 D3 -1.02608 0.00001 -0.00592 0.00011 -0.00581 -1.03189 D4 -3.10617 -0.00000 -0.00474 -0.00041 -0.00516 -3.11133 D5 -1.03246 0.00002 -0.00557 -0.00016 -0.00573 -1.03819 D6 1.07687 -0.00001 -0.00551 -0.00050 -0.00600 1.07087 D7 -1.05507 -0.00004 -0.00514 -0.00057 -0.00571 -1.06078 D8 1.01864 -0.00002 -0.00597 -0.00031 -0.00628 1.01236 D9 3.12798 -0.00005 -0.00591 -0.00065 -0.00655 3.12142 D10 -0.73706 -0.00002 0.01354 0.00657 0.02011 -0.71695 D11 -2.88673 0.00021 0.01300 0.00782 0.02082 -2.86592 D12 1.38866 0.00012 0.01287 0.00768 0.02055 1.40921 D13 2.09440 -0.00005 -0.01184 0.00022 -0.01162 2.08278 D14 -1.07414 0.00001 -0.00334 -0.00088 -0.00423 -1.07837 D15 -2.04753 -0.00007 -0.01126 -0.00017 -0.01143 -2.05895 D16 1.06712 -0.00000 -0.00276 -0.00127 -0.00403 1.06308 D17 0.00581 -0.00005 -0.01095 -0.00003 -0.01098 -0.00517 D18 3.12045 0.00002 -0.00245 -0.00113 -0.00358 3.11687 D19 3.04515 -0.00004 -0.00367 0.00082 -0.00287 3.04229 D20 -0.02569 0.00005 0.00119 0.00113 0.00231 -0.02338 D21 -0.08523 -0.00009 -0.00276 -0.00085 -0.00362 -0.08885 D22 3.12710 -0.00000 0.00210 -0.00054 0.00156 3.12866 D23 -3.06821 0.00001 0.00064 -0.00066 -0.00004 -3.06825 D24 -0.01719 -0.00002 -0.00001 -0.00078 -0.00080 -0.01799 D25 0.06080 0.00006 -0.00039 0.00120 0.00080 0.06160 D26 3.11182 0.00003 -0.00103 0.00108 0.00004 3.11186 D27 -3.08532 0.00009 0.00317 0.00068 0.00385 -3.08147 D28 0.03137 0.00007 0.00484 0.00010 0.00494 0.03631 D29 -0.01396 -0.00001 -0.00162 0.00035 -0.00128 -0.01524 D30 3.10273 -0.00002 0.00005 -0.00023 -0.00019 3.10254 D31 -3.12139 0.00003 0.00489 -0.00082 0.00407 -3.11732 D32 0.04755 -0.00003 -0.00373 0.00030 -0.00343 0.04412 D33 -0.00574 0.00002 0.00663 -0.00142 0.00521 -0.00052 D34 -3.11998 -0.00004 -0.00199 -0.00029 -0.00229 -3.12227 D35 3.10149 -0.00005 -0.00757 0.00128 -0.00629 3.09521 D36 -0.04212 -0.00007 -0.00851 0.00137 -0.00714 -0.04926 D37 -0.06754 0.00002 0.00109 0.00015 0.00124 -0.06630 D38 3.07203 -0.00001 0.00015 0.00024 0.00039 3.07242 D39 0.00716 -0.00004 0.00113 -0.00097 0.00017 0.00733 D40 -3.04188 -0.00003 0.00179 -0.00090 0.00089 -3.04099 D41 -3.13242 -0.00002 0.00207 -0.00106 0.00102 -3.13140 D42 0.10173 -0.00000 0.00273 -0.00099 0.00174 0.10347 D43 1.08746 0.00016 -0.00425 0.00264 -0.00161 1.08585 D44 3.14034 0.00002 -0.00449 0.00210 -0.00240 3.13794 D45 -2.14796 0.00012 -0.00489 0.00251 -0.00237 -2.15034 D46 -0.09508 -0.00001 -0.00513 0.00197 -0.00317 -0.09825 D47 -1.97589 0.00009 0.01380 -0.00557 0.00824 -1.96765 D48 2.24225 -0.00011 0.01580 -0.00687 0.00892 2.25117 Item Value Threshold Converged? Maximum Force 0.001128 0.000450 NO RMS Force 0.000154 0.000300 YES Maximum Displacement 0.030907 0.001800 NO RMS Displacement 0.007760 0.001200 NO Predicted change in Energy=-6.377576D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.960966 -4.920482 2.005868 2 6 0 7.015055 -5.117752 3.516916 3 8 0 6.846016 -6.147555 1.333568 4 8 0 2.774471 -1.708507 0.682859 5 6 0 3.614743 -2.519068 0.952502 6 7 0 4.946692 -2.222949 0.652438 7 6 0 6.077626 -2.929108 0.954677 8 8 0 7.174312 -2.503985 0.674324 9 7 0 5.843895 -4.100346 1.606076 10 6 0 4.536505 -4.531921 1.872626 11 6 0 3.448293 -3.826807 1.590332 12 1 0 7.845137 -4.400523 1.676251 13 1 0 7.885726 -5.714290 3.782806 14 1 0 7.103002 -4.158903 4.014919 15 1 0 5.106162 -1.346253 0.206178 16 1 0 4.406039 -5.488458 2.328921 17 7 0 2.158986 -4.255021 1.988322 18 1 0 6.129374 -5.620919 3.884055 19 1 0 7.409071 -6.786931 1.746701 20 8 0 1.423358 -4.318672 0.737841 21 8 0 2.212965 -5.469883 2.543812 22 1 0 0.790607 -3.622665 0.840007 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524831 0.000000 3 O 1.403890 2.419934 0.000000 4 O 5.440025 6.134931 6.058551 0.000000 5 C 4.251303 4.989138 4.873628 1.198238 0.000000 6 N 3.628465 4.567630 4.412924 2.232514 1.397073 7 C 2.418855 3.497714 3.330522 3.531938 2.496785 8 O 2.767306 3.864903 3.717254 4.471181 3.570454 9 N 1.442326 2.461309 2.295555 3.999323 2.810110 10 C 2.459013 3.031518 2.869617 3.534398 2.397467 11 C 3.702386 4.254416 4.122659 2.400987 1.464483 12 H 1.077387 2.142779 2.041518 5.826270 4.686141 13 H 2.154721 1.088404 2.695827 7.195894 6.038324 14 H 2.153245 1.084035 3.348197 5.986923 4.922947 15 H 4.410702 5.369270 5.229780 2.407329 2.038829 16 H 2.637160 2.890626 2.716363 4.433911 3.367188 17 N 4.847902 5.163555 5.096924 2.927079 2.491121 18 H 2.170194 1.082773 2.701093 6.067124 4.953671 19 H 1.936904 2.464766 0.946843 6.957130 5.765616 20 O 5.712720 6.295146 5.753688 2.939642 2.843734 21 O 4.809858 4.912330 4.836227 4.233957 3.633808 22 H 6.412245 6.938651 6.579259 2.761234 3.034192 6 7 8 9 10 6 N 0.000000 7 C 1.367122 0.000000 8 O 2.245384 1.209151 0.000000 9 N 2.288890 1.360422 2.277398 0.000000 10 C 2.643570 2.405555 3.536450 1.402346 0.000000 11 C 2.386881 2.850142 4.058588 2.411219 1.327057 12 H 3.767094 2.410357 2.247381 2.024846 3.317058 13 H 5.534129 4.361740 4.524912 3.392940 4.032873 14 H 4.438904 3.453820 3.728729 2.718695 3.363848 15 H 0.996581 2.002355 2.415936 3.176318 3.640060 16 H 3.710317 3.351570 4.394099 2.125274 1.067797 17 N 3.699352 4.264060 5.472313 3.707909 2.396383 18 H 4.836144 3.978665 4.594513 2.753694 2.787292 19 H 5.300061 4.157263 4.421394 3.112441 3.654116 20 O 4.100395 4.862111 6.030804 4.510282 3.320376 21 O 4.646842 4.890449 6.075072 3.992321 2.594051 22 H 4.389468 5.333549 6.483099 5.133299 3.990588 11 12 13 14 15 11 C 0.000000 12 H 4.434948 0.000000 13 H 5.297201 2.482983 0.000000 14 H 4.398387 2.465463 1.756633 0.000000 15 H 3.289005 4.357942 6.292693 5.138568 0.000000 16 H 2.055207 3.665648 3.777963 3.447305 4.706811 17 N 1.415654 5.696566 6.176179 5.344120 4.508083 18 H 3.958308 3.050837 1.761743 1.761411 5.731188 19 H 4.947175 2.426944 2.350209 3.484971 6.105536 20 O 2.251452 6.490498 7.278857 6.559202 4.762456 21 O 2.266023 5.798064 5.811631 5.272123 5.553328 22 H 2.769108 7.146380 7.960884 7.086180 4.920142 16 17 18 19 20 16 H 0.000000 17 N 2.585850 0.000000 18 H 2.325053 4.606893 0.000000 19 H 3.323133 5.833724 2.750543 0.000000 20 O 3.577195 1.452207 5.808709 6.552775 0.000000 21 O 2.203655 1.336927 4.142140 5.419365 2.282608 22 H 4.332366 1.894984 6.462328 7.391802 0.946170 21 22 21 O 0.000000 22 H 2.887607 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.478812 -0.479398 -0.092508 2 6 0 2.778547 -1.304020 1.154594 3 8 0 2.526492 -1.269572 -1.251930 4 8 0 -2.417362 1.852905 0.333783 5 6 0 -1.400135 1.239802 0.175267 6 7 0 -0.210912 1.953881 0.008969 7 6 0 1.071120 1.487610 -0.080514 8 8 0 2.008619 2.246753 -0.163242 9 7 0 1.173527 0.131737 -0.037274 10 6 0 0.031243 -0.678435 0.036086 11 6 0 -1.206437 -0.211424 0.141584 12 1 0 3.184183 0.331360 -0.169223 13 1 0 3.780916 -1.723305 1.090724 14 1 0 2.735727 -0.674949 2.036392 15 1 0 -0.296913 2.946733 0.013672 16 1 0 0.163070 -1.737535 0.002611 17 7 0 -2.313882 -1.072343 0.332529 18 1 0 2.073414 -2.117232 1.272371 19 1 0 3.259652 -1.866158 -1.196493 20 8 0 -3.185077 -0.754815 -0.785102 21 8 0 -1.936831 -2.353092 0.262605 22 1 0 -3.926808 -0.354070 -0.355596 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0295336 0.5454523 0.3925746 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.3904657992 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.78D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000980 -0.000091 0.000113 Ang= 0.11 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410915802 A.U. after 11 cycles NFock= 11 Conv=0.69D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000165505 -0.000280543 0.000048148 2 6 0.000144751 0.000094885 0.000049526 3 8 0.000518493 -0.000156056 0.000181899 4 8 0.000161514 -0.000022639 0.000003613 5 6 -0.000193582 -0.000026188 0.000352914 6 7 0.000381952 -0.000095558 -0.000224982 7 6 -0.000375217 -0.000242454 0.000177939 8 8 0.000264531 0.000140451 0.000032767 9 7 -0.000287326 0.000365635 -0.000328845 10 6 0.000146436 -0.000225431 0.000197534 11 6 0.000358608 0.000541488 -0.000391670 12 1 -0.000080034 -0.000049200 -0.000130976 13 1 0.000017452 0.000008522 0.000064331 14 1 -0.000026721 -0.000027661 -0.000011751 15 1 -0.000110585 -0.000059854 0.000067759 16 1 0.000057650 0.000109469 -0.000050007 17 7 -0.000308206 -0.000377389 0.000419665 18 1 -0.000091794 -0.000027750 -0.000105352 19 1 -0.000473813 0.000332565 -0.000117863 20 8 -0.000522291 0.000238643 -0.000146993 21 8 -0.000196065 0.000225744 -0.000090477 22 1 0.000448742 -0.000466679 0.000002821 ------------------------------------------------------------------- Cartesian Forces: Max 0.000541488 RMS 0.000243590 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000693111 RMS 0.000146769 Search for a local minimum. Step number 20 out of a maximum of 115 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 18 19 20 DE= -1.04D-05 DEPred=-6.38D-06 R= 1.63D+00 TightC=F SS= 1.41D+00 RLast= 4.90D-02 DXNew= 3.3560D+00 1.4701D-01 Trust test= 1.63D+00 RLast= 4.90D-02 DXMaxT set to 2.00D+00 ITU= 1 1 1 1 1 1 1 0 1 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00052 0.00220 0.00418 0.00534 0.00858 Eigenvalues --- 0.01528 0.01610 0.01904 0.02038 0.02113 Eigenvalues --- 0.02415 0.02554 0.03419 0.05314 0.05560 Eigenvalues --- 0.05622 0.05824 0.06016 0.08218 0.10937 Eigenvalues --- 0.15012 0.15978 0.15982 0.16020 0.16189 Eigenvalues --- 0.16860 0.17323 0.18520 0.20305 0.21409 Eigenvalues --- 0.23635 0.24219 0.24596 0.25073 0.25615 Eigenvalues --- 0.25995 0.29908 0.30315 0.33504 0.34472 Eigenvalues --- 0.34841 0.34867 0.34898 0.35137 0.35488 Eigenvalues --- 0.38348 0.39945 0.40724 0.42883 0.43695 Eigenvalues --- 0.44715 0.45682 0.48324 0.49829 0.50269 Eigenvalues --- 0.58521 0.70885 0.84944 0.94905 1.05995 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 20 19 18 17 16 15 14 13 12 RFO step: Lambda=-3.19921261D-05. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. RFO-DIIS uses 6 points instead of 9 DidBck=F Rises=F RFO-DIIS coefs: 2.40871 -2.00000 0.83614 -0.10301 0.22604 RFO-DIIS coefs: -0.36787 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.02767317 RMS(Int)= 0.00093668 Iteration 2 RMS(Cart)= 0.00094866 RMS(Int)= 0.00001302 Iteration 3 RMS(Cart)= 0.00000074 RMS(Int)= 0.00001301 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88151 -0.00001 -0.00031 0.00040 0.00009 2.88161 R2 2.65297 -0.00019 0.00010 -0.00118 -0.00108 2.65189 R3 2.72560 0.00019 0.00010 0.00156 0.00165 2.72726 R4 2.03597 -0.00005 0.00002 -0.00021 -0.00018 2.03578 R5 2.05679 0.00003 -0.00007 0.00016 0.00009 2.05688 R6 2.04853 -0.00003 0.00003 -0.00007 -0.00004 2.04849 R7 2.04614 0.00005 0.00016 0.00029 0.00045 2.04660 R8 1.78927 -0.00056 0.00025 -0.00022 0.00003 1.78931 R9 2.26434 -0.00013 0.00055 0.00041 0.00096 2.26530 R10 2.64009 0.00014 -0.00082 -0.00012 -0.00094 2.63914 R11 2.76747 -0.00013 -0.00018 -0.00071 -0.00090 2.76658 R12 2.58349 -0.00020 0.00051 0.00015 0.00067 2.58415 R13 1.88327 -0.00010 0.00010 0.00004 0.00014 1.88341 R14 2.28496 0.00028 -0.00014 -0.00027 -0.00041 2.28455 R15 2.57083 -0.00030 -0.00009 0.00023 0.00015 2.57098 R16 2.65005 -0.00004 -0.00012 -0.00140 -0.00152 2.64853 R17 2.50777 0.00016 -0.00007 0.00030 0.00023 2.50801 R18 2.01784 -0.00013 0.00017 0.00017 0.00034 2.01818 R19 2.67520 0.00069 -0.00001 0.00313 0.00312 2.67832 R20 2.74427 0.00017 -0.00011 0.00112 0.00101 2.74528 R21 2.52643 -0.00025 0.00066 0.00030 0.00096 2.52738 R22 1.78800 -0.00064 0.00054 0.00041 0.00095 1.78895 A1 1.94377 0.00003 0.00052 0.00136 0.00188 1.94565 A2 1.95597 -0.00018 -0.00114 -0.00058 -0.00171 1.95425 A3 1.91400 0.00010 -0.00026 0.00008 -0.00018 1.91382 A4 1.87638 0.00008 0.00062 -0.00074 -0.00012 1.87625 A5 1.92039 -0.00006 0.00030 -0.00101 -0.00071 1.91968 A6 1.85081 0.00003 -0.00005 0.00083 0.00078 1.85159 A7 1.91917 0.00013 -0.00045 0.00172 0.00127 1.92044 A8 1.92164 0.00002 -0.00025 -0.00140 -0.00165 1.91999 A9 1.94670 -0.00021 0.00057 -0.00009 0.00048 1.94718 A10 1.88353 -0.00003 -0.00014 -0.00062 -0.00076 1.88278 A11 1.89316 0.00004 0.00050 0.00106 0.00156 1.89472 A12 1.89825 0.00006 -0.00024 -0.00068 -0.00092 1.89733 A13 1.90984 -0.00002 0.00157 0.00132 0.00289 1.91272 A14 2.06787 -0.00013 0.00050 -0.00053 -0.00002 2.06784 A15 2.24256 0.00009 -0.00092 0.00018 -0.00074 2.24182 A16 1.97270 0.00005 0.00043 0.00036 0.00077 1.97348 A17 2.25456 0.00002 -0.00011 -0.00048 -0.00065 2.25391 A18 2.02105 -0.00011 0.00049 0.00023 0.00068 2.02173 A19 2.00536 0.00008 -0.00016 -0.00026 -0.00046 2.00490 A20 2.11464 0.00004 -0.00005 -0.00001 -0.00007 2.11457 A21 1.99153 -0.00005 -0.00009 -0.00012 -0.00020 1.99133 A22 2.17675 0.00001 0.00015 0.00017 0.00031 2.17706 A23 2.08197 -0.00003 0.00033 0.00078 0.00105 2.08302 A24 2.08791 -0.00012 -0.00044 -0.00071 -0.00122 2.08669 A25 2.11314 0.00015 0.00018 0.00020 0.00034 2.11347 A26 2.16583 -0.00003 -0.00010 0.00037 0.00028 2.16611 A27 2.06101 -0.00003 -0.00012 0.00031 0.00018 2.06120 A28 2.05633 0.00006 0.00023 -0.00069 -0.00047 2.05587 A29 2.06453 -0.00013 -0.00004 -0.00036 -0.00040 2.06412 A30 2.08986 0.00015 -0.00042 0.00076 0.00034 2.09020 A31 2.12505 -0.00002 0.00042 -0.00050 -0.00008 2.12497 A32 1.80547 0.00007 0.00167 0.00023 0.00190 1.80737 A33 1.93361 0.00026 -0.00093 -0.00117 -0.00210 1.93151 A34 1.91602 -0.00022 -0.00102 -0.00120 -0.00222 1.91380 A35 1.78599 -0.00013 0.00016 0.00075 0.00091 1.78691 D1 1.06909 -0.00000 -0.00171 -0.00908 -0.01078 1.05831 D2 -3.14096 0.00005 -0.00231 -0.00964 -0.01195 3.13028 D3 -1.03189 -0.00000 -0.00241 -0.01150 -0.01391 -1.04581 D4 -3.11133 -0.00000 -0.00133 -0.00948 -0.01081 -3.12214 D5 -1.03819 0.00004 -0.00193 -0.01004 -0.01198 -1.05016 D6 1.07087 -0.00000 -0.00204 -0.01190 -0.01394 1.05693 D7 -1.06078 -0.00001 -0.00226 -0.00876 -0.01101 -1.07179 D8 1.01236 0.00003 -0.00286 -0.00932 -0.01218 1.00018 D9 3.12142 -0.00001 -0.00296 -0.01118 -0.01414 3.10728 D10 -0.71695 0.00002 0.03589 0.06865 0.10454 -0.61241 D11 -2.86592 0.00017 0.03656 0.06901 0.10557 -2.76035 D12 1.40921 0.00013 0.03612 0.06897 0.10509 1.51430 D13 2.08278 -0.00002 -0.00686 -0.02499 -0.03184 2.05094 D14 -1.07837 0.00003 -0.00388 -0.00929 -0.01317 -1.09154 D15 -2.05895 -0.00004 -0.00650 -0.02416 -0.03066 -2.08961 D16 1.06308 0.00001 -0.00352 -0.00846 -0.01198 1.05110 D17 -0.00517 -0.00006 -0.00588 -0.02528 -0.03115 -0.03632 D18 3.11687 -0.00002 -0.00289 -0.00958 -0.01247 3.10439 D19 3.04229 -0.00003 0.00224 -0.00438 -0.00214 3.04014 D20 -0.02338 0.00003 0.00043 0.00442 0.00484 -0.01854 D21 -0.08885 -0.00006 0.00202 -0.00524 -0.00322 -0.09208 D22 3.12866 0.00000 0.00021 0.00355 0.00376 3.13242 D23 -3.06825 0.00002 -0.00253 -0.00067 -0.00320 -3.07145 D24 -0.01799 0.00000 -0.00297 -0.00191 -0.00489 -0.02288 D25 0.06160 0.00005 -0.00228 0.00030 -0.00198 0.05962 D26 3.11186 0.00003 -0.00272 -0.00095 -0.00367 3.10819 D27 -3.08147 0.00009 -0.00038 0.00725 0.00688 -3.07459 D28 0.03631 0.00004 -0.00024 0.00889 0.00864 0.04495 D29 -0.01524 0.00002 0.00146 -0.00146 -0.00001 -0.01525 D30 3.10254 -0.00003 0.00159 0.00017 0.00176 3.10429 D31 -3.11732 0.00002 0.00172 0.00831 0.01004 -3.10728 D32 0.04412 -0.00002 -0.00130 -0.00761 -0.00891 0.03521 D33 -0.00052 -0.00003 0.00186 0.01001 0.01187 0.01135 D34 -3.12227 -0.00007 -0.00116 -0.00591 -0.00708 -3.12935 D35 3.09521 -0.00002 -0.00214 -0.01219 -0.01432 3.08089 D36 -0.04926 -0.00004 -0.00256 -0.01382 -0.01637 -0.06563 D37 -0.06630 0.00003 0.00090 0.00381 0.00470 -0.06160 D38 3.07242 0.00000 0.00048 0.00217 0.00265 3.07507 D39 0.00733 -0.00005 0.00107 0.00017 0.00124 0.00857 D40 -3.04099 -0.00004 0.00157 0.00138 0.00294 -3.03805 D41 -3.13140 -0.00003 0.00149 0.00180 0.00329 -3.12810 D42 0.10347 -0.00002 0.00199 0.00301 0.00499 0.10846 D43 1.08585 0.00017 -0.00328 -0.00332 -0.00659 1.07926 D44 3.13794 0.00007 -0.00398 -0.00513 -0.00911 3.12883 D45 -2.15034 0.00014 -0.00376 -0.00460 -0.00836 -2.15870 D46 -0.09825 0.00004 -0.00446 -0.00641 -0.01088 -0.10912 D47 -1.96765 0.00010 0.03172 0.03865 0.07037 -1.89729 D48 2.25117 -0.00013 0.03238 0.04043 0.07281 2.32398 Item Value Threshold Converged? Maximum Force 0.000693 0.000450 NO RMS Force 0.000147 0.000300 YES Maximum Displacement 0.132552 0.001800 NO RMS Displacement 0.027585 0.001200 NO Predicted change in Energy=-1.615198D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.965208 -4.922856 1.996527 2 6 0 7.025039 -5.100668 3.509822 3 8 0 6.847781 -6.156734 1.338453 4 8 0 2.767325 -1.714070 0.701619 5 6 0 3.611307 -2.524459 0.962299 6 7 0 4.941198 -2.220784 0.662982 7 6 0 6.075171 -2.925348 0.959093 8 8 0 7.170201 -2.491114 0.687308 9 7 0 5.845220 -4.107209 1.592572 10 6 0 4.540269 -4.544530 1.857466 11 6 0 3.449430 -3.838798 1.586503 12 1 0 7.847974 -4.407020 1.657135 13 1 0 7.890380 -5.702840 3.780567 14 1 0 7.126934 -4.135613 3.992909 15 1 0 5.097889 -1.337533 0.228653 16 1 0 4.412855 -5.507558 2.301219 17 7 0 2.161227 -4.273695 1.986695 18 1 0 6.134589 -5.586686 3.889036 19 1 0 7.338927 -6.815489 1.808943 20 8 0 1.414316 -4.316804 0.741414 21 8 0 2.220826 -5.499565 2.518127 22 1 0 0.824933 -3.581625 0.832657 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524880 0.000000 3 O 1.403319 2.421061 0.000000 4 O 5.440158 6.122351 6.065719 0.000000 5 C 4.250952 4.977981 4.879517 1.198745 0.000000 6 N 3.629897 4.554188 4.425271 2.232482 1.396574 7 C 2.420428 3.484320 3.344054 3.532044 2.496267 8 O 2.769377 3.846743 3.736940 4.470942 3.569658 9 N 1.443201 2.460646 2.295704 3.999294 2.809398 10 C 2.458210 3.035400 2.862375 3.534235 2.396869 11 C 3.701891 4.251641 4.121062 2.400574 1.464009 12 H 1.077289 2.142620 2.040452 5.829064 4.687876 13 H 2.155717 1.088452 2.693873 7.185812 6.029528 14 H 2.152080 1.084015 3.347984 5.975169 4.913252 15 H 4.412120 5.351744 5.245806 2.407698 2.038862 16 H 2.636136 2.906852 2.697631 4.433626 3.366611 17 N 4.847652 5.163378 5.092135 2.927533 2.492377 18 H 2.170757 1.083014 2.709072 6.041130 4.930515 19 H 1.938276 2.435596 0.946860 6.939034 5.746730 20 O 5.723199 6.305453 5.767525 2.933674 2.843952 21 O 4.807683 4.921691 4.819981 4.234186 3.633908 22 H 6.391906 6.922140 6.569757 2.697743 2.982999 6 7 8 9 10 6 N 0.000000 7 C 1.367475 0.000000 8 O 2.245468 1.208932 0.000000 9 N 2.289104 1.360503 2.277464 0.000000 10 C 2.643356 2.405150 3.535864 1.401541 0.000000 11 C 2.386678 2.850009 4.058195 2.410787 1.327180 12 H 3.770586 2.413595 2.251807 2.026099 3.316618 13 H 5.526457 4.355474 4.516868 3.393528 4.032771 14 H 4.419551 3.431470 3.692323 2.721252 3.379078 15 H 0.996657 2.002443 2.415696 3.176458 3.639890 16 H 3.710236 3.351478 4.393928 2.124812 1.067977 17 N 3.700661 4.265320 5.473191 3.708754 2.397893 18 H 4.812578 3.958638 4.572322 2.747059 2.784821 19 H 5.307886 4.177621 4.470655 3.100444 3.604456 20 O 4.103455 4.868994 6.038732 4.516781 3.327012 21 O 4.646761 4.890107 6.074454 3.991433 2.593912 22 H 4.338699 5.292606 6.439935 5.104605 3.972548 11 12 13 14 15 11 C 0.000000 12 H 4.435658 0.000000 13 H 5.292504 2.487954 0.000000 14 H 4.404875 2.459554 1.756172 0.000000 15 H 3.288997 4.361797 6.282515 5.110372 0.000000 16 H 2.055180 3.664161 3.784149 3.479982 4.706794 17 N 1.417305 5.697848 6.171193 5.357444 4.509516 18 H 3.945485 3.051014 1.762968 1.761009 5.703372 19 H 4.902893 2.466354 2.330105 3.463580 6.125975 20 O 2.254851 6.499126 7.286765 6.575641 4.765259 21 O 2.266172 5.796530 5.811963 5.301438 5.553529 22 H 2.742700 7.119280 7.944196 7.071726 4.864044 16 17 18 19 20 16 H 0.000000 17 N 2.586730 0.000000 18 H 2.343458 4.596787 0.000000 19 H 3.242671 5.770693 2.699477 0.000000 20 O 3.583590 1.452741 5.813871 6.517980 0.000000 21 O 2.202749 1.337433 4.147834 5.331938 2.281685 22 H 4.328865 1.896430 6.446252 7.337788 0.946671 21 22 21 O 0.000000 22 H 2.909951 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.480344 -0.479646 -0.098784 2 6 0 2.782019 -1.274959 1.166809 3 8 0 2.525451 -1.294299 -1.240541 4 8 0 -2.416470 1.850246 0.334956 5 6 0 -1.398530 1.238196 0.173151 6 7 0 -0.211371 1.953595 0.002043 7 6 0 1.071257 1.488313 -0.089418 8 8 0 2.008069 2.248251 -0.169389 9 7 0 1.174029 0.132173 -0.053489 10 6 0 0.033333 -0.678305 0.025590 11 6 0 -1.204252 -0.212454 0.138617 12 1 0 3.185554 0.329008 -0.195274 13 1 0 3.779982 -1.705424 1.107667 14 1 0 2.752147 -0.621665 2.031334 15 1 0 -0.297511 2.946487 0.010498 16 1 0 0.165276 -1.737449 -0.011556 17 7 0 -2.310624 -1.075371 0.338791 18 1 0 2.068800 -2.076833 1.312532 19 1 0 3.199406 -1.951036 -1.135545 20 8 0 -3.197137 -0.754357 -0.766425 21 8 0 -1.932190 -2.355388 0.254699 22 1 0 -3.904687 -0.298359 -0.333268 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0301234 0.5455997 0.3924022 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.4614385424 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.78D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999996 0.002609 -0.000444 0.000063 Ang= 0.30 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410943643 A.U. after 13 cycles NFock= 13 Conv=0.54D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000117705 -0.000432014 -0.000079976 2 6 0.000303213 0.000221370 0.000090461 3 8 0.001029904 -0.000571309 0.000446037 4 8 0.000168197 -0.000191940 0.000057932 5 6 -0.000297573 0.000219960 0.000253161 6 7 0.000587115 -0.000050294 -0.000128030 7 6 -0.000759156 -0.000700038 0.000281745 8 8 0.000554305 0.000235429 0.000035089 9 7 0.000062597 0.001192971 -0.000353598 10 6 -0.000381851 -0.000436254 0.000216008 11 6 -0.000232843 0.000209017 0.000010132 12 1 -0.000128237 -0.000099307 -0.000204589 13 1 0.000007901 0.000024313 0.000032388 14 1 -0.000105487 -0.000064832 0.000014034 15 1 -0.000190320 -0.000118695 0.000061047 16 1 0.000125702 0.000262883 -0.000036310 17 7 0.000534298 -0.000539470 0.000051592 18 1 -0.000070439 -0.000080468 -0.000162915 19 1 -0.000700733 0.000500045 -0.000340861 20 8 -0.000554186 0.000388964 -0.000057945 21 8 -0.000362338 0.000770362 -0.000274367 22 1 0.000527638 -0.000740694 0.000088966 ------------------------------------------------------------------- Cartesian Forces: Max 0.001192971 RMS 0.000387583 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000895144 RMS 0.000219640 Search for a local minimum. Step number 21 out of a maximum of 115 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 19 20 21 DE= -2.78D-05 DEPred=-1.62D-05 R= 1.72D+00 TightC=F SS= 1.41D+00 RLast= 2.23D-01 DXNew= 3.3560D+00 6.6863D-01 Trust test= 1.72D+00 RLast= 2.23D-01 DXMaxT set to 2.00D+00 ITU= 1 1 1 1 1 1 1 1 0 1 1 1 0 1 -1 1 1 1 0 1 ITU= 0 Eigenvalues --- 0.00017 0.00193 0.00429 0.00591 0.00902 Eigenvalues --- 0.01515 0.01607 0.01898 0.02040 0.02100 Eigenvalues --- 0.02437 0.02554 0.03384 0.05338 0.05564 Eigenvalues --- 0.05677 0.05819 0.06156 0.08206 0.11337 Eigenvalues --- 0.15026 0.15979 0.15991 0.16021 0.16264 Eigenvalues --- 0.16714 0.17413 0.19012 0.20081 0.21915 Eigenvalues --- 0.23534 0.24365 0.24662 0.25131 0.25653 Eigenvalues --- 0.25972 0.30159 0.30647 0.33538 0.34605 Eigenvalues --- 0.34852 0.34868 0.34932 0.35142 0.35789 Eigenvalues --- 0.39096 0.39960 0.40743 0.42901 0.44233 Eigenvalues --- 0.44761 0.45770 0.48427 0.49986 0.52034 Eigenvalues --- 0.58559 0.70583 0.86194 0.95525 1.24159 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 21 20 19 18 17 16 15 14 13 12 RFO step: Lambda=-6.75888304D-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=T Rises=F RFO-DIIS coefs: 0.28947 2.67043 0.04010 -2.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.01199487 RMS(Int)= 0.00011051 Iteration 2 RMS(Cart)= 0.00012040 RMS(Int)= 0.00002332 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00002332 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88161 -0.00003 -0.00034 0.00028 -0.00006 2.88154 R2 2.65189 -0.00001 0.00061 -0.00085 -0.00024 2.65165 R3 2.72726 0.00040 -0.00081 0.00094 0.00013 2.72739 R4 2.03578 -0.00009 0.00025 -0.00017 0.00008 2.03586 R5 2.05688 0.00000 -0.00019 0.00017 -0.00002 2.05686 R6 2.04849 -0.00006 0.00032 -0.00017 0.00015 2.04864 R7 2.04660 0.00004 -0.00006 0.00015 0.00010 2.04670 R8 1.78931 -0.00088 0.00161 -0.00093 0.00068 1.78999 R9 2.26530 -0.00026 0.00063 -0.00009 0.00054 2.26584 R10 2.63914 0.00021 -0.00048 0.00025 -0.00025 2.63890 R11 2.76658 -0.00011 0.00042 -0.00083 -0.00042 2.76615 R12 2.58415 -0.00021 0.00085 -0.00046 0.00038 2.58454 R13 1.88341 -0.00016 0.00038 -0.00019 0.00019 1.88360 R14 2.28455 0.00058 -0.00067 0.00023 -0.00043 2.28412 R15 2.57098 -0.00066 0.00094 -0.00034 0.00062 2.57160 R16 2.64853 0.00032 -0.00071 -0.00050 -0.00120 2.64733 R17 2.50801 0.00002 -0.00014 0.00036 0.00023 2.50823 R18 2.01818 -0.00027 0.00076 -0.00026 0.00050 2.01868 R19 2.67832 -0.00015 -0.00056 0.00236 0.00179 2.68011 R20 2.74528 -0.00000 -0.00069 0.00120 0.00051 2.74580 R21 2.52738 -0.00083 0.00205 -0.00101 0.00104 2.52842 R22 1.78895 -0.00090 0.00206 -0.00108 0.00099 1.78993 A1 1.94565 -0.00012 0.00057 0.00035 0.00092 1.94656 A2 1.95425 -0.00025 -0.00034 -0.00051 -0.00085 1.95340 A3 1.91382 0.00018 -0.00132 0.00092 -0.00040 1.91342 A4 1.87625 0.00039 -0.00032 -0.00048 -0.00080 1.87546 A5 1.91968 -0.00013 0.00136 -0.00068 0.00068 1.92035 A6 1.85159 -0.00008 0.00008 0.00036 0.00044 1.85203 A7 1.92044 0.00009 -0.00136 0.00150 0.00013 1.92057 A8 1.91999 0.00011 -0.00077 -0.00027 -0.00104 1.91895 A9 1.94718 -0.00030 0.00238 -0.00131 0.00107 1.94825 A10 1.88278 -0.00002 -0.00040 -0.00013 -0.00053 1.88224 A11 1.89472 0.00007 0.00026 0.00036 0.00061 1.89534 A12 1.89733 0.00006 -0.00017 -0.00012 -0.00029 1.89704 A13 1.91272 0.00014 0.00081 0.00007 0.00088 1.91360 A14 2.06784 0.00001 0.00034 -0.00052 -0.00018 2.06767 A15 2.24182 -0.00003 -0.00027 0.00034 0.00008 2.24190 A16 1.97348 0.00002 -0.00005 0.00017 0.00010 1.97357 A17 2.25391 0.00003 -0.00022 0.00001 -0.00024 2.25367 A18 2.02173 -0.00017 0.00121 -0.00072 0.00047 2.02220 A19 2.00490 0.00014 -0.00121 0.00061 -0.00062 2.00428 A20 2.11457 0.00007 0.00007 0.00009 0.00015 2.11473 A21 1.99133 -0.00001 0.00004 -0.00021 -0.00015 1.99117 A22 2.17706 -0.00006 -0.00006 0.00008 0.00001 2.17706 A23 2.08302 -0.00013 0.00034 0.00015 0.00035 2.08337 A24 2.08669 -0.00004 0.00032 -0.00048 -0.00031 2.08638 A25 2.11347 0.00016 -0.00031 0.00032 -0.00008 2.11340 A26 2.16611 -0.00009 0.00038 -0.00004 0.00036 2.16647 A27 2.06120 -0.00005 0.00035 0.00010 0.00043 2.06163 A28 2.05587 0.00013 -0.00072 -0.00006 -0.00080 2.05507 A29 2.06412 -0.00012 0.00006 -0.00019 -0.00013 2.06399 A30 2.09020 0.00004 0.00016 0.00045 0.00061 2.09081 A31 2.12497 0.00008 -0.00034 -0.00024 -0.00058 2.12439 A32 1.80737 0.00025 0.00176 -0.00075 0.00101 1.80838 A33 1.93151 0.00038 -0.00145 0.00025 -0.00119 1.93032 A34 1.91380 -0.00036 -0.00101 -0.00005 -0.00106 1.91275 A35 1.78691 -0.00024 0.00121 -0.00054 0.00066 1.78757 D1 1.05831 -0.00013 -0.01038 0.00168 -0.00870 1.04962 D2 3.13028 -0.00004 -0.01219 0.00228 -0.00991 3.12038 D3 -1.04581 -0.00008 -0.01135 0.00108 -0.01026 -1.05607 D4 -3.12214 0.00012 -0.01062 0.00095 -0.00966 -3.13180 D5 -1.05016 0.00022 -0.01243 0.00155 -0.01087 -1.06104 D6 1.05693 0.00017 -0.01158 0.00035 -0.01123 1.04570 D7 -1.07179 -0.00001 -0.01157 0.00168 -0.00990 -1.08168 D8 1.00018 0.00008 -0.01338 0.00228 -0.01110 0.98908 D9 3.10728 0.00004 -0.01254 0.00108 -0.01146 3.09582 D10 -0.61241 0.00010 0.00400 0.02383 0.02783 -0.58458 D11 -2.76035 0.00021 0.00427 0.02457 0.02884 -2.73150 D12 1.51430 0.00016 0.00365 0.02476 0.02841 1.54271 D13 2.05094 0.00000 -0.00795 -0.00694 -0.01489 2.03605 D14 -1.09154 0.00001 -0.00034 -0.00456 -0.00490 -1.09643 D15 -2.08961 -0.00003 -0.00766 -0.00716 -0.01482 -2.10443 D16 1.05110 -0.00003 -0.00005 -0.00478 -0.00483 1.04627 D17 -0.03632 -0.00003 -0.00621 -0.00800 -0.01420 -0.05053 D18 3.10439 -0.00003 0.00141 -0.00562 -0.00422 3.10018 D19 3.04014 0.00001 -0.00252 -0.00105 -0.00358 3.03657 D20 -0.01854 0.00002 0.00197 0.00046 0.00245 -0.01610 D21 -0.09208 -0.00002 -0.00352 -0.00019 -0.00371 -0.09579 D22 3.13242 -0.00001 0.00097 0.00133 0.00231 3.13473 D23 -3.07145 0.00000 -0.00089 0.00113 0.00025 -3.07120 D24 -0.02288 0.00001 -0.00240 0.00137 -0.00102 -0.02390 D25 0.05962 0.00004 0.00024 0.00016 0.00040 0.06002 D26 3.10819 0.00004 -0.00127 0.00040 -0.00087 3.10732 D27 -3.07459 0.00007 0.00215 0.00264 0.00479 -3.06981 D28 0.04495 0.00001 0.00448 0.00081 0.00529 0.05024 D29 -0.01525 0.00005 -0.00224 0.00108 -0.00114 -0.01639 D30 3.10429 -0.00002 0.00010 -0.00075 -0.00064 3.10365 D31 -3.10728 -0.00002 0.00557 0.00100 0.00659 -3.10069 D32 0.03521 -0.00003 -0.00215 -0.00141 -0.00356 0.03165 D33 0.01135 -0.00009 0.00800 -0.00091 0.00711 0.01846 D34 -3.12935 -0.00010 0.00028 -0.00332 -0.00304 -3.13238 D35 3.08089 0.00006 -0.00845 -0.00086 -0.00930 3.07159 D36 -0.06563 0.00002 -0.00950 -0.00116 -0.01064 -0.07627 D37 -0.06160 0.00006 -0.00068 0.00155 0.00087 -0.06073 D38 3.07507 0.00003 -0.00172 0.00126 -0.00047 3.07459 D39 0.00857 -0.00007 0.00167 -0.00085 0.00082 0.00940 D40 -3.03805 -0.00008 0.00318 -0.00113 0.00205 -3.03599 D41 -3.12810 -0.00004 0.00271 -0.00056 0.00216 -3.12595 D42 0.10846 -0.00005 0.00422 -0.00084 0.00339 0.11185 D43 1.07926 0.00021 -0.00855 0.00319 -0.00536 1.07390 D44 3.12883 0.00010 -0.00943 0.00285 -0.00659 3.12224 D45 -2.15870 0.00021 -0.01009 0.00345 -0.00665 -2.16534 D46 -0.10912 0.00010 -0.01097 0.00310 -0.00788 -0.11700 D47 -1.89729 0.00010 0.02139 0.01092 0.03231 -1.86498 D48 2.32398 -0.00031 0.02259 0.01105 0.03364 2.35763 Item Value Threshold Converged? Maximum Force 0.000895 0.000450 NO RMS Force 0.000220 0.000300 YES Maximum Displacement 0.040354 0.001800 NO RMS Displacement 0.011982 0.001200 NO Predicted change in Energy=-2.886171D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.966650 -4.924392 1.993466 2 6 0 7.027116 -5.091743 3.507896 3 8 0 6.848405 -6.162035 1.342926 4 8 0 2.764948 -1.715600 0.712335 5 6 0 3.609955 -2.527268 0.966945 6 7 0 4.938900 -2.221378 0.666292 7 6 0 6.074176 -2.925417 0.959588 8 8 0 7.168473 -2.487561 0.691710 9 7 0 5.845688 -4.111983 1.585459 10 6 0 4.541901 -4.551361 1.849327 11 6 0 3.449978 -3.844841 1.584258 12 1 0 7.849082 -4.410173 1.650627 13 1 0 7.887333 -5.699724 3.781923 14 1 0 7.139678 -4.123714 3.982773 15 1 0 5.094898 -1.334836 0.238237 16 1 0 4.415013 -5.517819 2.286357 17 7 0 2.162463 -4.282993 1.986467 18 1 0 6.132586 -5.565456 3.893178 19 1 0 7.319094 -6.824078 1.830142 20 8 0 1.408077 -4.312803 0.744993 21 8 0 2.224819 -5.515556 2.503279 22 1 0 0.839767 -3.560271 0.833822 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524848 0.000000 3 O 1.403191 2.421685 0.000000 4 O 5.439848 6.113884 6.069848 0.000000 5 C 4.250571 4.970911 4.882669 1.199028 0.000000 6 N 3.630351 4.546906 4.430895 2.232487 1.396444 7 C 2.421015 3.477778 3.349937 3.532108 2.496190 8 O 2.770099 3.838314 3.745436 4.470726 3.569367 9 N 1.443272 2.459973 2.294990 3.999495 2.809339 10 C 2.457506 3.036307 2.858439 3.534382 2.396680 11 C 3.701333 4.248654 4.120308 2.400664 1.463786 12 H 1.077332 2.142338 2.040847 5.830055 4.688598 13 H 2.155777 1.088441 2.691061 7.178750 6.023665 14 H 2.151363 1.084093 3.347892 5.969342 4.909460 15 H 4.412392 5.342143 5.253283 2.407990 2.039109 16 H 2.636057 2.914924 2.688210 4.433636 3.366357 17 N 4.846820 5.160783 5.089499 2.928806 2.493437 18 H 2.171527 1.083065 2.715159 6.023299 4.914986 19 H 1.938994 2.429217 0.947221 6.934427 5.741550 20 O 5.729787 6.309832 5.777053 2.930466 2.843531 21 O 4.805658 4.924523 4.810603 4.235432 3.634390 22 H 6.383127 6.912262 6.567503 2.669062 2.959521 6 7 8 9 10 6 N 0.000000 7 C 1.367679 0.000000 8 O 2.245550 1.208703 0.000000 9 N 2.289437 1.360831 2.277564 0.000000 10 C 2.643105 2.404828 3.535284 1.400907 0.000000 11 C 2.386459 2.849907 4.057840 2.410559 1.327301 12 H 3.772122 2.415021 2.253706 2.026512 3.316152 13 H 5.522618 4.353148 4.514883 3.393183 4.030581 14 H 4.411502 3.422113 3.675448 2.724272 3.388645 15 H 0.996756 2.002319 2.415394 3.176672 3.639705 16 H 3.710201 3.351669 4.393963 2.124727 1.068240 17 N 3.701584 4.266028 5.473584 3.708935 2.398449 18 H 4.797972 3.947045 4.560252 2.742345 2.781365 19 H 5.310811 4.184165 4.485988 3.096167 3.588650 20 O 4.104506 4.872717 6.042889 4.520962 3.331263 21 O 4.646759 4.889719 6.073735 3.990376 2.593490 22 H 4.315507 5.274268 6.420548 5.092013 3.964758 11 12 13 14 15 11 C 0.000000 12 H 4.435777 0.000000 13 H 5.287763 2.491351 0.000000 14 H 4.409595 2.454428 1.755886 0.000000 15 H 3.289022 4.363265 6.277552 5.097109 0.000000 16 H 2.055015 3.663859 3.785078 3.499308 4.706845 17 N 1.418254 5.697947 6.164814 5.365005 4.510778 18 H 3.935481 3.051240 1.763389 1.760932 5.686258 19 H 4.889413 2.477912 2.323041 3.458030 6.132943 20 O 2.256704 6.505090 7.288844 6.585607 4.766313 21 O 2.266473 5.794930 5.808004 5.318078 5.553935 22 H 2.730813 7.107743 7.933269 7.065567 4.838742 16 17 18 19 20 16 H 0.000000 17 N 2.586254 0.000000 18 H 2.352488 4.587171 0.000000 19 H 3.216851 5.750860 2.692220 0.000000 20 O 3.587412 1.453012 5.813879 6.513383 0.000000 21 O 2.200910 1.337982 4.147884 5.302544 2.281502 22 H 4.327151 1.897483 6.433845 7.323030 0.947192 21 22 21 O 0.000000 22 H 2.920376 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.480957 -0.480112 -0.100067 2 6 0 2.781128 -1.261290 1.174617 3 8 0 2.525793 -1.306595 -1.233143 4 8 0 -2.415309 1.849420 0.337889 5 6 0 -1.397591 1.237446 0.172333 6 7 0 -0.211391 1.953243 -0.002653 7 6 0 1.071535 1.488343 -0.094929 8 8 0 2.008114 2.248342 -0.173560 9 7 0 1.174382 0.131804 -0.061959 10 6 0 0.034370 -0.678319 0.019357 11 6 0 -1.203131 -0.212923 0.136508 12 1 0 3.186403 0.327436 -0.204265 13 1 0 3.775312 -1.700646 1.117438 14 1 0 2.760872 -0.595439 2.029889 15 1 0 -0.297077 2.946246 0.008520 16 1 0 0.165588 -1.737713 -0.020689 17 7 0 -2.308618 -1.077440 0.341330 18 1 0 2.061630 -2.054720 1.335309 19 1 0 3.182299 -1.978460 -1.111389 20 8 0 -3.204727 -0.752389 -0.755289 21 8 0 -1.929397 -2.357057 0.246623 22 1 0 -3.895040 -0.272585 -0.318907 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0305191 0.5456867 0.3923205 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.4921269973 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.78D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999999 0.001166 -0.000141 0.000074 Ang= 0.13 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.410929271 A.U. after 12 cycles NFock= 12 Conv=0.66D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000335759 -0.000639802 -0.000124178 2 6 0.000503537 0.000312324 0.000161020 3 8 0.001553925 -0.000934117 0.000776886 4 8 0.000212679 -0.000378606 0.000075920 5 6 -0.000320122 0.000432971 0.000290586 6 7 0.000775351 0.000003892 -0.000101580 7 6 -0.001168995 -0.001143175 0.000496860 8 8 0.000833227 0.000350850 -0.000014956 9 7 0.000268499 0.002006579 -0.000564662 10 6 -0.000847876 -0.000723579 0.000283952 11 6 -0.000607995 0.000020528 0.000226170 12 1 -0.000157510 -0.000236234 -0.000299451 13 1 0.000021091 0.000023238 0.000067012 14 1 -0.000174117 -0.000103083 0.000025947 15 1 -0.000281256 -0.000199120 0.000066691 16 1 0.000211886 0.000454185 -0.000049980 17 7 0.001015865 -0.000741907 -0.000189010 18 1 -0.000070636 -0.000136694 -0.000258458 19 1 -0.000974690 0.000834770 -0.000615064 20 8 -0.000703847 0.000641179 0.000039794 21 8 -0.000507341 0.001278837 -0.000427279 22 1 0.000754083 -0.001123038 0.000133782 ------------------------------------------------------------------- Cartesian Forces: Max 0.002006579 RMS 0.000616002 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001384152 RMS 0.000346439 Search for a local minimum. Step number 22 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 21 22 DE= 1.44D-05 DEPred=-2.89D-05 R=-4.98D-01 Trust test=-4.98D-01 RLast= 8.31D-02 DXMaxT set to 9.98D-01 ITU= -1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 -1 1 1 1 0 ITU= 1 0 Eigenvalues --- 0.00034 0.00171 0.00363 0.00443 0.00838 Eigenvalues --- 0.01478 0.01618 0.01894 0.01985 0.02101 Eigenvalues --- 0.02254 0.02558 0.03323 0.05342 0.05555 Eigenvalues --- 0.05741 0.05782 0.06021 0.08197 0.10530 Eigenvalues --- 0.14948 0.15916 0.15989 0.16022 0.16090 Eigenvalues --- 0.16427 0.17388 0.18310 0.20014 0.21767 Eigenvalues --- 0.23538 0.24256 0.24661 0.25103 0.25655 Eigenvalues --- 0.26003 0.30014 0.30384 0.33130 0.34260 Eigenvalues --- 0.34802 0.34859 0.34878 0.35070 0.35204 Eigenvalues --- 0.37868 0.39934 0.40727 0.42826 0.43128 Eigenvalues --- 0.44713 0.45775 0.47827 0.48962 0.50140 Eigenvalues --- 0.58439 0.68788 0.70839 0.90037 0.96879 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 22 21 20 19 18 17 16 15 14 13 RFO step: Lambda=-1.34967194D-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 EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations DidBck=T Rises=T En-DIIS coefs: 0.61690 0.00000 0.38310 0.00000 0.00000 En-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.02538525 RMS(Int)= 0.00123763 Iteration 2 RMS(Cart)= 0.00120640 RMS(Int)= 0.00000572 Iteration 3 RMS(Cart)= 0.00000187 RMS(Int)= 0.00000560 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000560 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88154 -0.00000 -0.00001 -0.00011 -0.00012 2.88143 R2 2.65165 -0.00004 0.00051 -0.00154 -0.00104 2.65061 R3 2.72739 0.00070 -0.00068 0.00426 0.00357 2.73096 R4 2.03586 -0.00015 0.00004 -0.00074 -0.00070 2.03516 R5 2.05686 0.00002 -0.00003 -0.00004 -0.00007 2.05679 R6 2.04864 -0.00010 -0.00004 -0.00049 -0.00053 2.04811 R7 2.04670 0.00003 -0.00021 0.00101 0.00080 2.04750 R8 1.78999 -0.00138 -0.00027 -0.00185 -0.00212 1.78786 R9 2.26584 -0.00042 -0.00057 0.00083 0.00026 2.26609 R10 2.63890 0.00020 0.00046 -0.00061 -0.00015 2.63874 R11 2.76615 -0.00015 0.00051 -0.00141 -0.00090 2.76525 R12 2.58454 -0.00029 -0.00040 0.00018 -0.00023 2.58431 R13 1.88360 -0.00025 -0.00013 -0.00022 -0.00035 1.88325 R14 2.28412 0.00088 0.00032 0.00049 0.00082 2.28494 R15 2.57160 -0.00103 -0.00030 -0.00174 -0.00204 2.56956 R16 2.64733 0.00067 0.00104 -0.00087 0.00017 2.64750 R17 2.50823 -0.00005 -0.00018 -0.00038 -0.00056 2.50768 R18 2.01868 -0.00046 -0.00032 -0.00046 -0.00078 2.01790 R19 2.68011 -0.00065 -0.00188 0.00398 0.00209 2.68220 R20 2.74580 -0.00016 -0.00058 0.00278 0.00220 2.74799 R21 2.52842 -0.00137 -0.00076 -0.00025 -0.00101 2.52741 R22 1.78993 -0.00133 -0.00074 -0.00014 -0.00088 1.78905 A1 1.94656 -0.00023 -0.00107 0.00218 0.00111 1.94768 A2 1.95340 -0.00026 0.00098 -0.00391 -0.00293 1.95047 A3 1.91342 0.00026 0.00022 0.00100 0.00122 1.91464 A4 1.87546 0.00063 0.00035 0.00433 0.00468 1.88014 A5 1.92035 -0.00024 0.00001 -0.00330 -0.00329 1.91707 A6 1.85203 -0.00015 -0.00046 -0.00047 -0.00093 1.85109 A7 1.92057 0.00016 -0.00054 0.00208 0.00154 1.92211 A8 1.91895 0.00017 0.00103 -0.00040 0.00063 1.91958 A9 1.94825 -0.00046 -0.00059 -0.00286 -0.00346 1.94479 A10 1.88224 -0.00004 0.00049 0.00015 0.00064 1.88289 A11 1.89534 0.00009 -0.00083 0.00242 0.00159 1.89692 A12 1.89704 0.00010 0.00046 -0.00130 -0.00084 1.89620 A13 1.91360 0.00018 -0.00144 0.00601 0.00456 1.91817 A14 2.06767 0.00010 0.00008 0.00021 0.00028 2.06795 A15 2.24190 -0.00015 0.00025 -0.00142 -0.00117 2.24073 A16 1.97357 0.00006 -0.00033 0.00123 0.00090 1.97447 A17 2.25367 0.00003 0.00034 -0.00116 -0.00081 2.25285 A18 2.02220 -0.00024 -0.00044 -0.00041 -0.00084 2.02136 A19 2.00428 0.00022 0.00042 0.00102 0.00144 2.00572 A20 2.11473 0.00005 -0.00003 0.00033 0.00030 2.11503 A21 1.99117 0.00003 0.00014 -0.00014 -0.00001 1.99116 A22 2.17706 -0.00009 -0.00012 -0.00016 -0.00027 2.17679 A23 2.08337 -0.00021 -0.00053 0.00086 0.00036 2.08373 A24 2.08638 0.00001 0.00058 -0.00217 -0.00155 2.08483 A25 2.11340 0.00020 -0.00010 0.00112 0.00103 2.11442 A26 2.16647 -0.00017 -0.00024 -0.00016 -0.00041 2.16606 A27 2.06163 -0.00007 -0.00024 -0.00080 -0.00103 2.06060 A28 2.05507 0.00024 0.00048 0.00096 0.00145 2.05652 A29 2.06399 -0.00015 0.00021 -0.00055 -0.00034 2.06364 A30 2.09081 -0.00009 -0.00036 0.00016 -0.00021 2.09060 A31 2.12439 0.00024 0.00025 0.00022 0.00047 2.12486 A32 1.80838 0.00035 -0.00112 0.00077 -0.00034 1.80804 A33 1.93032 0.00053 0.00126 -0.00082 0.00044 1.93076 A34 1.91275 -0.00048 0.00125 -0.00305 -0.00180 1.91095 A35 1.78757 -0.00036 -0.00060 -0.00099 -0.00160 1.78597 D1 1.04962 -0.00025 0.00746 -0.00236 0.00510 1.05471 D2 3.12038 -0.00010 0.00837 -0.00114 0.00723 3.12761 D3 -1.05607 -0.00017 0.00926 -0.00493 0.00433 -1.05173 D4 -3.13180 0.00020 0.00784 0.00200 0.00984 -3.12196 D5 -1.06104 0.00035 0.00875 0.00322 0.01197 -1.04906 D6 1.04570 0.00029 0.00964 -0.00057 0.00908 1.05478 D7 -1.08168 0.00002 0.00801 -0.00033 0.00768 -1.07401 D8 0.98908 0.00017 0.00892 0.00088 0.00980 0.99888 D9 3.09582 0.00011 0.00981 -0.00290 0.00691 3.10273 D10 -0.58458 0.00015 -0.05071 0.17760 0.12689 -0.45769 D11 -2.73150 0.00021 -0.05149 0.17817 0.12667 -2.60483 D12 1.54271 0.00017 -0.05115 0.17806 0.12691 1.66963 D13 2.03605 0.00003 0.01790 -0.04490 -0.02699 2.00906 D14 -1.09643 0.00001 0.00692 -0.02163 -0.01471 -1.11115 D15 -2.10443 0.00000 0.01742 -0.04169 -0.02427 -2.12870 D16 1.04627 -0.00002 0.00644 -0.01843 -0.01199 1.03427 D17 -0.05053 -0.00004 0.01738 -0.04363 -0.02625 -0.07677 D18 3.10018 -0.00006 0.00639 -0.02036 -0.01397 3.08620 D19 3.03657 0.00005 0.00219 -0.00110 0.00109 3.03766 D20 -0.01610 0.00003 -0.00279 0.00684 0.00405 -0.01205 D21 -0.09579 -0.00000 0.00266 -0.00266 -0.00000 -0.09579 D22 3.13473 -0.00003 -0.00232 0.00528 0.00295 3.13768 D23 -3.07120 -0.00003 0.00113 -0.00514 -0.00401 -3.07522 D24 -0.02390 0.00000 0.00226 -0.00717 -0.00491 -0.02881 D25 0.06002 0.00003 0.00060 -0.00338 -0.00278 0.05725 D26 3.10732 0.00007 0.00174 -0.00541 -0.00367 3.10365 D27 -3.06981 0.00005 -0.00447 0.01041 0.00594 -3.06386 D28 0.05024 0.00000 -0.00534 0.01198 0.00664 0.05688 D29 -0.01639 0.00006 0.00044 0.00247 0.00291 -0.01348 D30 3.10365 0.00001 -0.00043 0.00404 0.00361 3.10727 D31 -3.10069 -0.00007 -0.00637 0.00829 0.00192 -3.09877 D32 0.03165 -0.00005 0.00478 -0.01536 -0.01058 0.02107 D33 0.01846 -0.00012 -0.00727 0.00993 0.00266 0.02112 D34 -3.13238 -0.00010 0.00388 -0.01372 -0.00984 3.14096 D35 3.07159 0.00012 0.00905 -0.01283 -0.00379 3.06781 D36 -0.07627 0.00008 0.01035 -0.01378 -0.00343 -0.07970 D37 -0.06073 0.00010 -0.00213 0.01085 0.00871 -0.05201 D38 3.07459 0.00006 -0.00083 0.00990 0.00907 3.08366 D39 0.00940 -0.00010 -0.00079 -0.00055 -0.00134 0.00806 D40 -3.03599 -0.00012 -0.00191 0.00153 -0.00038 -3.03638 D41 -3.12595 -0.00006 -0.00209 0.00041 -0.00168 -3.12763 D42 0.11185 -0.00007 -0.00321 0.00248 -0.00073 0.11112 D43 1.07390 0.00027 0.00458 0.00716 0.01173 1.08563 D44 3.12224 0.00015 0.00601 0.00364 0.00965 3.13189 D45 -2.16534 0.00029 0.00575 0.00501 0.01076 -2.15458 D46 -0.11700 0.00016 0.00718 0.00149 0.00868 -0.10832 D47 -1.86498 0.00013 -0.03934 0.01098 -0.02835 -1.89333 D48 2.35763 -0.00044 -0.04078 0.01293 -0.02785 2.32978 Item Value Threshold Converged? Maximum Force 0.001384 0.000450 NO RMS Force 0.000346 0.000300 NO Maximum Displacement 0.178575 0.001800 NO RMS Displacement 0.025301 0.001200 NO Predicted change in Energy=-6.930280D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.971152 -4.927917 1.982866 2 6 0 7.038722 -5.080992 3.498442 3 8 0 6.850052 -6.170439 1.343429 4 8 0 2.767210 -1.712755 0.722537 5 6 0 3.613756 -2.524201 0.973351 6 7 0 4.942611 -2.213400 0.677755 7 6 0 6.077968 -2.918262 0.968186 8 8 0 7.173128 -2.474462 0.711910 9 7 0 5.849236 -4.112719 1.576359 10 6 0 4.545854 -4.554484 1.838713 11 6 0 3.453893 -3.846295 1.579799 12 1 0 7.852368 -4.419427 1.629681 13 1 0 7.902769 -5.681800 3.776068 14 1 0 7.146031 -4.108427 3.964541 15 1 0 5.097149 -1.322131 0.259526 16 1 0 4.421023 -5.523677 2.269222 17 7 0 2.165471 -4.287297 1.979893 18 1 0 6.146186 -5.555480 3.888557 19 1 0 7.224596 -6.849451 1.885424 20 8 0 1.414373 -4.322110 0.735200 21 8 0 2.228767 -5.518918 2.497452 22 1 0 0.826686 -3.586356 0.833090 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524785 0.000000 3 O 1.402642 2.422101 0.000000 4 O 5.440480 6.107085 6.076681 0.000000 5 C 4.250774 4.964238 4.889338 1.199163 0.000000 6 N 3.631377 4.535752 4.442929 2.232716 1.396363 7 C 2.421996 3.464483 3.363566 3.531956 2.495526 8 O 2.770481 3.817960 3.763434 4.471289 3.569307 9 N 1.445161 2.459031 2.300022 3.998465 2.807914 10 C 2.458110 3.040774 2.857612 3.533390 2.395769 11 C 3.701822 4.249314 4.122064 2.399672 1.463308 12 H 1.076961 2.142885 2.037799 5.831622 4.689188 13 H 2.156809 1.088404 2.695314 7.172959 6.018412 14 H 2.151554 1.083811 3.348093 5.951798 4.892234 15 H 4.414010 5.328163 5.268170 2.407401 2.038375 16 H 2.634405 2.925628 2.678727 4.432884 3.365683 17 N 4.848192 5.165706 5.088871 2.927678 2.493825 18 H 2.169346 1.083489 2.711325 6.017283 4.909204 19 H 1.940624 2.400797 0.946097 6.899728 5.707699 20 O 5.727257 6.312267 5.773463 2.939228 2.850699 21 O 4.806693 4.932487 4.807548 4.234043 3.634475 22 H 6.393453 6.922964 6.574106 2.699673 2.985902 6 7 8 9 10 6 N 0.000000 7 C 1.367559 0.000000 8 O 2.246002 1.209136 0.000000 9 N 2.288422 1.359750 2.276806 0.000000 10 C 2.643088 2.404665 3.535356 1.400996 0.000000 11 C 2.386695 2.849752 4.058062 2.410117 1.327007 12 H 3.773514 2.416519 2.255340 2.027178 3.315867 13 H 5.512883 4.341802 4.495382 3.393778 4.036467 14 H 4.387385 3.396379 3.640080 2.717555 3.388072 15 H 0.996573 2.002958 2.417066 3.176015 3.639487 16 H 3.709819 3.350575 4.392837 2.123830 1.067828 17 N 3.702583 4.266783 5.474557 3.709911 2.399487 18 H 4.788251 3.935497 4.542947 2.741532 2.786561 19 H 5.306495 4.196466 4.529935 3.078447 3.527707 20 O 4.110769 4.875879 6.047942 4.518784 3.328350 21 O 4.647870 4.890646 6.074831 3.991691 2.594795 22 H 4.341656 5.295335 6.444247 5.104461 3.972500 11 12 13 14 15 11 C 0.000000 12 H 4.435939 0.000000 13 H 5.290102 2.490603 0.000000 14 H 4.403134 2.459107 1.756040 0.000000 15 H 3.288589 4.365982 6.264526 5.068382 0.000000 16 H 2.055300 3.660944 3.797123 3.507521 4.706274 17 N 1.419362 5.699202 6.171505 5.364400 4.510721 18 H 3.937020 3.050278 1.764708 1.760518 5.673764 19 H 4.830171 2.522801 2.323331 3.441237 6.141730 20 O 2.258183 6.500566 7.293485 6.582265 4.773780 21 O 2.267308 5.795411 5.818564 5.321777 5.554183 22 H 2.743603 7.119605 7.944996 7.071963 4.867499 16 17 18 19 20 16 H 0.000000 17 N 2.588409 0.000000 18 H 2.366315 4.593188 0.000000 19 H 3.124900 5.671710 2.617226 0.000000 20 O 3.582867 1.454174 5.818499 6.439656 0.000000 21 O 2.204109 1.337447 4.157245 5.206073 2.280597 22 H 4.328389 1.897057 6.442858 7.258681 0.946727 21 22 21 O 0.000000 22 H 2.910452 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.480233 -0.485261 -0.110303 2 6 0 2.784696 -1.241886 1.178025 3 8 0 2.521393 -1.331640 -1.228049 4 8 0 -2.410872 1.855178 0.334964 5 6 0 -1.393804 1.241658 0.170159 6 7 0 -0.206651 1.955376 -0.006203 7 6 0 1.074970 1.487344 -0.098995 8 8 0 2.014355 2.245053 -0.172770 9 7 0 1.173784 0.131433 -0.073290 10 6 0 0.032773 -0.676764 0.014471 11 6 0 -1.203061 -0.208747 0.135391 12 1 0 3.185835 0.318819 -0.234507 13 1 0 3.780622 -1.678256 1.129687 14 1 0 2.759894 -0.561903 2.021621 15 1 0 -0.291148 2.948272 0.007093 16 1 0 0.163255 -1.735916 -0.023340 17 7 0 -2.310756 -1.070765 0.346400 18 1 0 2.066442 -2.034488 1.350770 19 1 0 3.094202 -2.064715 -1.056026 20 8 0 -3.203949 -0.755863 -0.757079 21 8 0 -1.933647 -2.351282 0.263750 22 1 0 -3.906821 -0.293751 -0.322665 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0295111 0.5458199 0.3922790 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.4094534214 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.77D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999996 0.002624 -0.000333 0.000881 Ang= 0.32 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.411062488 A.U. after 13 cycles NFock= 13 Conv=0.65D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000502965 -0.000246417 -0.000039742 2 6 0.000451631 0.000016866 0.000037535 3 8 0.001340741 -0.000176464 0.000134040 4 8 0.000608024 -0.000478712 0.000219752 5 6 -0.001071010 0.000829897 -0.000277049 6 7 0.000554317 -0.000047518 0.000003435 7 6 -0.000607598 -0.000503350 0.000175171 8 8 0.000415081 0.000192150 -0.000037413 9 7 0.000178964 0.000878626 -0.000023484 10 6 -0.000305704 -0.000357386 0.000056801 11 6 -0.001344047 -0.000337978 0.000429794 12 1 -0.000126433 -0.000219767 -0.000283273 13 1 -0.000034719 -0.000012475 -0.000029921 14 1 -0.000143410 -0.000043939 -0.000001138 15 1 -0.000120499 -0.000052218 0.000017454 16 1 0.000029433 0.000183729 0.000062094 17 7 0.001017568 -0.000917053 -0.000812656 18 1 0.000015890 -0.000038236 -0.000018611 19 1 -0.000766367 0.000204837 -0.000004430 20 8 -0.000018920 0.000866632 0.000449794 21 8 -0.000099478 0.000988221 -0.000076213 22 1 0.000529502 -0.000729444 0.000018059 ------------------------------------------------------------------- Cartesian Forces: Max 0.001344047 RMS 0.000482848 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001480288 RMS 0.000269591 Search for a local minimum. Step number 23 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 DE= -1.33D-04 DEPred=-6.93D-05 R= 1.92D+00 TightC=F SS= 1.41D+00 RLast= 2.33D-01 DXNew= 1.6780D+00 6.9829D-01 Trust test= 1.92D+00 RLast= 2.33D-01 DXMaxT set to 9.98D-01 ITU= 1 -1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 -1 1 1 1 ITU= 0 1 0 Eigenvalues --- -0.00137 0.00162 0.00207 0.00437 0.00805 Eigenvalues --- 0.01477 0.01605 0.01901 0.01978 0.02103 Eigenvalues --- 0.02213 0.02568 0.03308 0.05325 0.05561 Eigenvalues --- 0.05570 0.05758 0.05927 0.08181 0.10032 Eigenvalues --- 0.14801 0.15883 0.15986 0.16021 0.16138 Eigenvalues --- 0.16412 0.17382 0.17910 0.19850 0.21926 Eigenvalues --- 0.23532 0.24205 0.24672 0.25142 0.25656 Eigenvalues --- 0.25941 0.29966 0.30461 0.32687 0.33871 Eigenvalues --- 0.34769 0.34855 0.34877 0.35016 0.35159 Eigenvalues --- 0.37431 0.39899 0.40743 0.42270 0.42947 Eigenvalues --- 0.44701 0.45648 0.47516 0.48696 0.50087 Eigenvalues --- 0.58361 0.66158 0.73055 0.89581 0.96900 Use linear search instead of GDIIS. RFO step: Lambda=-1.59486605D-03 EMin=-1.37050821D-03 Skip linear search -- no minimum in search direction. Iteration 1 RMS(Cart)= 0.05796179 RMS(Int)= 0.06254091 Iteration 2 RMS(Cart)= 0.03134376 RMS(Int)= 0.02883775 Iteration 3 RMS(Cart)= 0.02676479 RMS(Int)= 0.00225316 Iteration 4 RMS(Cart)= 0.00219220 RMS(Int)= 0.00004885 Iteration 5 RMS(Cart)= 0.00000997 RMS(Int)= 0.00004847 Iteration 6 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004847 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88143 0.00001 0.00000 -0.00087 -0.00087 2.88056 R2 2.65061 -0.00013 0.00000 -0.00539 -0.00539 2.64522 R3 2.73096 0.00041 0.00000 0.01352 0.01352 2.74447 R4 2.03516 -0.00011 0.00000 -0.00290 -0.00290 2.03226 R5 2.05679 -0.00003 0.00000 -0.00104 -0.00104 2.05575 R6 2.04811 -0.00005 0.00000 -0.00161 -0.00161 2.04649 R7 2.04750 -0.00000 0.00000 0.00313 0.00313 2.05062 R8 1.78786 -0.00045 0.00000 -0.00372 -0.00372 1.78415 R9 2.26609 -0.00080 0.00000 0.00010 0.00010 2.26619 R10 2.63874 0.00032 0.00000 -0.00064 -0.00065 2.63809 R11 2.76525 0.00023 0.00000 -0.00016 -0.00016 2.76509 R12 2.58431 -0.00006 0.00000 0.00145 0.00144 2.58576 R13 1.88325 -0.00007 0.00000 -0.00029 -0.00029 1.88296 R14 2.28494 0.00045 0.00000 0.00167 0.00167 2.28660 R15 2.56956 -0.00035 0.00000 -0.00468 -0.00467 2.56489 R16 2.64750 0.00031 0.00000 -0.00217 -0.00216 2.64534 R17 2.50768 0.00008 0.00000 0.00027 0.00027 2.50795 R18 2.01790 -0.00015 0.00000 -0.00088 -0.00088 2.01703 R19 2.68220 -0.00148 0.00000 0.00637 0.00637 2.68857 R20 2.74799 -0.00067 0.00000 0.00280 0.00280 2.75079 R21 2.52741 -0.00094 0.00000 -0.00289 -0.00289 2.52452 R22 1.78905 -0.00089 0.00000 -0.00418 -0.00418 1.78487 A1 1.94768 -0.00025 0.00000 0.00362 0.00360 1.95128 A2 1.95047 0.00001 0.00000 -0.00827 -0.00833 1.94214 A3 1.91464 0.00011 0.00000 0.00077 0.00075 1.91539 A4 1.88014 0.00039 0.00000 0.02111 0.02113 1.90127 A5 1.91707 -0.00017 0.00000 -0.01812 -0.01812 1.89895 A6 1.85109 -0.00009 0.00000 0.00056 0.00061 1.85170 A7 1.92211 -0.00002 0.00000 0.00166 0.00166 1.92377 A8 1.91958 0.00004 0.00000 -0.00129 -0.00130 1.91829 A9 1.94479 -0.00004 0.00000 -0.00354 -0.00355 1.94125 A10 1.88289 0.00005 0.00000 0.00318 0.00318 1.88607 A11 1.89692 -0.00000 0.00000 0.00622 0.00623 1.90315 A12 1.89620 -0.00003 0.00000 -0.00605 -0.00607 1.89013 A13 1.91817 0.00008 0.00000 0.01926 0.01926 1.93743 A14 2.06795 0.00006 0.00000 0.00055 0.00057 2.06853 A15 2.24073 0.00017 0.00000 -0.00121 -0.00119 2.23954 A16 1.97447 -0.00022 0.00000 0.00065 0.00061 1.97508 A17 2.25285 0.00011 0.00000 -0.00128 -0.00134 2.25152 A18 2.02136 -0.00016 0.00000 -0.00131 -0.00130 2.02006 A19 2.00572 0.00005 0.00000 0.00196 0.00198 2.00769 A20 2.11503 -0.00005 0.00000 -0.00017 -0.00016 2.11487 A21 1.99116 0.00011 0.00000 0.00069 0.00067 1.99183 A22 2.17679 -0.00006 0.00000 -0.00047 -0.00046 2.17633 A23 2.08373 -0.00003 0.00000 0.00328 0.00303 2.08677 A24 2.08483 0.00006 0.00000 -0.00504 -0.00527 2.07956 A25 2.11442 -0.00003 0.00000 0.00100 0.00075 2.11518 A26 2.16606 -0.00001 0.00000 0.00109 0.00108 2.16714 A27 2.06060 -0.00000 0.00000 -0.00142 -0.00142 2.05918 A28 2.05652 0.00001 0.00000 0.00032 0.00032 2.05684 A29 2.06364 0.00004 0.00000 -0.00118 -0.00120 2.06245 A30 2.09060 0.00008 0.00000 0.00224 0.00225 2.09286 A31 2.12486 -0.00012 0.00000 -0.00104 -0.00103 2.12383 A32 1.80804 -0.00045 0.00000 -0.00360 -0.00361 1.80443 A33 1.93076 0.00022 0.00000 -0.00089 -0.00090 1.92987 A34 1.91095 0.00029 0.00000 0.00043 0.00042 1.91137 A35 1.78597 -0.00015 0.00000 0.00047 0.00047 1.78644 D1 1.05471 -0.00022 0.00000 -0.01137 -0.01136 1.04335 D2 3.12761 -0.00015 0.00000 -0.00722 -0.00722 3.12038 D3 -1.05173 -0.00018 0.00000 -0.01800 -0.01799 -1.06973 D4 -3.12196 0.00012 0.00000 0.01248 0.01246 -3.10950 D5 -1.04906 0.00020 0.00000 0.01662 0.01660 -1.03246 D6 1.05478 0.00016 0.00000 0.00584 0.00583 1.06061 D7 -1.07401 0.00008 0.00000 0.00862 0.00863 -1.06538 D8 0.99888 0.00016 0.00000 0.01277 0.01277 1.01166 D9 3.10273 0.00012 0.00000 0.00199 0.00201 3.10473 D10 -0.45769 0.00045 0.00000 0.57369 0.57373 0.11604 D11 -2.60483 0.00033 0.00000 0.56737 0.56724 -2.03759 D12 1.66963 0.00031 0.00000 0.56459 0.56467 2.23429 D13 2.00906 0.00004 0.00000 -0.09805 -0.09804 1.91102 D14 -1.11115 -0.00001 0.00000 -0.05780 -0.05781 -1.16896 D15 -2.12870 0.00001 0.00000 -0.08440 -0.08440 -2.21310 D16 1.03427 -0.00004 0.00000 -0.04414 -0.04417 0.99010 D17 -0.07677 -0.00005 0.00000 -0.09474 -0.09471 -0.17148 D18 3.08620 -0.00009 0.00000 -0.05448 -0.05449 3.03172 D19 3.03766 0.00001 0.00000 0.00151 0.00151 3.03917 D20 -0.01205 -0.00002 0.00000 0.01026 0.01027 -0.00178 D21 -0.09579 0.00003 0.00000 0.00155 0.00155 -0.09425 D22 3.13768 -0.00000 0.00000 0.01030 0.01030 -3.13520 D23 -3.07522 0.00004 0.00000 -0.00799 -0.00799 -3.08321 D24 -0.02881 0.00008 0.00000 -0.00783 -0.00782 -0.03663 D25 0.05725 0.00002 0.00000 -0.00802 -0.00802 0.04923 D26 3.10365 0.00006 0.00000 -0.00786 -0.00785 3.09581 D27 -3.06386 -0.00001 0.00000 0.01479 0.01482 -3.04905 D28 0.05688 -0.00003 0.00000 0.01769 0.01771 0.07459 D29 -0.01348 0.00001 0.00000 0.00596 0.00597 -0.00750 D30 3.10727 -0.00001 0.00000 0.00887 0.00886 3.11613 D31 -3.09877 -0.00006 0.00000 0.01049 0.01059 -3.08818 D32 0.02107 -0.00001 0.00000 -0.03054 -0.03056 -0.00949 D33 0.02112 -0.00008 0.00000 0.01352 0.01360 0.03472 D34 3.14096 -0.00003 0.00000 -0.02751 -0.02755 3.11341 D35 3.06781 0.00011 0.00000 -0.01437 -0.01430 3.05351 D36 -0.07970 0.00008 0.00000 -0.01705 -0.01698 -0.09668 D37 -0.05201 0.00006 0.00000 0.02658 0.02658 -0.02543 D38 3.08366 0.00003 0.00000 0.02391 0.02390 3.10756 D39 0.00806 -0.00007 0.00000 -0.00521 -0.00519 0.00287 D40 -3.03638 -0.00013 0.00000 -0.00556 -0.00555 -3.04193 D41 -3.12763 -0.00004 0.00000 -0.00254 -0.00250 -3.13013 D42 0.11112 -0.00009 0.00000 -0.00289 -0.00287 0.10825 D43 1.08563 -0.00002 0.00000 0.01230 0.01229 1.09793 D44 3.13189 0.00017 0.00000 0.01041 0.01040 -3.14089 D45 -2.15458 0.00003 0.00000 0.01247 0.01247 -2.14211 D46 -0.10832 0.00023 0.00000 0.01058 0.01058 -0.09774 D47 -1.89333 0.00000 0.00000 0.03004 0.03004 -1.86329 D48 2.32978 -0.00015 0.00000 0.03279 0.03279 2.36257 Item Value Threshold Converged? Maximum Force 0.001480 0.000450 NO RMS Force 0.000270 0.000300 YES Maximum Displacement 0.854882 0.001800 NO RMS Displacement 0.101728 0.001200 NO Predicted change in Energy=-1.318913D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.991526 -4.939829 1.955392 2 6 0 7.091521 -5.033174 3.473567 3 8 0 6.871167 -6.202706 1.363726 4 8 0 2.763561 -1.719691 0.764829 5 6 0 3.617220 -2.528677 0.999192 6 7 0 4.944318 -2.197047 0.720456 7 6 0 6.084461 -2.900541 0.998809 8 8 0 7.178443 -2.433920 0.776074 9 7 0 5.862697 -4.120430 1.550986 10 6 0 4.563721 -4.574778 1.807544 11 6 0 3.466135 -3.867728 1.569398 12 1 0 7.867573 -4.455168 1.562728 13 1 0 7.960298 -5.623039 3.757665 14 1 0 7.204776 -4.043000 3.897271 15 1 0 5.092014 -1.289906 0.335576 16 1 0 4.447066 -5.555000 2.213528 17 7 0 2.179046 -4.331469 1.959917 18 1 0 6.201732 -5.485943 3.898787 19 1 0 6.772212 -6.875332 2.018832 20 8 0 1.434723 -4.352864 0.709132 21 8 0 2.256433 -5.570097 2.454376 22 1 0 0.858355 -3.610661 0.804217 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524325 0.000000 3 O 1.399790 2.422352 0.000000 4 O 5.446322 6.086680 6.109708 0.000000 5 C 4.256045 4.946292 4.921336 1.199215 0.000000 6 N 3.638541 4.498191 4.491308 2.232832 1.396016 7 C 2.428274 3.418585 3.414142 3.532355 2.495107 8 O 2.775844 3.747019 3.826682 4.472296 3.569463 9 N 1.452313 2.457525 2.321196 3.998279 2.807191 10 C 2.459544 3.061949 2.858571 3.532613 2.394959 11 C 3.704966 4.257646 4.133844 2.398959 1.463222 12 H 1.075425 2.141881 2.021463 5.845547 4.700473 13 H 2.157193 1.087854 2.693170 7.155367 6.003881 14 H 2.149574 1.082957 3.345814 5.910529 4.854132 15 H 4.421978 5.277980 5.325231 2.406381 2.037144 16 H 2.630465 2.975423 2.649142 4.431988 3.364802 17 N 4.850782 5.188057 5.086549 2.931088 2.498279 18 H 2.167671 1.085143 2.718166 5.985597 4.881883 19 H 1.948921 2.368915 0.944130 6.649995 5.466905 20 O 5.725011 6.332794 5.779735 2.950002 2.859211 21 O 4.802846 4.970424 4.783878 4.235254 3.635869 22 H 6.380257 6.928299 6.571580 2.684610 2.969856 6 7 8 9 10 6 N 0.000000 7 C 1.368324 0.000000 8 O 2.247335 1.210018 0.000000 9 N 2.287488 1.357279 2.275081 0.000000 10 C 2.642011 2.402035 3.533267 1.399854 0.000000 11 C 2.386819 2.848973 4.057881 2.409918 1.327151 12 H 3.788661 2.431946 2.275779 2.032662 3.315068 13 H 5.482536 4.306048 4.435275 3.395173 4.054449 14 H 4.313857 3.310800 3.511652 2.704113 3.409533 15 H 0.996420 2.004738 2.419916 3.175381 3.638155 16 H 3.708420 3.347052 4.389514 2.121548 1.067364 17 N 3.706582 4.268905 5.476874 3.712283 2.401894 18 H 4.743387 3.886892 4.474388 2.737105 2.808309 19 H 5.187805 4.160818 4.629860 2.938636 3.196032 20 O 4.118851 4.879879 6.056166 4.513280 3.323610 21 O 4.648513 4.888661 6.072766 3.990337 2.594732 22 H 4.324398 5.277719 6.428765 5.085368 3.958021 11 12 13 14 15 11 C 0.000000 12 H 4.440471 0.000000 13 H 5.297842 2.488025 0.000000 14 H 4.407624 2.461559 1.756937 0.000000 15 H 3.288003 4.385033 6.222041 4.972822 0.000000 16 H 2.055241 3.651443 3.838201 3.567366 4.704646 17 N 1.422730 5.703718 6.190552 5.393934 4.513865 18 H 3.940580 3.048720 1.769538 1.757323 5.615575 19 H 4.491972 2.695373 2.450169 3.426040 6.070700 20 O 2.258772 6.490042 7.313688 6.599527 4.785085 21 O 2.268177 5.789905 5.851107 5.375879 5.554267 22 H 2.729854 7.100540 7.950479 7.073257 4.850712 16 17 18 19 20 16 H 0.000000 17 N 2.589452 0.000000 18 H 2.433870 4.612379 0.000000 19 H 2.680949 5.250894 2.406258 0.000000 20 O 3.575269 1.455657 5.846550 6.047060 0.000000 21 O 2.203885 1.335919 4.202237 4.720762 2.280951 22 H 4.318039 1.897216 6.453273 6.863459 0.944514 21 22 21 O 0.000000 22 H 2.918396 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.479918 -0.502493 -0.142708 2 6 0 2.808320 -1.161020 1.192231 3 8 0 2.515822 -1.421119 -1.198289 4 8 0 -2.400470 1.868039 0.331429 5 6 0 -1.386224 1.250396 0.164280 6 7 0 -0.197272 1.958502 -0.019676 7 6 0 1.081958 1.482854 -0.117855 8 8 0 2.026906 2.235842 -0.182859 9 7 0 1.172262 0.128597 -0.111469 10 6 0 0.030483 -0.673601 -0.000067 11 6 0 -1.202378 -0.200913 0.133909 12 1 0 3.185691 0.283754 -0.343306 13 1 0 3.803281 -1.599735 1.160463 14 1 0 2.792872 -0.420606 1.982385 15 1 0 -0.277537 2.951492 -0.000165 16 1 0 0.157566 -1.732880 -0.032361 17 7 0 -2.311986 -1.061548 0.362465 18 1 0 2.087806 -1.934842 1.436349 19 1 0 2.637651 -2.300684 -0.877503 20 8 0 -3.207707 -0.757665 -0.744005 21 8 0 -1.935464 -2.341436 0.293205 22 1 0 -3.893497 -0.265983 -0.319685 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0277433 0.5466274 0.3920969 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.4381961632 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.78D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999957 0.008859 -0.001633 0.002244 Ang= 1.06 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.412928208 A.U. after 14 cycles NFock= 14 Conv=0.67D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.003539341 -0.001687805 0.000337847 2 6 0.001729925 -0.000183282 -0.000209371 3 8 0.006697797 0.001737356 -0.001596132 4 8 0.000204114 -0.000433330 0.000224506 5 6 -0.000826375 0.000618935 -0.000574149 6 7 0.000218316 -0.000210983 0.000170708 7 6 -0.000126039 0.000271641 -0.000207096 8 8 -0.000051491 -0.000429277 0.000101678 9 7 -0.000344599 0.000908764 0.001596710 10 6 0.000290355 0.001051070 -0.000860166 11 6 -0.002277239 -0.001812903 0.001492541 12 1 -0.000351395 -0.000960655 -0.001401954 13 1 -0.000744271 -0.000276366 -0.000455409 14 1 -0.000258858 0.000374545 0.000222491 15 1 0.000101612 0.000089551 -0.000033959 16 1 -0.000722574 -0.000057193 0.000322854 17 7 0.002497178 0.001073311 -0.001842594 18 1 0.000232216 0.000045517 0.000206570 19 1 -0.003268578 -0.000087813 0.001799191 20 8 0.001696655 -0.001426348 0.000404500 21 8 0.000079372 0.000010124 -0.000165760 22 1 -0.001236778 0.001385141 0.000466991 ------------------------------------------------------------------- Cartesian Forces: Max 0.006697797 RMS 0.001379386 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003398708 RMS 0.000709120 Search for a local minimum. Step number 24 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 23 24 DE= -1.87D-03 DEPred=-1.32D-03 R= 1.41D+00 TightC=F SS= 1.41D+00 RLast= 1.01D+00 DXNew= 1.6780D+00 3.0212D+00 Trust test= 1.41D+00 RLast= 1.01D+00 DXMaxT set to 1.68D+00 ITU= 1 1 -1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 -1 1 1 ITU= 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00262 0.00164 0.00211 0.00428 0.00808 Eigenvalues --- 0.01472 0.01605 0.01901 0.01978 0.02101 Eigenvalues --- 0.02218 0.02565 0.03305 0.05291 0.05455 Eigenvalues --- 0.05581 0.05765 0.05924 0.08124 0.10086 Eigenvalues --- 0.14796 0.15815 0.15880 0.15992 0.16063 Eigenvalues --- 0.16400 0.17416 0.17953 0.19825 0.21954 Eigenvalues --- 0.23503 0.24189 0.24650 0.25120 0.25619 Eigenvalues --- 0.25879 0.29957 0.30457 0.32665 0.33887 Eigenvalues --- 0.34768 0.34851 0.34875 0.34990 0.35159 Eigenvalues --- 0.37431 0.39880 0.40711 0.42284 0.42949 Eigenvalues --- 0.44666 0.45650 0.47535 0.48699 0.50084 Eigenvalues --- 0.58315 0.66201 0.72652 0.89647 0.96886 RFO step: Lambda=-4.93569337D-03 EMin=-2.61991583D-03 Skip linear search -- no minimum in search direction. Iteration 1 RMS(Cart)= 0.02920431 RMS(Int)= 0.06353059 Iteration 2 RMS(Cart)= 0.03190421 RMS(Int)= 0.02987714 Iteration 3 RMS(Cart)= 0.02796794 RMS(Int)= 0.00245867 Iteration 4 RMS(Cart)= 0.00238950 RMS(Int)= 0.00013078 Iteration 5 RMS(Cart)= 0.00001166 RMS(Int)= 0.00013059 Iteration 6 RMS(Cart)= 0.00000000 RMS(Int)= 0.00013059 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88056 -0.00017 0.00000 -0.00251 -0.00251 2.87805 R2 2.64522 -0.00187 0.00000 -0.01434 -0.01434 2.63088 R3 2.74447 0.00067 0.00000 0.01504 0.01504 2.75951 R4 2.03226 -0.00021 0.00000 -0.00402 -0.00402 2.02824 R5 2.05575 -0.00056 0.00000 -0.00435 -0.00435 2.05140 R6 2.04649 0.00040 0.00000 0.00072 0.00072 2.04721 R7 2.05062 -0.00013 0.00000 0.00252 0.00252 2.05315 R8 1.78415 0.00165 0.00000 0.00217 0.00217 1.78632 R9 2.26619 -0.00048 0.00000 0.00012 0.00012 2.26631 R10 2.63809 0.00036 0.00000 -0.00131 -0.00131 2.63678 R11 2.76509 0.00012 0.00000 0.00020 0.00020 2.76529 R12 2.58576 0.00010 0.00000 0.00166 0.00166 2.58742 R13 1.88296 0.00011 0.00000 -0.00036 -0.00036 1.88260 R14 2.28660 -0.00023 0.00000 0.00118 0.00118 2.28778 R15 2.56489 -0.00015 0.00000 -0.00649 -0.00649 2.55840 R16 2.64534 -0.00030 0.00000 -0.00189 -0.00189 2.64346 R17 2.50795 -0.00088 0.00000 -0.00345 -0.00345 2.50450 R18 2.01703 0.00025 0.00000 -0.00064 -0.00064 2.01639 R19 2.68857 -0.00340 0.00000 -0.00495 -0.00495 2.68362 R20 2.75079 -0.00098 0.00000 -0.00127 -0.00127 2.74952 R21 2.52452 -0.00007 0.00000 0.00126 0.00126 2.52578 R22 1.78487 0.00189 0.00000 0.00338 0.00338 1.78826 A1 1.95128 -0.00059 0.00000 0.00194 0.00134 1.95262 A2 1.94214 -0.00033 0.00000 -0.00282 -0.00325 1.93889 A3 1.91539 0.00047 0.00000 0.00150 0.00127 1.91665 A4 1.90127 0.00174 0.00000 0.04886 0.04883 1.95009 A5 1.89895 -0.00115 0.00000 -0.05196 -0.05193 1.84702 A6 1.85170 -0.00013 0.00000 0.00132 0.00174 1.85343 A7 1.92377 -0.00052 0.00000 -0.00593 -0.00595 1.91783 A8 1.91829 0.00017 0.00000 0.00486 0.00487 1.92315 A9 1.94125 0.00037 0.00000 -0.00261 -0.00262 1.93863 A10 1.88607 0.00041 0.00000 0.01216 0.01216 1.89823 A11 1.90315 -0.00016 0.00000 -0.00050 -0.00052 1.90263 A12 1.89013 -0.00025 0.00000 -0.00759 -0.00759 1.88254 A13 1.93743 -0.00190 0.00000 -0.00833 -0.00833 1.92910 A14 2.06853 0.00046 0.00000 0.00431 0.00431 2.07284 A15 2.23954 -0.00001 0.00000 -0.00459 -0.00459 2.23496 A16 1.97508 -0.00045 0.00000 0.00024 0.00021 1.97530 A17 2.25152 -0.00004 0.00000 -0.00071 -0.00076 2.25076 A18 2.02006 0.00010 0.00000 0.00066 0.00064 2.02070 A19 2.00769 -0.00006 0.00000 0.00117 0.00116 2.00885 A20 2.11487 0.00034 0.00000 0.00239 0.00239 2.11726 A21 1.99183 0.00018 0.00000 0.00109 0.00107 1.99290 A22 2.17633 -0.00051 0.00000 -0.00358 -0.00358 2.17275 A23 2.08677 -0.00033 0.00000 0.00004 0.00004 2.08681 A24 2.07956 0.00068 0.00000 0.00075 0.00076 2.08031 A25 2.11518 -0.00034 0.00000 -0.00063 -0.00064 2.11453 A26 2.16714 0.00042 0.00000 0.00290 0.00288 2.17002 A27 2.05918 0.00051 0.00000 0.00560 0.00560 2.06478 A28 2.05684 -0.00093 0.00000 -0.00847 -0.00846 2.04837 A29 2.06245 0.00024 0.00000 -0.00169 -0.00171 2.06074 A30 2.09286 0.00022 0.00000 0.00173 0.00174 2.09460 A31 2.12383 -0.00046 0.00000 -0.00005 -0.00004 2.12379 A32 1.80443 0.00033 0.00000 0.00518 0.00518 1.80962 A33 1.92987 -0.00035 0.00000 -0.00087 -0.00087 1.92900 A34 1.91137 -0.00003 0.00000 -0.00303 -0.00303 1.90834 A35 1.78644 -0.00035 0.00000 -0.00376 -0.00376 1.78268 D1 1.04335 -0.00130 0.00000 -0.05772 -0.05766 0.98569 D2 3.12038 -0.00102 0.00000 -0.04338 -0.04333 3.07706 D3 -1.06973 -0.00098 0.00000 -0.05135 -0.05131 -1.12103 D4 -3.10950 0.00029 0.00000 0.00467 0.00460 -3.10489 D5 -1.03246 0.00057 0.00000 0.01901 0.01894 -1.01353 D6 1.06061 0.00060 0.00000 0.01104 0.01096 1.07157 D7 -1.06538 0.00022 0.00000 0.00553 0.00556 -1.05981 D8 1.01166 0.00050 0.00000 0.01987 0.01990 1.03155 D9 3.10473 0.00053 0.00000 0.01189 0.01192 3.11665 D10 0.11604 0.00209 0.00000 0.59377 0.59375 0.70979 D11 -2.03759 0.00168 0.00000 0.56159 0.56094 -1.47664 D12 2.23429 0.00152 0.00000 0.56178 0.56244 2.79673 D13 1.91102 0.00006 0.00000 -0.03518 -0.03538 1.87564 D14 -1.16896 -0.00010 0.00000 -0.03804 -0.03824 -1.20720 D15 -2.21310 0.00030 0.00000 -0.00056 -0.00043 -2.21353 D16 0.99010 0.00014 0.00000 -0.00342 -0.00329 0.98681 D17 -0.17148 -0.00024 0.00000 -0.03624 -0.03617 -0.20765 D18 3.03172 -0.00040 0.00000 -0.03910 -0.03904 2.99268 D19 3.03917 0.00003 0.00000 0.01188 0.01186 3.05103 D20 -0.00178 -0.00003 0.00000 -0.00260 -0.00261 -0.00439 D21 -0.09425 0.00006 0.00000 0.01695 0.01695 -0.07729 D22 -3.13520 0.00000 0.00000 0.00247 0.00248 -3.13272 D23 -3.08321 0.00003 0.00000 -0.00310 -0.00312 -3.08633 D24 -0.03663 0.00008 0.00000 -0.00320 -0.00321 -0.03984 D25 0.04923 0.00000 0.00000 -0.00873 -0.00874 0.04049 D26 3.09581 0.00006 0.00000 -0.00882 -0.00882 3.08698 D27 -3.04905 -0.00011 0.00000 -0.00398 -0.00397 -3.05301 D28 0.07459 -0.00007 0.00000 -0.00996 -0.00997 0.06462 D29 -0.00750 -0.00004 0.00000 0.01039 0.01040 0.00290 D30 3.11613 -0.00000 0.00000 0.00441 0.00440 3.12053 D31 -3.08818 -0.00015 0.00000 -0.00822 -0.00821 -3.09639 D32 -0.00949 0.00005 0.00000 -0.00525 -0.00523 -0.01472 D33 0.03472 -0.00009 0.00000 -0.01437 -0.01436 0.02036 D34 3.11341 0.00010 0.00000 -0.01140 -0.01138 3.10203 D35 3.05351 0.00014 0.00000 0.01520 0.01521 3.06873 D36 -0.09668 0.00019 0.00000 0.01848 0.01849 -0.07819 D37 -0.02543 -0.00002 0.00000 0.01227 0.01228 -0.01316 D38 3.10756 0.00002 0.00000 0.01554 0.01555 3.12311 D39 0.00287 -0.00002 0.00000 -0.00433 -0.00433 -0.00146 D40 -3.04193 -0.00011 0.00000 -0.00433 -0.00434 -3.04627 D41 -3.13013 -0.00007 0.00000 -0.00766 -0.00764 -3.13777 D42 0.10825 -0.00016 0.00000 -0.00766 -0.00765 0.10060 D43 1.09793 -0.00020 0.00000 -0.00095 -0.00096 1.09697 D44 -3.14089 -0.00021 0.00000 -0.00206 -0.00206 3.14024 D45 -2.14211 -0.00010 0.00000 -0.00114 -0.00114 -2.14325 D46 -0.09774 -0.00012 0.00000 -0.00224 -0.00224 -0.09998 D47 -1.86329 -0.00033 0.00000 -0.01487 -0.01487 -1.87816 D48 2.36257 -0.00008 0.00000 -0.01521 -0.01521 2.34735 Item Value Threshold Converged? Maximum Force 0.003399 0.000450 NO RMS Force 0.000709 0.000300 NO Maximum Displacement 0.697648 0.001800 NO RMS Displacement 0.078665 0.001200 NO Predicted change in Energy=-4.747409D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.006453 -4.948008 1.962444 2 6 0 7.132784 -5.009271 3.478956 3 8 0 6.944575 -6.217961 1.395325 4 8 0 2.762852 -1.740477 0.753574 5 6 0 3.622791 -2.540373 0.996358 6 7 0 4.950629 -2.197787 0.738667 7 6 0 6.091376 -2.900389 1.021098 8 8 0 7.187522 -2.429220 0.815870 9 7 0 5.870940 -4.121437 1.562716 10 6 0 4.572739 -4.578548 1.812758 11 6 0 3.473819 -3.879916 1.566235 12 1 0 7.877909 -4.482374 1.543252 13 1 0 8.003186 -5.597030 3.753490 14 1 0 7.243940 -4.011273 3.885482 15 1 0 5.097432 -1.289401 0.356891 16 1 0 4.450863 -5.555195 2.224893 17 7 0 2.189319 -4.351190 1.946595 18 1 0 6.249024 -5.455056 3.926927 19 1 0 6.403032 -6.788878 1.919097 20 8 0 1.448389 -4.379249 0.694710 21 8 0 2.272068 -5.590670 2.439852 22 1 0 0.857359 -3.647299 0.796810 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522997 0.000000 3 O 1.392204 2.416169 0.000000 4 O 5.455069 6.099920 6.160075 0.000000 5 C 4.263707 4.957701 4.971728 1.199280 0.000000 6 N 3.645238 4.491707 4.535286 2.235111 1.395322 7 C 2.432333 3.401909 3.445908 3.534974 2.494822 8 O 2.773394 3.708327 3.840488 4.478387 3.571027 9 N 1.460271 2.460178 2.361382 3.997986 2.806189 10 C 2.466145 3.084732 2.913337 3.528769 2.392293 11 C 3.711779 4.280417 4.188295 2.396475 1.463328 12 H 1.073300 2.140043 1.976171 5.857081 4.709192 13 H 2.150012 1.085555 2.658412 7.164747 6.011056 14 H 2.152196 1.083337 3.340654 5.919925 4.860381 15 H 4.428044 5.265680 5.364792 2.410621 2.036766 16 H 2.639809 3.010549 2.710358 4.423374 3.359189 17 N 4.853990 5.217187 5.138209 2.927125 2.497369 18 H 2.165638 1.086478 2.734012 6.001805 4.897011 19 H 1.937730 2.476429 0.945279 6.332118 5.160521 20 O 5.729111 6.360920 5.837789 2.948626 2.863648 21 O 4.801597 5.004430 4.828753 4.231830 3.634891 22 H 6.392332 6.959155 6.634812 2.696061 2.985418 6 7 8 9 10 6 N 0.000000 7 C 1.369204 0.000000 8 O 2.250158 1.210642 0.000000 9 N 2.286145 1.353846 2.270410 0.000000 10 C 2.639034 2.397750 3.528525 1.398856 0.000000 11 C 2.386503 2.847500 4.056988 2.409260 1.325325 12 H 3.799430 2.442749 2.284986 2.039259 3.317534 13 H 5.473766 4.288690 4.396583 3.394604 4.070837 14 H 4.295399 3.281335 3.453779 2.700464 3.428309 15 H 0.996228 2.006086 2.424526 3.173761 3.635017 16 H 3.705512 3.344907 4.387068 2.123855 1.067027 17 N 3.704196 4.264671 5.473074 3.708704 2.397977 18 H 4.739265 3.872341 4.440173 2.740617 2.836884 19 H 4.957924 4.002984 4.564992 2.743241 2.871731 20 O 4.126305 4.883737 6.062585 4.514295 3.324351 21 O 4.645468 4.882375 6.065787 3.984959 2.590506 22 H 4.342733 5.291797 6.446320 5.093861 3.962755 11 12 13 14 15 11 C 0.000000 12 H 4.445165 0.000000 13 H 5.314860 2.478569 0.000000 14 H 4.428315 2.471820 1.763095 0.000000 15 H 3.287766 4.396998 6.207734 4.946417 0.000000 16 H 2.048171 3.655163 3.867474 3.597572 4.701541 17 N 1.420110 5.704380 6.214341 5.424391 4.512077 18 H 3.969345 3.046520 1.768424 1.753877 5.605712 19 H 4.143291 2.763418 2.710349 3.505551 5.864242 20 O 2.260808 6.486091 7.335154 6.626073 4.793412 21 O 2.265853 5.784260 5.879745 5.413303 5.551786 22 H 2.737150 7.109336 7.975353 7.103576 4.871492 16 17 18 19 20 16 H 0.000000 17 N 2.577142 0.000000 18 H 2.477969 4.649886 0.000000 19 H 2.329474 4.868106 2.415405 0.000000 20 O 3.569196 1.454985 5.886483 5.643928 0.000000 21 O 2.189661 1.336585 4.248054 4.332639 2.278488 22 H 4.311933 1.895148 6.491200 6.471750 0.946305 21 22 21 O 0.000000 22 H 2.911645 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.479060 -0.516431 -0.155231 2 6 0 2.834146 -1.129529 1.192934 3 8 0 2.564696 -1.447140 -1.187064 4 8 0 -2.402649 1.872460 0.313689 5 6 0 -1.386742 1.255088 0.155387 6 7 0 -0.194250 1.958017 -0.020041 7 6 0 1.083101 1.475118 -0.119560 8 8 0 2.034714 2.221018 -0.180543 9 7 0 1.167386 0.123918 -0.112156 10 6 0 0.023218 -0.671895 0.007682 11 6 0 -1.207492 -0.197087 0.135729 12 1 0 3.181887 0.257053 -0.399628 13 1 0 3.826686 -1.567044 1.149633 14 1 0 2.821969 -0.369012 1.964351 15 1 0 -0.270588 2.951206 -0.005239 16 1 0 0.140518 -1.732326 -0.008900 17 7 0 -2.316777 -1.052909 0.367607 18 1 0 2.119976 -1.899134 1.472400 19 1 0 2.217008 -2.281535 -0.910568 20 8 0 -3.215080 -0.759429 -0.738695 21 8 0 -1.941288 -2.334137 0.304980 22 1 0 -3.906866 -0.276136 -0.310499 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0319233 0.5432295 0.3906831 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.1691035763 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.77D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999995 0.002956 -0.000465 0.000794 Ang= 0.35 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.416436827 A.U. after 14 cycles NFock= 14 Conv=0.58D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001238623 0.002409956 -0.000508287 2 6 -0.000822543 -0.000582904 0.000168063 3 8 0.002473402 0.000440879 -0.000134488 4 8 0.001199765 -0.000418419 0.000007518 5 6 -0.001776941 0.001246257 -0.000122930 6 7 0.000141319 -0.000356691 -0.000435910 7 6 0.002034110 0.002540247 -0.000175065 8 8 -0.001557320 -0.000286005 -0.000652909 9 7 0.000196516 -0.005460272 0.002088626 10 6 0.002189687 0.000802165 -0.000804609 11 6 -0.003068860 -0.000750040 0.000117074 12 1 -0.000440669 0.001532894 -0.000635950 13 1 -0.000441455 -0.000341318 -0.000033530 14 1 0.000229262 0.000349218 -0.000128315 15 1 0.000206668 0.000344091 -0.000019017 16 1 -0.001120099 -0.000816950 0.001009517 17 7 0.000959494 -0.000503992 -0.001623966 18 1 0.000741660 -0.000228084 0.000373532 19 1 -0.003989031 -0.000632396 0.000197120 20 8 0.001131833 0.001201798 0.001360114 21 8 0.000548216 -0.000189518 0.000246909 22 1 -0.000073637 -0.000300915 -0.000293500 ------------------------------------------------------------------- Cartesian Forces: Max 0.005460272 RMS 0.001337776 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002776452 RMS 0.000834508 Search for a local minimum. Step number 25 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 24 25 DE= -3.51D-03 DEPred=-4.75D-03 R= 7.39D-01 TightC=F SS= 1.41D+00 RLast= 1.00D+00 DXNew= 2.8221D+00 3.0107D+00 Trust test= 7.39D-01 RLast= 1.00D+00 DXMaxT set to 2.82D+00 ITU= 1 1 1 -1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 -1 1 ITU= 1 1 0 1 0 Eigenvalues --- 0.00071 0.00166 0.00214 0.00432 0.00810 Eigenvalues --- 0.01474 0.01607 0.01903 0.01977 0.02112 Eigenvalues --- 0.02220 0.02570 0.03370 0.05390 0.05619 Eigenvalues --- 0.05733 0.05875 0.06625 0.08123 0.10188 Eigenvalues --- 0.14867 0.15898 0.15994 0.16049 0.16207 Eigenvalues --- 0.16548 0.17532 0.18644 0.19893 0.23066 Eigenvalues --- 0.23617 0.24359 0.24668 0.25533 0.25722 Eigenvalues --- 0.26297 0.29970 0.30682 0.32711 0.34086 Eigenvalues --- 0.34787 0.34856 0.34949 0.35038 0.35224 Eigenvalues --- 0.37921 0.39905 0.41514 0.42533 0.42950 Eigenvalues --- 0.44961 0.45870 0.48037 0.48787 0.50402 Eigenvalues --- 0.58658 0.66211 0.73300 0.89704 0.97061 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 25 24 RFO step: Lambda=-2.44423999D-03. DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -2.00000 Iteration 1 RMS(Cart)= 0.04102760 RMS(Int)= 0.19807925 Iteration 2 RMS(Cart)= 0.03208306 RMS(Int)= 0.16435599 Iteration 3 RMS(Cart)= 0.03170433 RMS(Int)= 0.13056250 Iteration 4 RMS(Cart)= 0.03151027 RMS(Int)= 0.09677198 Iteration 5 RMS(Cart)= 0.03134138 RMS(Int)= 0.06299591 Iteration 6 RMS(Cart)= 0.03122855 RMS(Int)= 0.02928766 Iteration 7 RMS(Cart)= 0.02688549 RMS(Int)= 0.00244964 Iteration 8 RMS(Cart)= 0.00244154 RMS(Int)= 0.00044665 Iteration 9 RMS(Cart)= 0.00001285 RMS(Int)= 0.00044659 Iteration 10 RMS(Cart)= 0.00000000 RMS(Int)= 0.00044659 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87805 0.00039 -0.00502 0.00340 -0.00161 2.87643 R2 2.63088 0.00022 -0.02867 0.00207 -0.02660 2.60428 R3 2.75951 -0.00265 0.03008 -0.01314 0.01694 2.77645 R4 2.02824 0.00056 -0.00803 0.00303 -0.00500 2.02324 R5 2.05140 -0.00018 -0.00869 -0.00060 -0.00929 2.04211 R6 2.04721 0.00030 0.00144 0.00088 0.00232 2.04953 R7 2.05315 -0.00036 0.00504 -0.00153 0.00352 2.05666 R8 1.78632 0.00278 0.00434 0.00814 0.01248 1.79880 R9 2.26631 -0.00114 0.00025 -0.00078 -0.00054 2.26577 R10 2.63678 0.00046 -0.00262 0.00125 -0.00138 2.63540 R11 2.76529 0.00083 0.00040 0.00005 0.00040 2.76569 R12 2.58742 0.00017 0.00333 0.00039 0.00375 2.59117 R13 1.88260 0.00035 -0.00072 0.00098 0.00026 1.88285 R14 2.28778 -0.00141 0.00236 -0.00310 -0.00074 2.28704 R15 2.55840 0.00256 -0.01298 0.01044 -0.00248 2.55592 R16 2.64346 -0.00055 -0.00377 -0.00449 -0.00825 2.63521 R17 2.50450 0.00073 -0.00690 0.00503 -0.00190 2.50260 R18 2.01639 0.00127 -0.00127 0.00622 0.00495 2.02134 R19 2.68362 -0.00247 -0.00990 0.00806 -0.00184 2.68178 R20 2.74952 -0.00147 -0.00254 0.00135 -0.00119 2.74833 R21 2.52578 0.00030 0.00252 -0.00393 -0.00141 2.52437 R22 1.78826 -0.00022 0.00677 -0.00858 -0.00181 1.78644 A1 1.95262 0.00007 0.00268 -0.00526 -0.00436 1.94826 A2 1.93889 0.00127 -0.00650 -0.00380 -0.01159 1.92730 A3 1.91665 -0.00013 0.00253 0.01415 0.01584 1.93249 A4 1.95009 -0.00210 0.09765 -0.03708 0.06062 2.01071 A5 1.84702 0.00104 -0.10386 0.03471 -0.06890 1.77813 A6 1.85343 -0.00015 0.00347 0.00051 0.00547 1.85891 A7 1.91783 -0.00019 -0.01189 -0.00247 -0.01438 1.90344 A8 1.92315 -0.00038 0.00973 -0.00467 0.00508 1.92823 A9 1.93863 0.00094 -0.00524 0.01186 0.00658 1.94520 A10 1.89823 0.00023 0.02432 -0.00018 0.02416 1.92239 A11 1.90263 -0.00060 -0.00104 -0.00933 -0.01045 1.89218 A12 1.88254 -0.00000 -0.01518 0.00464 -0.01054 1.87200 A13 1.92910 -0.00057 -0.01666 0.00635 -0.01031 1.91879 A14 2.07284 -0.00043 0.00863 -0.00228 0.00637 2.07921 A15 2.23496 0.00083 -0.00917 0.00464 -0.00451 2.23045 A16 1.97530 -0.00040 0.00043 -0.00212 -0.00179 1.97351 A17 2.25076 0.00033 -0.00151 0.00311 0.00135 2.25211 A18 2.02070 -0.00001 0.00129 -0.00070 0.00034 2.02104 A19 2.00885 -0.00032 0.00231 -0.00173 0.00033 2.00918 A20 2.11726 -0.00075 0.00479 -0.00572 -0.00108 2.11618 A21 1.99290 0.00001 0.00214 -0.00065 0.00145 1.99435 A22 2.17275 0.00075 -0.00716 0.00722 -0.00010 2.17266 A23 2.08681 0.00033 0.00009 0.00327 0.00307 2.08988 A24 2.08031 0.00027 0.00151 0.00288 0.00411 2.08442 A25 2.11453 -0.00058 -0.00129 -0.00428 -0.00577 2.10876 A26 2.17002 0.00036 0.00576 0.00427 0.00999 2.18001 A27 2.06478 0.00084 0.01121 0.01288 0.02409 2.08887 A28 2.04837 -0.00119 -0.01693 -0.01715 -0.03407 2.01430 A29 2.06074 0.00028 -0.00341 -0.00060 -0.00411 2.05663 A30 2.09460 0.00101 0.00348 0.00722 0.01075 2.10535 A31 2.12379 -0.00129 -0.00008 -0.00626 -0.00630 2.11749 A32 1.80962 -0.00133 0.01036 -0.00562 0.00474 1.81436 A33 1.92900 -0.00054 -0.00173 -0.00903 -0.01076 1.91824 A34 1.90834 0.00101 -0.00605 0.00216 -0.00389 1.90445 A35 1.78268 0.00063 -0.00752 0.01664 0.00912 1.79180 D1 0.98569 0.00088 -0.11533 0.02990 -0.08521 0.90048 D2 3.07706 0.00080 -0.08666 0.02519 -0.06129 3.01577 D3 -1.12103 0.00115 -0.10262 0.03553 -0.06693 -1.18796 D4 -3.10489 -0.00087 0.00920 -0.02598 -0.01706 -3.12195 D5 -1.01353 -0.00094 0.03787 -0.03069 0.00686 -1.00666 D6 1.07157 -0.00059 0.02191 -0.02035 0.00123 1.07279 D7 -1.05981 -0.00037 0.01112 -0.01889 -0.00762 -1.06743 D8 1.03155 -0.00045 0.03980 -0.02361 0.01631 1.04786 D9 3.11665 -0.00009 0.02383 -0.01327 0.01067 3.12732 D10 0.70979 0.00149 1.18751 0.19857 1.38585 2.09564 D11 -1.47664 0.00138 1.12189 0.23637 1.35605 -0.12059 D12 2.79673 0.00201 1.12487 0.23441 1.36171 -2.12474 D13 1.87564 0.00058 -0.07076 0.08671 0.01540 1.89104 D14 -1.20720 0.00035 -0.07649 0.05088 -0.02631 -1.23351 D15 -2.21353 0.00005 -0.00086 0.04862 0.04821 -2.16532 D16 0.98681 -0.00019 -0.00659 0.01279 0.00650 0.99331 D17 -0.20765 0.00013 -0.07234 0.07145 -0.00056 -0.20821 D18 2.99268 -0.00010 -0.07807 0.03562 -0.04227 2.95042 D19 3.05103 0.00004 0.02372 0.01093 0.03459 3.08563 D20 -0.00439 0.00005 -0.00522 0.00072 -0.00451 -0.00890 D21 -0.07729 -0.00016 0.03391 -0.00695 0.02692 -0.05038 D22 -3.13272 -0.00015 0.00496 -0.01716 -0.01219 3.13828 D23 -3.08633 -0.00002 -0.00624 -0.00643 -0.01272 -3.09905 D24 -0.03984 0.00001 -0.00642 -0.00259 -0.00902 -0.04886 D25 0.04049 0.00018 -0.01747 0.01341 -0.00413 0.03636 D26 3.08698 0.00022 -0.01765 0.01725 -0.00043 3.08655 D27 -3.05301 -0.00037 -0.00793 -0.04050 -0.04833 -3.10134 D28 0.06462 0.00007 -0.01993 -0.00283 -0.02275 0.04187 D29 0.00290 -0.00037 0.02081 -0.03031 -0.00945 -0.00655 D30 3.12053 0.00007 0.00880 0.00736 0.01613 3.13666 D31 -3.09639 -0.00024 -0.01642 -0.03042 -0.04668 3.14012 D32 -0.01472 0.00002 -0.01047 0.00638 -0.00403 -0.01876 D33 0.02036 0.00018 -0.02871 0.00842 -0.02016 0.00020 D34 3.10203 0.00045 -0.02277 0.04522 0.02248 3.12451 D35 3.06873 0.00030 0.03043 0.03756 0.06798 3.13671 D36 -0.07819 0.00036 0.03698 0.03886 0.07591 -0.00228 D37 -0.01316 0.00004 0.02455 0.00088 0.02550 0.01235 D38 3.12311 0.00009 0.03110 0.00217 0.03343 -3.12665 D39 -0.00146 -0.00015 -0.00867 -0.01143 -0.02017 -0.02164 D40 -3.04627 -0.00031 -0.00868 -0.01611 -0.02489 -3.07116 D41 -3.13777 -0.00020 -0.01529 -0.01279 -0.02796 3.11746 D42 0.10060 -0.00037 -0.01530 -0.01747 -0.03267 0.06793 D43 1.09697 -0.00036 -0.00191 0.00120 -0.00073 1.09624 D44 3.14024 -0.00016 -0.00412 -0.00354 -0.00768 3.13256 D45 -2.14325 -0.00023 -0.00228 0.00553 0.00327 -2.13997 D46 -0.09998 -0.00003 -0.00448 0.00079 -0.00368 -0.10365 D47 -1.87816 -0.00053 -0.02975 0.00920 -0.02056 -1.89872 D48 2.34735 0.00034 -0.03042 0.02160 -0.00882 2.33853 Item Value Threshold Converged? Maximum Force 0.002776 0.000450 NO RMS Force 0.000835 0.000300 NO Maximum Displacement 1.626723 0.001800 NO RMS Displacement 0.194155 0.001200 NO Predicted change in Energy=-4.371413D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.005159 -4.976610 2.041080 2 6 0 7.153271 -4.992023 3.555922 3 8 0 6.993628 -6.251907 1.518856 4 8 0 2.775948 -1.793557 0.656090 5 6 0 3.635570 -2.569226 0.967506 6 7 0 4.968733 -2.237354 0.727875 7 6 0 6.103944 -2.935089 1.051318 8 8 0 7.203742 -2.491548 0.809608 9 7 0 5.872921 -4.128110 1.645182 10 6 0 4.571707 -4.556238 1.906250 11 6 0 3.475498 -3.878257 1.602139 12 1 0 7.875505 -4.557329 1.579559 13 1 0 8.002619 -5.605218 3.821219 14 1 0 7.287221 -3.984491 3.934363 15 1 0 5.124412 -1.354260 0.293538 16 1 0 4.410439 -5.496941 2.389171 17 7 0 2.189958 -4.346829 1.978676 18 1 0 6.268449 -5.403097 4.038197 19 1 0 6.175098 -6.406679 1.058273 20 8 0 1.470981 -4.449098 0.718611 21 8 0 2.290638 -5.561778 2.524774 22 1 0 0.853559 -3.735360 0.773795 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522143 0.000000 3 O 1.378127 2.400507 0.000000 4 O 5.471403 6.148184 6.197586 0.000000 5 C 4.278106 4.994404 5.014248 1.198996 0.000000 6 N 3.657193 4.512012 4.565357 2.238396 1.394592 7 C 2.441234 3.406627 3.465748 3.540460 2.496748 8 O 2.780557 3.714454 3.832426 4.485099 3.572509 9 N 1.469235 2.456943 2.404674 4.002460 2.809823 10 C 2.473172 3.094479 2.981790 3.524210 2.388684 11 C 3.722574 4.310889 4.244807 2.393815 1.463538 12 H 1.070654 2.148626 1.911279 5.873390 4.722734 13 H 2.135174 1.080640 2.595601 7.201729 6.035897 14 H 2.156010 1.084566 3.325966 5.991565 4.913225 15 H 4.439880 5.290817 5.383523 2.416549 2.036425 16 H 2.669173 3.023140 2.828477 4.403429 3.345605 17 N 4.856612 5.247710 5.188064 2.934589 2.504422 18 H 2.170969 1.088339 2.755620 6.055162 4.938828 19 H 1.923541 3.032544 0.951883 5.744290 4.602553 20 O 5.714396 6.374443 5.864311 2.959518 2.877727 21 O 4.775258 5.003307 4.858627 4.234028 3.631706 22 H 6.402258 7.000415 6.677467 2.734965 3.022743 6 7 8 9 10 6 N 0.000000 7 C 1.371187 0.000000 8 O 2.250902 1.210251 0.000000 9 N 2.287786 1.352533 2.268834 0.000000 10 C 2.631239 2.388887 3.520394 1.394492 0.000000 11 C 2.384669 2.846348 4.055967 2.410791 1.324317 12 H 3.815360 2.459497 2.304678 2.049117 3.319911 13 H 5.487782 4.290327 4.404878 3.384169 4.066771 14 H 4.325441 3.288364 3.464093 2.694666 3.437172 15 H 0.996364 2.008167 2.425565 3.175130 3.627531 16 H 3.700878 3.349760 4.396584 2.136836 1.069646 17 N 3.706208 4.262897 5.472369 3.704494 2.392034 18 H 4.761241 3.878088 4.446985 2.740174 2.853296 19 H 4.352901 3.472326 4.055638 2.372267 2.591151 20 O 4.138377 4.885414 6.058451 4.509839 3.322119 21 O 4.631720 4.859204 6.042077 3.957503 2.568454 22 H 4.379588 5.318270 6.470949 5.109556 3.972521 11 12 13 14 15 11 C 0.000000 12 H 4.452158 0.000000 13 H 5.329310 2.477755 0.000000 14 H 4.469876 2.493858 1.775205 0.000000 15 H 3.286626 4.413843 6.228905 4.985125 0.000000 16 H 2.028220 3.680357 3.868623 3.598750 4.697153 17 N 1.419138 5.703425 6.226198 5.471572 4.517320 18 H 4.007504 3.056608 1.759341 1.749606 5.632439 19 H 3.738523 2.565778 3.408232 3.921188 5.216867 20 O 2.263752 6.463039 7.322916 6.662250 4.806898 21 O 2.255968 5.752659 5.857421 5.425921 5.541831 22 H 2.753387 7.115660 7.993262 7.172397 4.913295 16 17 18 19 20 16 H 0.000000 17 N 2.534128 0.000000 18 H 2.486020 4.689501 0.000000 19 H 2.390174 4.579462 3.145765 0.000000 20 O 3.539656 1.454356 5.911469 5.106488 0.000000 21 O 2.125123 1.335837 4.258944 4.237159 2.274230 22 H 4.285325 1.900419 6.539014 5.961179 0.945344 21 22 21 O 0.000000 22 H 2.909799 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.475215 -0.541924 -0.157726 2 6 0 2.858120 -1.152827 1.182834 3 8 0 2.607287 -1.449946 -1.185971 4 8 0 -2.412115 1.879809 0.272937 5 6 0 -1.391386 1.261808 0.155554 6 7 0 -0.191505 1.955722 0.001748 7 6 0 1.085218 1.463743 -0.088184 8 8 0 2.038284 2.204000 -0.179790 9 7 0 1.163515 0.113652 -0.066532 10 6 0 0.014992 -0.666708 0.062072 11 6 0 -1.217329 -0.191340 0.158132 12 1 0 3.175268 0.216555 -0.442221 13 1 0 3.833043 -1.610889 1.096301 14 1 0 2.869789 -0.392969 1.956631 15 1 0 -0.263541 2.949424 -0.008596 16 1 0 0.099323 -1.732634 0.090935 17 7 0 -2.325486 -1.051850 0.371358 18 1 0 2.145787 -1.916000 1.490455 19 1 0 1.767186 -1.579768 -1.614292 20 8 0 -3.202759 -0.779947 -0.756300 21 8 0 -1.928384 -2.326240 0.319372 22 1 0 -3.920006 -0.314304 -0.353299 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0339778 0.5403600 0.3904742 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.2062911898 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.84D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999994 -0.003384 -0.000758 -0.000042 Ang= -0.40 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.411838170 A.U. after 16 cycles NFock= 16 Conv=0.34D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.014692398 0.026157034 0.003351727 2 6 -0.007392782 -0.003862508 0.000257636 3 8 -0.025721705 -0.019999108 -0.007604923 4 8 0.002483959 0.000648498 0.000232233 5 6 -0.004925965 -0.000187861 -0.000989544 6 7 0.000837619 -0.000431413 0.001069044 7 6 0.006018749 0.005725454 -0.007082397 8 8 -0.003978796 0.000368467 0.000603533 9 7 0.005758269 -0.016567053 -0.000105595 10 6 -0.004523437 -0.004165177 0.003316788 11 6 -0.001365063 0.002932609 -0.002617506 12 1 0.001580511 0.015928280 0.006677913 13 1 0.002654206 -0.000307341 0.002221158 14 1 0.002959299 -0.000116215 -0.001674395 15 1 0.000537884 0.000341025 0.000228628 16 1 0.002949943 -0.001990843 0.000924029 17 7 0.000357866 -0.000503352 -0.000821690 18 1 0.002033462 -0.000919165 -0.002423704 19 1 0.003740799 -0.003156661 0.002594202 20 8 0.003043402 0.000536526 0.000176441 21 8 -0.001444217 -0.001222584 0.000955821 22 1 -0.000296401 0.000791388 0.000710601 ------------------------------------------------------------------- Cartesian Forces: Max 0.026157034 RMS 0.006786651 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.023510663 RMS 0.004309165 Search for a local minimum. Step number 26 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 26 25 DE= 4.60D-03 DEPred=-4.37D-03 R=-1.05D+00 Trust test=-1.05D+00 RLast= 2.38D+00 DXMaxT set to 1.41D+00 ITU= -1 1 1 1 -1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 -1 ITU= 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00164 0.00187 0.00213 0.00432 0.00807 Eigenvalues --- 0.01469 0.01602 0.01899 0.01980 0.02113 Eigenvalues --- 0.02222 0.02559 0.03357 0.05291 0.05648 Eigenvalues --- 0.05718 0.05896 0.07323 0.08176 0.10204 Eigenvalues --- 0.15052 0.15915 0.15996 0.16049 0.16449 Eigenvalues --- 0.16618 0.17731 0.18929 0.20033 0.23354 Eigenvalues --- 0.24077 0.24584 0.24779 0.25615 0.25953 Eigenvalues --- 0.26852 0.30013 0.30664 0.32874 0.34063 Eigenvalues --- 0.34782 0.34857 0.34964 0.35151 0.35304 Eigenvalues --- 0.38086 0.40831 0.41565 0.42790 0.43004 Eigenvalues --- 0.45786 0.47162 0.48232 0.49298 0.51536 Eigenvalues --- 0.59000 0.66223 0.72847 0.89661 0.97018 RFO step: Lambda=-7.10156750D-04 EMin= 1.63946837D-03 Quartic linear search produced a step of -0.79997. Iteration 1 RMS(Cart)= 0.04372223 RMS(Int)= 0.12937496 Iteration 2 RMS(Cart)= 0.03095856 RMS(Int)= 0.09558833 Iteration 3 RMS(Cart)= 0.03111784 RMS(Int)= 0.06181675 Iteration 4 RMS(Cart)= 0.03134711 RMS(Int)= 0.02811306 Iteration 5 RMS(Cart)= 0.02611509 RMS(Int)= 0.00220246 Iteration 6 RMS(Cart)= 0.00217309 RMS(Int)= 0.00010759 Iteration 7 RMS(Cart)= 0.00000979 RMS(Int)= 0.00010742 Iteration 8 RMS(Cart)= 0.00000000 RMS(Int)= 0.00010742 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87643 -0.00153 0.00129 -0.00012 0.00118 2.87761 R2 2.60428 0.02351 0.02128 0.00613 0.02741 2.63169 R3 2.77645 -0.01121 -0.01355 -0.00639 -0.01994 2.75651 R4 2.02324 0.00464 0.00400 0.00239 0.00639 2.02964 R5 2.04211 0.00281 0.00743 -0.00028 0.00715 2.04926 R6 2.04953 -0.00033 -0.00186 0.00078 -0.00107 2.04846 R7 2.05666 -0.00238 -0.00281 -0.00176 -0.00457 2.05209 R8 1.79880 -0.00396 -0.00998 0.00224 -0.00774 1.79106 R9 2.26577 -0.00142 0.00043 -0.00067 -0.00024 2.26554 R10 2.63540 0.00100 0.00110 0.00032 0.00144 2.63683 R11 2.76569 0.00145 -0.00032 0.00122 0.00093 2.76662 R12 2.59117 -0.00135 -0.00300 -0.00009 -0.00310 2.58807 R13 1.88285 0.00029 -0.00021 0.00019 -0.00001 1.88284 R14 2.28704 -0.00360 0.00059 -0.00126 -0.00067 2.28637 R15 2.55592 0.00714 0.00199 0.00343 0.00538 2.56130 R16 2.63521 0.00375 0.00660 0.00090 0.00748 2.64269 R17 2.50260 0.00371 0.00152 0.00174 0.00328 2.50587 R18 2.02134 0.00172 -0.00396 0.00223 -0.00172 2.01961 R19 2.68178 -0.00110 0.00147 -0.00295 -0.00148 2.68030 R20 2.74833 -0.00222 0.00095 -0.00263 -0.00168 2.74666 R21 2.52437 0.00139 0.00113 -0.00126 -0.00013 2.52423 R22 1.78644 0.00083 0.00145 -0.00019 0.00126 1.78771 A1 1.94826 -0.00385 0.00349 -0.00962 -0.00652 1.94174 A2 1.92730 0.01229 0.00927 0.00281 0.01161 1.93891 A3 1.93249 -0.00576 -0.01267 0.00105 -0.01162 1.92088 A4 2.01071 -0.01389 -0.04849 -0.01459 -0.06320 1.94751 A5 1.77813 0.01364 0.05512 0.02474 0.08002 1.85814 A6 1.85891 -0.00277 -0.00438 -0.00206 -0.00615 1.85275 A7 1.90344 0.00248 0.01151 -0.00126 0.01025 1.91370 A8 1.92823 -0.00199 -0.00406 -0.00085 -0.00491 1.92332 A9 1.94520 -0.00165 -0.00526 0.00192 -0.00333 1.94188 A10 1.92239 -0.00138 -0.01933 0.00098 -0.01836 1.90404 A11 1.89218 -0.00031 0.00836 -0.00524 0.00313 1.89531 A12 1.87200 0.00282 0.00844 0.00444 0.01288 1.88488 A13 1.91879 0.00623 0.00824 -0.00002 0.00822 1.92701 A14 2.07921 -0.00265 -0.00509 -0.00052 -0.00562 2.07359 A15 2.23045 0.00200 0.00360 0.00142 0.00502 2.23547 A16 1.97351 0.00064 0.00143 -0.00088 0.00057 1.97407 A17 2.25211 0.00142 -0.00108 0.00182 0.00081 2.25291 A18 2.02104 -0.00025 -0.00027 -0.00012 -0.00028 2.02076 A19 2.00918 -0.00117 -0.00027 -0.00138 -0.00153 2.00765 A20 2.11618 -0.00134 0.00087 -0.00170 -0.00074 2.11544 A21 1.99435 -0.00126 -0.00116 -0.00040 -0.00161 1.99274 A22 2.17266 0.00260 0.00008 0.00209 0.00225 2.17491 A23 2.08988 0.00102 -0.00246 -0.00069 -0.00290 2.08698 A24 2.08442 -0.00198 -0.00328 0.00200 -0.00104 2.08337 A25 2.10876 0.00096 0.00462 -0.00094 0.00378 2.11254 A26 2.18001 -0.00293 -0.00799 0.00041 -0.00762 2.17239 A27 2.08887 -0.00182 -0.01927 0.00357 -0.01568 2.07320 A28 2.01430 0.00475 0.02725 -0.00399 0.02329 2.03760 A29 2.05663 0.00118 0.00329 0.00011 0.00341 2.06004 A30 2.10535 -0.00231 -0.00860 0.00111 -0.00749 2.09785 A31 2.11749 0.00114 0.00504 -0.00102 0.00401 2.12150 A32 1.81436 -0.00544 -0.00379 0.00155 -0.00225 1.81211 A33 1.91824 0.00356 0.00861 0.00056 0.00916 1.92740 A34 1.90445 0.00116 0.00311 0.00151 0.00461 1.90906 A35 1.79180 -0.00130 -0.00730 0.00424 -0.00306 1.78874 D1 0.90048 0.00808 0.06817 0.01396 0.08214 0.98262 D2 3.01577 0.00672 0.04903 0.01383 0.06289 3.07866 D3 -1.18796 0.00788 0.05354 0.02009 0.07365 -1.11431 D4 -3.12195 -0.00363 0.01365 -0.01117 0.00244 -3.11952 D5 -1.00666 -0.00500 -0.00549 -0.01129 -0.01682 -1.02348 D6 1.07279 -0.00383 -0.00098 -0.00504 -0.00606 1.06674 D7 -1.06743 -0.00296 0.00609 -0.01131 -0.00521 -1.07264 D8 1.04786 -0.00432 -0.01304 -0.01144 -0.02447 1.02339 D9 3.12732 -0.00316 -0.00853 -0.00519 -0.01371 3.11361 D10 2.09564 -0.00008 -1.10864 0.12152 -0.98682 1.10883 D11 -0.12059 -0.00200 -1.08480 0.13855 -0.94680 -1.06739 D12 -2.12474 -0.00086 -1.08933 0.13233 -0.95674 -3.08149 D13 1.89104 0.00183 -0.01232 0.03966 0.02719 1.91823 D14 -1.23351 0.00159 0.02104 0.01490 0.03589 -1.19762 D15 -2.16532 -0.00422 -0.03856 0.01668 -0.02183 -2.18716 D16 0.99331 -0.00446 -0.00520 -0.00807 -0.01313 0.98018 D17 -0.20821 0.00355 0.00045 0.03806 0.03846 -0.16975 D18 2.95042 0.00331 0.03381 0.01330 0.04717 2.99758 D19 3.08563 0.00004 -0.02767 0.00503 -0.02263 3.06299 D20 -0.00890 0.00001 0.00361 -0.00393 -0.00032 -0.00923 D21 -0.05038 0.00018 -0.02153 0.00286 -0.01866 -0.06904 D22 3.13828 0.00015 0.00975 -0.00611 0.00365 -3.14126 D23 -3.09905 0.00053 0.01018 0.00465 0.01484 -3.08421 D24 -0.04886 0.00065 0.00721 0.00699 0.01420 -0.03466 D25 0.03636 0.00036 0.00331 0.00704 0.01037 0.04673 D26 3.08655 0.00048 0.00034 0.00938 0.00973 3.09628 D27 -3.10134 0.00021 0.03866 -0.01637 0.02226 -3.07908 D28 0.04187 -0.00076 0.01820 -0.01231 0.00589 0.04776 D29 -0.00655 0.00026 0.00756 -0.00742 0.00012 -0.00643 D30 3.13666 -0.00071 -0.01290 -0.00336 -0.01625 3.12041 D31 3.14012 0.00053 0.03734 -0.01326 0.02403 -3.11904 D32 -0.01876 0.00074 0.00322 0.01188 0.01513 -0.00363 D33 0.00020 -0.00048 0.01613 -0.00905 0.00702 0.00722 D34 3.12451 -0.00026 -0.01799 0.01609 -0.00188 3.12263 D35 3.13671 0.00001 -0.05439 0.02221 -0.03216 3.10455 D36 -0.00228 -0.00009 -0.06073 0.02200 -0.03873 -0.04101 D37 0.01235 -0.00024 -0.02040 -0.00283 -0.02326 -0.01091 D38 -3.12665 -0.00033 -0.02674 -0.00304 -0.02982 3.12672 D39 -0.02164 -0.00035 0.01614 -0.00734 0.00882 -0.01281 D40 -3.07116 -0.00028 0.01991 -0.00982 0.01011 -3.06105 D41 3.11746 -0.00027 0.02236 -0.00713 0.01522 3.13267 D42 0.06793 -0.00020 0.02613 -0.00960 0.01650 0.08443 D43 1.09624 -0.00061 0.00058 -0.00630 -0.00571 1.09053 D44 3.13256 -0.00051 0.00614 -0.00347 0.00268 3.13524 D45 -2.13997 -0.00050 -0.00262 -0.00381 -0.00644 -2.14641 D46 -0.10365 -0.00040 0.00294 -0.00099 0.00195 -0.10170 D47 -1.89872 0.00089 0.01645 -0.03240 -0.01595 -1.91467 D48 2.33853 -0.00093 0.00706 -0.03453 -0.02748 2.31105 Item Value Threshold Converged? Maximum Force 0.023511 0.000450 NO RMS Force 0.004309 0.000300 NO Maximum Displacement 1.233954 0.001800 NO RMS Displacement 0.140588 0.001200 NO Predicted change in Energy=-1.358005D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.021009 -4.937591 1.987033 2 6 0 7.147349 -5.017065 3.502466 3 8 0 6.948937 -6.207156 1.419202 4 8 0 2.768955 -1.760816 0.715783 5 6 0 3.630802 -2.550128 0.983171 6 7 0 4.959254 -2.206813 0.729478 7 6 0 6.102050 -2.901412 1.024784 8 8 0 7.195189 -2.436810 0.794485 9 7 0 5.884431 -4.110317 1.597712 10 6 0 4.586463 -4.565260 1.850625 11 6 0 3.484475 -3.880380 1.576809 12 1 0 7.890846 -4.466141 1.569091 13 1 0 8.010928 -5.617990 3.765324 14 1 0 7.265759 -4.024056 3.920749 15 1 0 5.104902 -1.307954 0.325043 16 1 0 4.456053 -5.530183 2.291204 17 7 0 2.201758 -4.359234 1.947029 18 1 0 6.264638 -5.465792 3.948206 19 1 0 6.166892 -6.655946 1.711253 20 8 0 1.474624 -4.412395 0.689644 21 8 0 2.293168 -5.589770 2.458591 22 1 0 0.850516 -3.707791 0.784317 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522766 0.000000 3 O 1.392632 2.407420 0.000000 4 O 5.457832 6.126915 6.143044 0.000000 5 C 4.266289 4.979832 4.957217 1.198870 0.000000 6 N 3.645466 4.513838 4.520764 2.235287 1.395353 7 C 2.432372 3.421629 3.435219 3.536377 2.496437 8 O 2.776043 3.740744 3.829676 4.478248 3.571176 9 N 1.458685 2.458707 2.358341 4.000518 2.809039 10 C 2.466628 3.080721 2.909164 3.529321 2.393016 11 C 3.713899 4.291486 4.176269 2.397058 1.464032 12 H 1.074037 2.143418 1.985143 5.854970 4.707694 13 H 2.145974 1.084424 2.641823 7.187195 6.028073 14 H 2.152605 1.083997 3.335272 5.967856 4.900484 15 H 4.428085 5.293875 5.347881 2.411309 2.036934 16 H 2.650035 2.995583 2.726381 4.419997 3.357487 17 N 4.853996 5.225992 5.121439 2.930777 2.498811 18 H 2.167324 1.085918 2.722820 6.032843 4.922360 19 H 1.938637 2.618333 0.947787 6.041459 4.880533 20 O 5.720265 6.360613 5.807024 2.950737 2.864141 21 O 4.795852 4.998074 4.810165 4.233751 3.633946 22 H 6.405772 6.982309 6.621227 2.734194 3.018231 6 7 8 9 10 6 N 0.000000 7 C 1.369546 0.000000 8 O 2.248673 1.209895 0.000000 9 N 2.287599 1.355380 2.272419 0.000000 10 C 2.637843 2.397375 3.528623 1.398449 0.000000 11 C 2.386161 2.848650 4.057748 2.411036 1.326052 12 H 3.795226 2.438122 2.280819 2.037923 3.317835 13 H 5.492286 4.305134 4.428456 3.390223 4.062176 14 H 4.336652 3.316800 3.506830 2.704072 3.428840 15 H 0.996358 2.005754 2.421568 3.174995 3.634037 16 H 3.706343 3.350158 4.394541 2.130074 1.068734 17 N 3.703934 4.264746 5.473429 3.707569 2.395529 18 H 4.762896 3.892156 4.470639 2.739834 2.833209 19 H 4.713497 3.817324 4.438351 2.563767 2.624528 20 O 4.124175 4.879391 6.052999 4.512454 3.324874 21 O 4.641363 4.877567 6.061371 3.978325 2.584270 22 H 4.374662 5.318522 6.470732 5.115070 3.978639 11 12 13 14 15 11 C 0.000000 12 H 4.445141 0.000000 13 H 5.319555 2.482864 0.000000 14 H 4.451158 2.473149 1.766369 0.000000 15 H 3.287868 4.391273 6.233533 4.997561 0.000000 16 H 2.043568 3.667619 3.849400 3.580263 4.702553 17 N 1.418354 5.702630 6.215877 5.445367 4.513247 18 H 3.983260 3.050253 1.762425 1.755449 5.635594 19 H 3.862279 2.790604 2.949073 3.607801 5.625870 20 O 2.260443 6.476435 7.323697 6.642898 4.790554 21 O 2.262470 5.778214 5.865248 5.414428 5.549039 22 H 2.756007 7.124409 7.987914 7.147907 4.906114 16 17 18 19 20 16 H 0.000000 17 N 2.563479 0.000000 18 H 2.453728 4.662207 0.000000 19 H 2.128533 4.588329 2.535740 0.000000 20 O 3.564178 1.453467 5.888302 5.300432 0.000000 21 O 2.170171 1.335766 4.243454 4.086684 2.277147 22 H 4.311811 1.897928 6.512563 6.149364 0.946013 21 22 21 O 0.000000 22 H 2.902806 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.481183 -0.519015 -0.154328 2 6 0 2.845812 -1.165901 1.175108 3 8 0 2.546069 -1.438852 -1.197933 4 8 0 -2.399884 1.878762 0.308048 5 6 0 -1.383836 1.259427 0.161898 6 7 0 -0.188648 1.958949 -0.008995 7 6 0 1.088593 1.474724 -0.108179 8 8 0 2.037219 2.221043 -0.191623 9 7 0 1.172823 0.122167 -0.084744 10 6 0 0.026567 -0.669707 0.036472 11 6 0 -1.206038 -0.193705 0.148368 12 1 0 3.183072 0.258973 -0.390214 13 1 0 3.830159 -1.615333 1.104065 14 1 0 2.851553 -0.422461 1.963976 15 1 0 -0.263761 2.952467 -0.005872 16 1 0 0.133415 -1.733086 0.037250 17 7 0 -2.315661 -1.050258 0.364664 18 1 0 2.131628 -1.937576 1.446544 19 1 0 1.906760 -2.127145 -1.072082 20 8 0 -3.203194 -0.756704 -0.748295 21 8 0 -1.936136 -2.329511 0.303484 22 1 0 -3.918711 -0.304688 -0.325616 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0306462 0.5448994 0.3914977 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.7387287128 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.81D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999995 -0.002563 -0.001192 0.001246 Ang= -0.35 deg. B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999999 0.000814 -0.000592 0.001183 Ang= 0.18 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.417559598 A.U. after 13 cycles NFock= 13 Conv=0.95D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.001888189 0.000437574 0.002105430 2 6 -0.001035215 0.000292849 0.000666582 3 8 0.001825586 0.000109763 -0.002420527 4 8 0.001221379 -0.000415125 0.000402100 5 6 -0.001658563 0.001061434 -0.000887480 6 7 -0.000010383 -0.000199760 0.000143948 7 6 0.000920142 0.001700946 -0.001932265 8 8 -0.001167639 -0.000452732 0.000386445 9 7 0.000717428 -0.001921538 0.001041040 10 6 0.000561816 0.001027644 -0.000625962 11 6 -0.001769015 -0.000690738 -0.000494913 12 1 -0.000123085 -0.000920821 -0.000601795 13 1 0.000204100 -0.000116875 0.000040446 14 1 0.000467015 0.000182583 0.000268125 15 1 0.000128874 0.000245283 -0.000013129 16 1 -0.000960542 0.000046032 0.001110897 17 7 0.000055305 0.000395210 -0.000977759 18 1 0.000499330 -0.000083970 -0.000046814 19 1 -0.000327089 -0.000123709 0.000248796 20 8 0.001752649 0.000732603 0.000650803 21 8 0.000409968 -0.001306825 0.000610273 22 1 0.000176127 0.000000170 0.000325759 ------------------------------------------------------------------- Cartesian Forces: Max 0.002420527 RMS 0.000933066 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002782055 RMS 0.000672035 Search for a local minimum. Step number 27 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 25 27 DE= -1.12D-03 DEPred=-1.36D-03 R= 8.27D-01 TightC=F SS= 1.41D+00 RLast= 7.11D-01 DXNew= 2.3731D+00 2.1322D+00 Trust test= 8.27D-01 RLast= 7.11D-01 DXMaxT set to 2.13D+00 ITU= 1 -1 1 1 1 -1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 ITU= -1 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00165 0.00185 0.00339 0.00525 0.00820 Eigenvalues --- 0.01473 0.01595 0.01900 0.01985 0.02110 Eigenvalues --- 0.02233 0.02581 0.03338 0.05385 0.05623 Eigenvalues --- 0.05754 0.05898 0.07665 0.08395 0.10140 Eigenvalues --- 0.14883 0.15881 0.16022 0.16054 0.16350 Eigenvalues --- 0.16599 0.17639 0.18569 0.20049 0.23298 Eigenvalues --- 0.24072 0.24537 0.24756 0.25573 0.25872 Eigenvalues --- 0.26850 0.30102 0.30560 0.32890 0.34248 Eigenvalues --- 0.34739 0.34854 0.34988 0.35173 0.35330 Eigenvalues --- 0.37987 0.40628 0.41432 0.42721 0.42999 Eigenvalues --- 0.45487 0.47122 0.48157 0.49270 0.51135 Eigenvalues --- 0.58871 0.66245 0.71327 0.89524 0.96746 RFO step: Lambda=-6.53290296D-04 EMin= 1.64769893D-03 Quartic linear search produced a step of 0.02332. Iteration 1 RMS(Cart)= 0.08821251 RMS(Int)= 0.00274399 Iteration 2 RMS(Cart)= 0.00398288 RMS(Int)= 0.00013817 Iteration 3 RMS(Cart)= 0.00000835 RMS(Int)= 0.00013800 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00013800 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87761 0.00092 -0.00001 0.00280 0.00279 2.88040 R2 2.63169 0.00082 0.00002 0.00500 0.00502 2.63671 R3 2.75651 -0.00010 -0.00007 -0.00262 -0.00269 2.75382 R4 2.02964 -0.00027 0.00003 -0.00002 0.00001 2.02965 R5 2.04926 0.00024 -0.00005 0.00049 0.00044 2.04970 R6 2.04846 0.00032 0.00003 0.00091 0.00094 2.04940 R7 2.05209 -0.00039 -0.00002 -0.00195 -0.00197 2.05012 R8 1.79106 0.00041 0.00011 -0.00031 -0.00020 1.79086 R9 2.26554 -0.00124 -0.00002 -0.00110 -0.00111 2.26442 R10 2.63683 0.00015 0.00000 -0.00052 -0.00061 2.63623 R11 2.76662 0.00065 0.00003 0.00042 0.00038 2.76700 R12 2.58807 0.00012 0.00002 -0.00029 -0.00031 2.58776 R13 1.88284 0.00025 0.00001 0.00036 0.00036 1.88321 R14 2.28637 -0.00130 -0.00003 -0.00131 -0.00134 2.28503 R15 2.56130 0.00181 0.00007 0.00413 0.00426 2.56556 R16 2.64269 -0.00020 -0.00002 0.00108 0.00115 2.64383 R17 2.50587 -0.00042 0.00003 -0.00088 -0.00082 2.50506 R18 2.01961 0.00053 0.00008 0.00111 0.00119 2.02080 R19 2.68030 -0.00195 -0.00008 -0.00094 -0.00102 2.67929 R20 2.74666 -0.00184 -0.00007 0.00017 0.00010 2.74676 R21 2.52423 0.00147 -0.00004 0.00187 0.00184 2.52607 R22 1.78771 -0.00008 -0.00001 -0.00285 -0.00287 1.78484 A1 1.94174 0.00106 -0.00025 0.00538 0.00506 1.94680 A2 1.93891 0.00026 0.00000 0.00899 0.00893 1.94785 A3 1.92088 0.00019 0.00010 0.00133 0.00146 1.92233 A4 1.94751 -0.00031 -0.00006 0.00347 0.00332 1.95083 A5 1.85814 -0.00118 0.00026 -0.01389 -0.01363 1.84451 A6 1.85275 -0.00013 -0.00002 -0.00688 -0.00690 1.84586 A7 1.91370 -0.00021 -0.00010 -0.00462 -0.00472 1.90898 A8 1.92332 0.00030 0.00000 0.00459 0.00459 1.92791 A9 1.94188 0.00024 0.00008 0.00242 0.00248 1.94436 A10 1.90404 -0.00021 0.00014 -0.00117 -0.00103 1.90301 A11 1.89531 -0.00014 -0.00017 -0.00530 -0.00548 1.88983 A12 1.88488 0.00001 0.00005 0.00400 0.00403 1.88891 A13 1.92701 -0.00022 -0.00005 0.00033 0.00029 1.92730 A14 2.07359 -0.00024 0.00002 0.00055 0.00062 2.07421 A15 2.23547 0.00076 0.00001 0.00127 0.00133 2.23681 A16 1.97407 -0.00052 -0.00003 -0.00187 -0.00203 1.97205 A17 2.25291 0.00017 0.00005 0.00272 0.00243 2.25534 A18 2.02076 0.00000 0.00000 -0.00066 -0.00092 2.01985 A19 2.00765 -0.00017 -0.00003 0.00043 0.00015 2.00780 A20 2.11544 -0.00013 -0.00004 -0.00093 -0.00103 2.11441 A21 1.99274 0.00030 -0.00000 0.00114 0.00122 1.99396 A22 2.17491 -0.00017 0.00005 -0.00028 -0.00028 2.17462 A23 2.08698 0.00019 0.00000 0.00039 -0.00041 2.08657 A24 2.08337 0.00074 0.00007 0.00510 0.00437 2.08774 A25 2.11254 -0.00093 -0.00005 -0.00394 -0.00448 2.10806 A26 2.17239 0.00051 0.00006 0.00208 0.00227 2.17465 A27 2.07320 0.00069 0.00020 0.00716 0.00725 2.08044 A28 2.03760 -0.00120 -0.00025 -0.00919 -0.00955 2.02805 A29 2.06004 0.00047 -0.00002 0.00128 0.00127 2.06131 A30 2.09785 0.00099 0.00008 0.00142 0.00150 2.09935 A31 2.12150 -0.00146 -0.00005 -0.00259 -0.00265 2.11886 A32 1.81211 -0.00278 0.00006 -0.00887 -0.00882 1.80329 A33 1.92740 0.00009 -0.00004 -0.00163 -0.00168 1.92572 A34 1.90906 0.00116 0.00002 0.00145 0.00145 1.91050 A35 1.78874 -0.00064 0.00014 -0.00113 -0.00099 1.78775 D1 0.98262 -0.00043 -0.00007 0.00501 0.00493 0.98755 D2 3.07866 -0.00064 0.00004 0.00352 0.00353 3.08219 D3 -1.11431 -0.00028 0.00016 0.01313 0.01327 -1.10104 D4 -3.11952 0.00015 -0.00034 0.02023 0.01990 -3.09961 D5 -1.02348 -0.00006 -0.00023 0.01873 0.01851 -1.00497 D6 1.06674 0.00030 -0.00011 0.02834 0.02825 1.09498 D7 -1.07264 0.00026 -0.00030 0.01805 0.01776 -1.05488 D8 1.02339 0.00005 -0.00019 0.01656 0.01637 1.03976 D9 3.11361 0.00041 -0.00007 0.02617 0.02611 3.13972 D10 1.10883 0.00023 0.00931 0.07932 0.08863 1.19745 D11 -1.06739 -0.00068 0.00954 0.06092 0.07047 -0.99692 D12 -3.08149 0.00032 0.00944 0.07537 0.08480 -2.99669 D13 1.91823 0.00020 0.00099 0.15564 0.15668 2.07491 D14 -1.19762 0.00010 0.00022 0.08783 0.08796 -1.10966 D15 -2.18716 0.00155 0.00062 0.17199 0.17268 -2.01448 D16 0.98018 0.00145 -0.00015 0.10418 0.10396 1.08414 D17 -0.16975 -0.00009 0.00088 0.15325 0.15422 -0.01554 D18 2.99758 -0.00020 0.00011 0.08544 0.08550 3.08308 D19 3.06299 -0.00008 0.00028 0.02708 0.02736 3.09036 D20 -0.00923 -0.00006 -0.00011 -0.01936 -0.01946 -0.02868 D21 -0.06904 0.00007 0.00019 0.03275 0.03292 -0.03611 D22 -3.14126 0.00009 -0.00020 -0.01369 -0.01390 3.12803 D23 -3.08421 0.00025 0.00005 0.00255 0.00260 -3.08161 D24 -0.03466 0.00016 0.00012 0.00378 0.00392 -0.03075 D25 0.04673 0.00007 0.00015 -0.00377 -0.00360 0.04314 D26 3.09628 -0.00002 0.00022 -0.00254 -0.00229 3.09400 D27 -3.07908 0.00002 -0.00061 -0.04012 -0.04072 -3.11980 D28 0.04776 -0.00012 -0.00039 -0.04556 -0.04597 0.00179 D29 -0.00643 0.00000 -0.00022 0.00599 0.00579 -0.00063 D30 3.12041 -0.00014 -0.00000 0.00055 0.00055 3.12096 D31 -3.11904 -0.00005 -0.00053 -0.03967 -0.04006 3.12409 D32 -0.00363 0.00008 0.00026 0.02944 0.02962 0.02599 D33 0.00722 -0.00019 -0.00031 -0.04534 -0.04552 -0.03829 D34 3.12263 -0.00006 0.00048 0.02378 0.02415 -3.13640 D35 3.10455 0.00016 0.00084 0.06311 0.06393 -3.11470 D36 -0.04101 0.00049 0.00087 0.07714 0.07806 0.03705 D37 -0.01091 0.00004 0.00005 -0.00579 -0.00571 -0.01663 D38 3.12672 0.00036 0.00008 0.00824 0.00841 3.13513 D39 -0.01281 -0.00012 -0.00026 -0.00788 -0.00813 -0.02094 D40 -3.06105 -0.00017 -0.00034 -0.00935 -0.00969 -3.07074 D41 3.13267 -0.00044 -0.00030 -0.02168 -0.02190 3.11077 D42 0.08443 -0.00049 -0.00038 -0.02315 -0.02346 0.06097 D43 1.09053 -0.00019 -0.00015 0.00259 0.00243 1.09296 D44 3.13524 -0.00031 -0.00012 -0.00132 -0.00143 3.13381 D45 -2.14641 -0.00017 -0.00007 0.00408 0.00400 -2.14241 D46 -0.10170 -0.00029 -0.00004 0.00017 0.00014 -0.10156 D47 -1.91467 -0.00043 -0.00085 0.00362 0.00277 -1.91191 D48 2.31105 0.00040 -0.00085 0.00952 0.00868 2.31973 Item Value Threshold Converged? Maximum Force 0.002782 0.000450 NO RMS Force 0.000672 0.000300 NO Maximum Displacement 0.363640 0.001800 NO RMS Displacement 0.088439 0.001200 NO Predicted change in Energy=-3.741452D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.026070 -4.903459 2.015984 2 6 0 7.116847 -5.092490 3.525732 3 8 0 7.011081 -6.127470 1.346358 4 8 0 2.761750 -1.786486 0.627071 5 6 0 3.626046 -2.555117 0.940239 6 7 0 4.954457 -2.215071 0.683713 7 6 0 6.099136 -2.898424 0.996687 8 8 0 7.188819 -2.452770 0.720807 9 7 0 5.888070 -4.071386 1.646906 10 6 0 4.589663 -4.514874 1.920434 11 6 0 3.485703 -3.853549 1.602329 12 1 0 7.895180 -4.385751 1.655159 13 1 0 7.997501 -5.679715 3.762571 14 1 0 7.187502 -4.132079 4.024477 15 1 0 5.096507 -1.343213 0.222414 16 1 0 4.452515 -5.445620 2.428802 17 7 0 2.205222 -4.325152 1.987247 18 1 0 6.246914 -5.612567 3.912631 19 1 0 6.201503 -6.588928 1.518823 20 8 0 1.500522 -4.451083 0.722232 21 8 0 2.306587 -5.527625 2.562273 22 1 0 0.871403 -3.748170 0.769113 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524242 0.000000 3 O 1.395287 2.414962 0.000000 4 O 5.461595 6.188600 6.117052 0.000000 5 C 4.269906 5.030778 4.938127 1.198280 0.000000 6 N 3.646088 4.586125 4.469415 2.234917 1.395031 7 C 2.432764 3.499391 3.373523 3.537112 2.497442 8 O 2.776661 3.852390 3.731800 4.477908 3.570991 9 N 1.457261 2.466280 2.361983 4.004336 2.813396 10 C 2.469050 3.049145 2.965349 3.529611 2.393739 11 C 3.715860 4.291813 4.202919 2.397495 1.464235 12 H 1.074043 2.145770 1.977518 5.845104 4.699769 13 H 2.144019 1.084656 2.647942 7.238901 6.069455 14 H 2.157576 1.084494 3.344403 6.052392 4.968229 15 H 4.428934 5.389876 5.274274 2.410670 2.036232 16 H 2.662243 2.902864 2.860570 4.415222 3.354680 17 N 4.855496 5.203826 5.172559 2.933365 2.499598 18 H 2.169606 1.084875 2.726689 6.130267 5.005203 19 H 1.941103 2.665495 0.947683 5.974158 4.820722 20 O 5.692989 6.309844 5.793623 2.949547 2.856583 21 O 4.791819 4.925058 4.895970 4.236543 3.634249 22 H 6.385084 6.957852 6.609835 2.727964 3.006778 6 7 8 9 10 6 N 0.000000 7 C 1.369384 0.000000 8 O 2.247277 1.209185 0.000000 9 N 2.290258 1.357636 2.273659 0.000000 10 C 2.636598 2.396816 3.528030 1.399057 0.000000 11 C 2.384471 2.847647 4.056147 2.412634 1.325620 12 H 3.781985 2.423118 2.260171 2.031596 3.318657 13 H 5.544659 4.357693 4.507712 3.393002 4.045205 14 H 4.452203 3.445861 3.705984 2.710176 3.364862 15 H 0.996550 2.005852 2.420182 3.177842 3.633125 16 H 3.705904 3.354179 4.400200 2.135579 1.069362 17 N 3.702693 4.263722 5.472287 3.707236 2.392909 18 H 4.862030 3.986370 4.589035 2.763606 2.814296 19 H 4.624192 3.728662 4.326595 2.540209 2.657258 20 O 4.114717 4.861412 6.029095 4.499974 3.313993 21 O 4.638234 4.873108 6.056560 3.973103 2.578770 22 H 4.362225 5.301230 6.449041 5.103129 3.967219 11 12 13 14 15 11 C 0.000000 12 H 4.441791 0.000000 13 H 5.325209 2.475076 0.000000 14 H 4.432572 2.485724 1.766316 0.000000 15 H 3.286433 4.375198 6.305056 5.158073 0.000000 16 H 2.037762 3.684262 3.794821 3.428079 4.702406 17 N 1.417817 5.699962 6.207827 5.386158 4.512885 18 H 4.006985 3.052546 1.758289 1.757572 5.759212 19 H 3.855495 2.782286 3.014412 3.645079 5.515362 20 O 2.252235 6.462683 7.277633 6.583945 4.779099 21 O 2.261490 5.775733 5.818105 5.282889 5.546882 22 H 2.745891 7.108095 7.966990 7.116030 4.892259 16 17 18 19 20 16 H 0.000000 17 N 2.549656 0.000000 18 H 2.334414 4.658306 0.000000 19 H 2.279073 4.616748 2.585664 0.000000 20 O 3.551866 1.453521 5.835747 5.225339 0.000000 21 O 2.151638 1.336739 4.166156 4.169595 2.279131 22 H 4.296541 1.896268 6.500292 6.086209 0.944496 21 22 21 O 0.000000 22 H 2.905449 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.483099 -0.500368 -0.123940 2 6 0 2.823839 -1.307425 1.123404 3 8 0 2.588712 -1.274653 -1.279861 4 8 0 -2.422315 1.866065 0.283411 5 6 0 -1.399196 1.253438 0.165973 6 7 0 -0.203676 1.959555 0.030914 7 6 0 1.077199 1.484028 -0.060984 8 8 0 2.018795 2.237043 -0.153136 9 7 0 1.174194 0.130686 -0.013716 10 6 0 0.028705 -0.666175 0.087401 11 6 0 -1.209369 -0.198436 0.162658 12 1 0 3.184888 0.303222 -0.247650 13 1 0 3.819619 -1.725038 1.020925 14 1 0 2.794431 -0.674981 2.003902 15 1 0 -0.287022 2.952502 0.016007 16 1 0 0.134098 -1.729926 0.116725 17 7 0 -2.316275 -1.064654 0.348748 18 1 0 2.125448 -2.124708 1.269183 19 1 0 1.907585 -1.933254 -1.300164 20 8 0 -3.163224 -0.776636 -0.796872 21 8 0 -1.920823 -2.340657 0.300724 22 1 0 -3.893572 -0.326596 -0.401740 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0264487 0.5449754 0.3923162 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.5197245383 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.84D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999892 -0.014276 0.001961 -0.002836 Ang= -1.68 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.417910200 A.U. after 13 cycles NFock= 13 Conv=0.80D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000220113 0.001731390 -0.000190150 2 6 -0.001233202 -0.000666186 -0.000587986 3 8 0.000913864 0.000170338 -0.000963964 4 8 0.000490340 0.000120209 0.000020673 5 6 -0.000963046 0.000088839 0.000052102 6 7 -0.000074980 -0.000260451 -0.000725920 7 6 0.001530285 0.001368343 -0.001340946 8 8 -0.001177749 -0.000090816 0.000166479 9 7 0.000336121 -0.001613697 0.001817484 10 6 0.000305970 0.000463615 0.000199657 11 6 -0.000691634 0.000078588 -0.000351287 12 1 0.000134847 -0.000440894 0.000639212 13 1 0.000110853 0.000086614 -0.000267946 14 1 0.000083682 -0.000077985 -0.000213045 15 1 0.000292139 0.000107290 0.000151215 16 1 0.000568393 -0.000663183 0.000194492 17 7 0.000282238 0.000012802 -0.000792178 18 1 0.000246770 0.000171009 0.000460226 19 1 -0.001276927 -0.000241599 0.000789160 20 8 0.001819006 -0.000926867 0.000478352 21 8 -0.000288483 -0.000662087 0.000162528 22 1 -0.001188373 0.001244727 0.000301843 ------------------------------------------------------------------- Cartesian Forces: Max 0.001819006 RMS 0.000742659 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001732896 RMS 0.000517077 Search for a local minimum. Step number 28 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 27 28 DE= -3.51D-04 DEPred=-3.74D-04 R= 9.37D-01 TightC=F SS= 1.41D+00 RLast= 3.88D-01 DXNew= 3.5860D+00 1.1651D+00 Trust test= 9.37D-01 RLast= 3.88D-01 DXMaxT set to 2.13D+00 ITU= 1 1 -1 1 1 1 -1 1 1 1 1 1 1 1 1 0 1 1 1 0 ITU= 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00167 0.00198 0.00339 0.00481 0.00824 Eigenvalues --- 0.01477 0.01569 0.01897 0.01992 0.02131 Eigenvalues --- 0.02238 0.02572 0.03365 0.05349 0.05637 Eigenvalues --- 0.05707 0.05922 0.07615 0.08735 0.10155 Eigenvalues --- 0.14915 0.15895 0.16033 0.16107 0.16487 Eigenvalues --- 0.16929 0.17641 0.18703 0.19894 0.23352 Eigenvalues --- 0.24060 0.24543 0.24776 0.25778 0.25920 Eigenvalues --- 0.27311 0.30173 0.30962 0.33102 0.34620 Eigenvalues --- 0.34791 0.34921 0.34996 0.35274 0.35499 Eigenvalues --- 0.37976 0.40604 0.41164 0.42701 0.43125 Eigenvalues --- 0.45198 0.47131 0.48142 0.49374 0.50772 Eigenvalues --- 0.58901 0.66976 0.69792 0.89436 0.96364 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 28 27 RFO step: Lambda=-1.82224569D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.32367 -0.32367 Iteration 1 RMS(Cart)= 0.03160934 RMS(Int)= 0.00034090 Iteration 2 RMS(Cart)= 0.00063044 RMS(Int)= 0.00009657 Iteration 3 RMS(Cart)= 0.00000012 RMS(Int)= 0.00009657 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88040 -0.00059 0.00090 -0.00177 -0.00086 2.87954 R2 2.63671 0.00015 0.00162 -0.00066 0.00096 2.63767 R3 2.75382 -0.00147 -0.00087 -0.00393 -0.00480 2.74902 R4 2.02965 -0.00032 0.00000 -0.00113 -0.00112 2.02852 R5 2.04970 -0.00002 0.00014 -0.00020 -0.00005 2.04965 R6 2.04940 -0.00016 0.00030 -0.00053 -0.00022 2.04917 R7 2.05012 -0.00012 -0.00064 -0.00036 -0.00100 2.04912 R8 1.79086 0.00135 -0.00006 0.00206 0.00200 1.79286 R9 2.26442 -0.00028 -0.00036 0.00001 -0.00035 2.26407 R10 2.63623 0.00053 -0.00020 0.00106 0.00080 2.63703 R11 2.76700 0.00046 0.00012 0.00054 0.00061 2.76761 R12 2.58776 0.00008 -0.00010 0.00006 -0.00005 2.58771 R13 1.88321 0.00007 0.00012 -0.00024 -0.00012 1.88309 R14 2.28503 -0.00113 -0.00043 -0.00102 -0.00145 2.28358 R15 2.56556 0.00151 0.00138 0.00222 0.00366 2.56922 R16 2.64383 -0.00071 0.00037 -0.00137 -0.00094 2.64290 R17 2.50506 0.00026 -0.00026 0.00090 0.00065 2.50571 R18 2.02080 0.00060 0.00038 0.00109 0.00147 2.02227 R19 2.67929 -0.00041 -0.00033 0.00084 0.00051 2.67980 R20 2.74676 -0.00101 0.00003 -0.00236 -0.00233 2.74443 R21 2.52607 0.00064 0.00059 0.00001 0.00061 2.52668 R22 1.78484 0.00173 -0.00093 0.00262 0.00170 1.78654 A1 1.94680 -0.00001 0.00164 -0.00273 -0.00111 1.94569 A2 1.94785 0.00017 0.00289 -0.00156 0.00130 1.94915 A3 1.92233 -0.00029 0.00047 -0.00033 0.00014 1.92247 A4 1.95083 -0.00068 0.00107 -0.00452 -0.00347 1.94736 A5 1.84451 0.00027 -0.00441 0.00103 -0.00338 1.84114 A6 1.84586 0.00057 -0.00223 0.00894 0.00670 1.85255 A7 1.90898 -0.00052 -0.00153 -0.00361 -0.00513 1.90385 A8 1.92791 -0.00033 0.00148 -0.00244 -0.00097 1.92694 A9 1.94436 0.00094 0.00080 0.00687 0.00767 1.95203 A10 1.90301 0.00018 -0.00033 -0.00087 -0.00121 1.90179 A11 1.88983 -0.00007 -0.00177 0.00074 -0.00102 1.88881 A12 1.88891 -0.00021 0.00130 -0.00073 0.00055 1.88946 A13 1.92730 -0.00119 0.00009 -0.00921 -0.00912 1.91818 A14 2.07421 -0.00044 0.00020 -0.00121 -0.00097 2.07325 A15 2.23681 0.00048 0.00043 0.00148 0.00195 2.23876 A16 1.97205 -0.00004 -0.00066 -0.00024 -0.00098 1.97106 A17 2.25534 0.00015 0.00079 0.00110 0.00175 2.25710 A18 2.01985 0.00019 -0.00030 0.00063 0.00026 2.02010 A19 2.00780 -0.00034 0.00005 -0.00190 -0.00193 2.00587 A20 2.11441 -0.00021 -0.00033 -0.00051 -0.00089 2.11353 A21 1.99396 -0.00042 0.00040 -0.00176 -0.00129 1.99267 A22 2.17462 0.00063 -0.00009 0.00222 0.00209 2.17671 A23 2.08657 0.00141 -0.00013 0.00442 0.00368 2.09025 A24 2.08774 -0.00159 0.00141 -0.00573 -0.00492 2.08282 A25 2.10806 0.00017 -0.00145 0.00046 -0.00136 2.10671 A26 2.17465 0.00019 0.00073 0.00100 0.00183 2.17648 A27 2.08044 -0.00075 0.00235 -0.00456 -0.00228 2.07816 A28 2.02805 0.00057 -0.00309 0.00363 0.00048 2.02853 A29 2.06131 -0.00005 0.00041 -0.00114 -0.00073 2.06058 A30 2.09935 0.00034 0.00048 0.00196 0.00244 2.10179 A31 2.11886 -0.00029 -0.00086 -0.00093 -0.00179 2.11706 A32 1.80329 -0.00056 -0.00285 0.00329 0.00043 1.80372 A33 1.92572 0.00054 -0.00054 0.00224 0.00169 1.92741 A34 1.91050 0.00006 0.00047 0.00118 0.00164 1.91214 A35 1.78775 -0.00031 -0.00032 0.00072 0.00040 1.78816 D1 0.98755 0.00045 0.00159 0.00294 0.00452 0.99207 D2 3.08219 0.00014 0.00114 -0.00194 -0.00081 3.08138 D3 -1.10104 0.00028 0.00429 0.00004 0.00434 -1.09670 D4 -3.09961 -0.00033 0.00644 -0.00637 0.00007 -3.09954 D5 -1.00497 -0.00063 0.00599 -0.01125 -0.00525 -1.01022 D6 1.09498 -0.00049 0.00914 -0.00926 -0.00011 1.09488 D7 -1.05488 0.00030 0.00575 0.00354 0.00928 -1.04560 D8 1.03976 -0.00001 0.00530 -0.00134 0.00396 1.04372 D9 3.13972 0.00013 0.00845 0.00065 0.00910 -3.13436 D10 1.19745 -0.00015 0.02869 -0.02966 -0.00097 1.19649 D11 -0.99692 0.00016 0.02281 -0.02197 0.00084 -0.99608 D12 -2.99669 -0.00034 0.02745 -0.03091 -0.00347 -3.00016 D13 2.07491 0.00038 0.05071 0.02089 0.07162 2.14653 D14 -1.10966 0.00007 0.02847 -0.00181 0.02664 -1.08301 D15 -2.01448 -0.00002 0.05589 0.01256 0.06848 -1.94600 D16 1.08414 -0.00033 0.03365 -0.01014 0.02350 1.10764 D17 -0.01554 0.00029 0.04991 0.01663 0.06656 0.05102 D18 3.08308 -0.00002 0.02767 -0.00607 0.02158 3.10466 D19 3.09036 -0.00008 0.00886 -0.00940 -0.00053 3.08982 D20 -0.02868 0.00009 -0.00630 0.00062 -0.00568 -0.03436 D21 -0.03611 -0.00017 0.01066 -0.01109 -0.00043 -0.03655 D22 3.12803 -0.00000 -0.00450 -0.00107 -0.00558 3.12245 D23 -3.08161 0.00009 0.00084 0.00926 0.01011 -3.07150 D24 -0.03075 0.00011 0.00127 0.00780 0.00906 -0.02168 D25 0.04314 0.00018 -0.00116 0.01111 0.00996 0.05310 D26 3.09400 0.00020 -0.00074 0.00965 0.00892 3.10292 D27 -3.11980 0.00005 -0.01318 0.00335 -0.00988 -3.12968 D28 0.00179 0.00003 -0.01488 0.00092 -0.01398 -0.01219 D29 -0.00063 -0.00011 0.00188 -0.00659 -0.00474 -0.00538 D30 3.12096 -0.00013 0.00018 -0.00902 -0.00884 3.11212 D31 3.12409 -0.00024 -0.01296 -0.01381 -0.02683 3.09726 D32 0.02599 0.00011 0.00959 0.00931 0.01886 0.04484 D33 -0.03829 -0.00027 -0.01473 -0.01638 -0.03115 -0.06944 D34 -3.13640 0.00008 0.00782 0.00675 0.01454 -3.12186 D35 -3.11470 0.00019 0.02069 0.01405 0.03462 -3.08008 D36 0.03705 0.00005 0.02526 0.00604 0.03123 0.06828 D37 -0.01663 -0.00010 -0.00185 -0.00884 -0.01067 -0.02730 D38 3.13513 -0.00023 0.00272 -0.01685 -0.01406 3.12107 D39 -0.02094 -0.00007 -0.00263 -0.00239 -0.00504 -0.02598 D40 -3.07074 -0.00012 -0.00314 -0.00108 -0.00421 -3.07495 D41 3.11077 0.00005 -0.00709 0.00535 -0.00175 3.10902 D42 0.06097 0.00000 -0.00759 0.00667 -0.00093 0.06005 D43 1.09296 -0.00031 0.00079 -0.01300 -0.01221 1.08074 D44 3.13381 -0.00030 -0.00046 -0.00885 -0.00931 3.12450 D45 -2.14241 -0.00028 0.00130 -0.01451 -0.01323 -2.15564 D46 -0.10156 -0.00027 0.00005 -0.01037 -0.01032 -0.11188 D47 -1.91191 0.00005 0.00090 -0.03561 -0.03472 -1.94662 D48 2.31973 -0.00030 0.00281 -0.04044 -0.03764 2.28209 Item Value Threshold Converged? Maximum Force 0.001733 0.000450 NO RMS Force 0.000517 0.000300 NO Maximum Displacement 0.088156 0.001800 NO RMS Displacement 0.031631 0.001200 NO Predicted change in Energy=-9.316713D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.027620 -4.887394 2.027897 2 6 0 7.101598 -5.123347 3.531485 3 8 0 7.015803 -6.091242 1.321597 4 8 0 2.761713 -1.794658 0.598071 5 6 0 3.626872 -2.556653 0.924102 6 7 0 4.954821 -2.218135 0.660938 7 6 0 6.102423 -2.891660 0.984216 8 8 0 7.188545 -2.451201 0.689928 9 7 0 5.895400 -4.046629 1.670962 10 6 0 4.598233 -4.490822 1.946685 11 6 0 3.491053 -3.844310 1.608516 12 1 0 7.903925 -4.366417 1.691795 13 1 0 7.981478 -5.717105 3.754375 14 1 0 7.170881 -4.178729 4.059469 15 1 0 5.094749 -1.356480 0.180360 16 1 0 4.465306 -5.413308 2.472569 17 7 0 2.212499 -4.321051 1.994513 18 1 0 6.231397 -5.655311 3.899685 19 1 0 6.199718 -6.549252 1.477610 20 8 0 1.510780 -4.459612 0.730576 21 8 0 2.318186 -5.517801 2.581325 22 1 0 0.855997 -3.779883 0.785327 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523786 0.000000 3 O 1.395796 2.414080 0.000000 4 O 5.459614 6.206423 6.089450 0.000000 5 C 4.267998 5.045799 4.912858 1.198095 0.000000 6 N 3.645548 4.613995 4.436786 2.234504 1.395456 7 C 2.434793 3.530914 3.344460 3.537353 2.498839 8 O 2.784079 3.901585 3.698478 4.476196 3.570920 9 N 1.454719 2.464909 2.357498 4.005305 2.814969 10 C 2.462881 3.029606 2.965927 3.529996 2.393790 11 C 3.710958 4.285998 4.189855 2.398752 1.464558 12 H 1.073449 2.145024 1.975051 5.852566 4.707205 13 H 2.139858 1.084627 2.644034 7.252157 6.079596 14 H 2.156389 1.084376 3.343306 6.091456 5.002165 15 H 4.429079 5.426487 5.235536 2.410299 2.036720 16 H 2.653256 2.855769 2.879125 4.417081 3.355771 17 N 4.848427 5.187412 5.163150 2.938426 2.501865 18 H 2.174225 1.084346 2.729810 6.151748 5.023875 19 H 1.936494 2.658006 0.948740 5.932928 4.781920 20 O 5.683446 6.288313 5.772070 2.946926 2.852464 21 O 4.783562 4.892794 4.897280 4.241675 3.636956 22 H 6.392143 6.953690 6.600998 2.758249 3.032045 6 7 8 9 10 6 N 0.000000 7 C 1.369356 0.000000 8 O 2.246037 1.208417 0.000000 9 N 2.290902 1.359571 2.275971 0.000000 10 C 2.635415 2.397135 3.528344 1.398561 0.000000 11 C 2.384317 2.848955 4.056600 2.413653 1.325965 12 H 3.791438 2.433308 2.276743 2.033930 3.317838 13 H 5.565321 4.380384 4.548154 3.388630 4.027140 14 H 4.506092 3.500761 3.786617 2.710953 3.343617 15 H 0.996486 2.004587 2.417034 3.178025 3.631878 16 H 3.705505 3.354706 4.400899 2.134374 1.070142 17 N 3.704188 4.265602 5.473510 3.707257 2.392245 18 H 4.892168 4.019248 4.635190 2.769107 2.799547 19 H 4.579880 3.692003 4.288618 2.528461 2.649891 20 O 4.109804 4.858600 6.022656 4.503307 3.318473 21 O 4.639777 4.875226 6.058203 3.973610 2.579936 22 H 4.388039 5.324799 6.471140 5.123582 3.982275 11 12 13 14 15 11 C 0.000000 12 H 4.444432 0.000000 13 H 5.317517 2.466700 0.000000 14 H 4.433976 2.485650 1.765432 0.000000 15 H 3.286453 4.385844 6.334180 5.227131 0.000000 16 H 2.038998 3.678273 3.754834 3.370842 4.701944 17 N 1.418088 5.699651 6.190896 5.373067 4.515218 18 H 4.004830 3.055057 1.757190 1.757401 5.797007 19 H 3.830237 2.777583 3.008454 3.637105 5.465226 20 O 2.251856 6.465673 7.252212 6.572455 4.772526 21 O 2.263305 5.772126 5.786937 5.246587 5.548922 22 H 2.761396 7.130147 7.958677 7.124383 4.919948 16 17 18 19 20 16 H 0.000000 17 N 2.548863 0.000000 18 H 2.283484 4.643433 0.000000 19 H 2.299673 4.596736 2.581972 0.000000 20 O 3.559958 1.452289 5.810092 5.187562 0.000000 21 O 2.152411 1.337060 4.131610 4.165138 2.279680 22 H 4.306039 1.896072 6.489328 6.058384 0.945394 21 22 21 O 0.000000 22 H 2.895507 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.481256 -0.498709 -0.112879 2 6 0 2.811611 -1.366317 1.095444 3 8 0 2.580363 -1.221005 -1.303137 4 8 0 -2.424209 1.865265 0.281348 5 6 0 -1.400370 1.253176 0.169400 6 7 0 -0.204993 1.961192 0.038686 7 6 0 1.077856 1.489825 -0.046441 8 8 0 2.015294 2.245904 -0.145564 9 7 0 1.179027 0.135703 0.021022 10 6 0 0.034077 -0.662348 0.111449 11 6 0 -1.206793 -0.198533 0.168897 12 1 0 3.194162 0.298929 -0.201375 13 1 0 3.805236 -1.783202 0.971624 14 1 0 2.788498 -0.774281 2.003646 15 1 0 -0.290030 2.953804 0.016956 16 1 0 0.143194 -1.726416 0.143974 17 7 0 -2.311984 -1.070428 0.340147 18 1 0 2.111213 -2.186602 1.206721 19 1 0 1.889031 -1.869332 -1.346034 20 8 0 -3.152957 -0.774837 -0.806384 21 8 0 -1.913357 -2.345533 0.285973 22 1 0 -3.902561 -0.359087 -0.407615 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0233022 0.5469419 0.3929356 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.7130385462 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.86D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999986 -0.005322 0.000090 -0.000152 Ang= -0.61 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.418016504 A.U. after 13 cycles NFock= 13 Conv=0.48D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000228001 0.000670821 -0.000392848 2 6 0.000190263 -0.000230068 -0.000310557 3 8 -0.000297534 -0.000818428 -0.000176306 4 8 0.000437647 -0.000022653 0.000130141 5 6 -0.000842716 0.000244344 0.000043766 6 7 -0.000041686 -0.000380025 -0.000686423 7 6 0.000650257 0.000614209 -0.000255073 8 8 -0.000363781 -0.000535964 0.000243439 9 7 0.000360599 0.000472805 0.000804605 10 6 -0.000756561 -0.000456899 0.000122570 11 6 -0.000817321 -0.000394073 -0.000095064 12 1 0.000232725 0.000594421 0.000587333 13 1 0.000092954 0.000025818 0.000003261 14 1 -0.000052612 0.000001502 -0.000030366 15 1 0.000117194 0.000176338 0.000077701 16 1 0.000386718 0.000066908 -0.000237275 17 7 0.000403324 0.000596080 -0.000578507 18 1 0.000052438 0.000133172 0.000085022 19 1 -0.000225364 -0.000407728 0.000004025 20 8 0.001032355 -0.000279997 0.000348235 21 8 -0.000052440 -0.000434412 0.000082645 22 1 -0.000278457 0.000363830 0.000229677 ------------------------------------------------------------------- Cartesian Forces: Max 0.001032355 RMS 0.000409237 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001149142 RMS 0.000285676 Search for a local minimum. Step number 29 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 27 28 29 DE= -1.06D-04 DEPred=-9.32D-05 R= 1.14D+00 TightC=F SS= 1.41D+00 RLast= 1.59D-01 DXNew= 3.5860D+00 4.7791D-01 Trust test= 1.14D+00 RLast= 1.59D-01 DXMaxT set to 2.13D+00 ITU= 1 1 1 -1 1 1 1 -1 1 1 1 1 1 1 1 1 0 1 1 1 ITU= 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00161 0.00196 0.00353 0.00452 0.00848 Eigenvalues --- 0.01330 0.01499 0.01898 0.01992 0.02124 Eigenvalues --- 0.02277 0.02611 0.03340 0.05552 0.05654 Eigenvalues --- 0.05804 0.05926 0.07585 0.08871 0.10144 Eigenvalues --- 0.15221 0.15897 0.16013 0.16217 0.16298 Eigenvalues --- 0.17059 0.17725 0.18861 0.20107 0.23320 Eigenvalues --- 0.24129 0.24567 0.24998 0.25725 0.26300 Eigenvalues --- 0.27780 0.30220 0.30919 0.33141 0.34526 Eigenvalues --- 0.34843 0.34962 0.35030 0.35280 0.36515 Eigenvalues --- 0.37950 0.39652 0.40762 0.42173 0.43001 Eigenvalues --- 0.44902 0.47545 0.48051 0.50259 0.50888 Eigenvalues --- 0.58801 0.66302 0.68721 0.89393 0.95992 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 29 28 27 RFO step: Lambda=-6.16778616D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.63898 -0.73839 0.09941 Iteration 1 RMS(Cart)= 0.01112272 RMS(Int)= 0.00009103 Iteration 2 RMS(Cart)= 0.00015755 RMS(Int)= 0.00003664 Iteration 3 RMS(Cart)= 0.00000002 RMS(Int)= 0.00003664 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87954 -0.00022 -0.00083 0.00019 -0.00064 2.87890 R2 2.63767 0.00115 0.00012 0.00288 0.00299 2.64067 R3 2.74902 -0.00022 -0.00280 0.00109 -0.00171 2.74731 R4 2.02852 0.00029 -0.00072 0.00118 0.00046 2.02899 R5 2.04965 0.00006 -0.00008 0.00030 0.00022 2.04987 R6 2.04917 -0.00002 -0.00024 0.00015 -0.00008 2.04909 R7 2.04912 -0.00008 -0.00044 -0.00010 -0.00055 2.04857 R8 1.79286 0.00039 0.00130 -0.00029 0.00101 1.79387 R9 2.26407 -0.00037 -0.00011 -0.00077 -0.00088 2.26319 R10 2.63703 0.00039 0.00057 0.00055 0.00110 2.63813 R11 2.76761 0.00033 0.00035 0.00107 0.00140 2.76902 R12 2.58771 0.00013 -0.00000 0.00015 0.00015 2.58785 R13 1.88309 0.00013 -0.00011 0.00032 0.00020 1.88329 R14 2.28358 -0.00058 -0.00079 -0.00015 -0.00095 2.28263 R15 2.56922 -0.00003 0.00191 -0.00130 0.00064 2.56986 R16 2.64290 0.00017 -0.00071 0.00148 0.00079 2.64368 R17 2.50571 -0.00005 0.00050 -0.00063 -0.00014 2.50558 R18 2.02227 -0.00022 0.00082 -0.00159 -0.00077 2.02150 R19 2.67980 -0.00106 0.00043 -0.00226 -0.00183 2.67797 R20 2.74443 -0.00088 -0.00150 -0.00184 -0.00334 2.74109 R21 2.52668 0.00042 0.00021 0.00138 0.00158 2.52826 R22 1.78654 0.00047 0.00137 -0.00111 0.00026 1.78679 A1 1.94569 -0.00035 -0.00121 0.00045 -0.00077 1.94492 A2 1.94915 0.00047 -0.00005 0.00248 0.00242 1.95157 A3 1.92247 -0.00045 -0.00006 -0.00514 -0.00521 1.91727 A4 1.94736 -0.00009 -0.00255 0.00381 0.00127 1.94863 A5 1.84114 0.00054 -0.00080 0.00335 0.00255 1.84369 A6 1.85255 -0.00012 0.00497 -0.00541 -0.00044 1.85211 A7 1.90385 -0.00002 -0.00281 0.00148 -0.00133 1.90251 A8 1.92694 -0.00009 -0.00107 0.00067 -0.00041 1.92652 A9 1.95203 0.00017 0.00465 -0.00193 0.00273 1.95475 A10 1.90179 0.00002 -0.00067 0.00032 -0.00036 1.90143 A11 1.88881 0.00000 -0.00011 0.00022 0.00012 1.88893 A12 1.88946 -0.00008 -0.00005 -0.00073 -0.00078 1.88868 A13 1.91818 0.00042 -0.00585 0.00596 0.00010 1.91828 A14 2.07325 -0.00024 -0.00068 -0.00045 -0.00111 2.07213 A15 2.23876 0.00030 0.00111 0.00060 0.00173 2.24049 A16 1.97106 -0.00006 -0.00043 -0.00014 -0.00061 1.97046 A17 2.25710 -0.00004 0.00088 -0.00063 0.00026 2.25736 A18 2.02010 0.00011 0.00025 0.00014 0.00042 2.02053 A19 2.00587 -0.00007 -0.00125 0.00040 -0.00082 2.00505 A20 2.11353 0.00046 -0.00046 0.00228 0.00179 2.11532 A21 1.99267 -0.00008 -0.00094 0.00052 -0.00038 1.99229 A22 2.17671 -0.00038 0.00136 -0.00277 -0.00143 2.17528 A23 2.09025 -0.00023 0.00239 -0.00351 -0.00135 2.08890 A24 2.08282 -0.00001 -0.00357 0.00230 -0.00148 2.08135 A25 2.10671 0.00022 -0.00042 0.00039 -0.00017 2.10654 A26 2.17648 -0.00011 0.00094 -0.00083 0.00014 2.17662 A27 2.07816 -0.00032 -0.00218 -0.00028 -0.00248 2.07568 A28 2.02853 0.00042 0.00125 0.00110 0.00234 2.03087 A29 2.06058 0.00005 -0.00059 0.00038 -0.00023 2.06035 A30 2.10179 0.00012 0.00141 -0.00040 0.00102 2.10282 A31 2.11706 -0.00017 -0.00088 0.00012 -0.00075 2.11631 A32 1.80372 -0.00079 0.00115 -0.00530 -0.00415 1.79957 A33 1.92741 0.00024 0.00125 0.00058 0.00183 1.92923 A34 1.91214 0.00009 0.00090 -0.00034 0.00057 1.91271 A35 1.78816 -0.00037 0.00036 -0.00231 -0.00195 1.78620 D1 0.99207 0.00012 0.00240 0.00320 0.00559 0.99766 D2 3.08138 0.00007 -0.00087 0.00493 0.00407 3.08545 D3 -1.09670 0.00002 0.00145 0.00316 0.00462 -1.09208 D4 -3.09954 0.00009 -0.00193 0.01048 0.00855 -3.09100 D5 -1.01022 0.00005 -0.00520 0.01222 0.00702 -1.00320 D6 1.09488 -0.00001 -0.00288 0.01045 0.00757 1.10245 D7 -1.04560 -0.00005 0.00417 0.00201 0.00616 -1.03943 D8 1.04372 -0.00010 0.00090 0.00374 0.00464 1.04836 D9 -3.13436 -0.00015 0.00322 0.00197 0.00519 -3.12917 D10 1.19649 0.00017 -0.00943 0.00278 -0.00665 1.18984 D11 -0.99608 -0.00011 -0.00647 -0.00376 -0.01023 -1.00632 D12 -3.00016 -0.00023 -0.01065 -0.00113 -0.01178 -3.01193 D13 2.14653 -0.00001 0.03019 -0.00485 0.02532 2.17186 D14 -1.08301 -0.00023 0.00828 -0.01546 -0.00715 -1.09017 D15 -1.94600 -0.00018 0.02659 0.00059 0.02716 -1.91884 D16 1.10764 -0.00039 0.00468 -0.01002 -0.00532 1.10232 D17 0.05102 0.00035 0.02720 0.00339 0.03056 0.08158 D18 3.10466 0.00013 0.00529 -0.00722 -0.00192 3.10274 D19 3.08982 -0.00016 -0.00306 -0.00661 -0.00967 3.08016 D20 -0.03436 0.00004 -0.00170 0.00027 -0.00144 -0.03580 D21 -0.03655 -0.00019 -0.00355 -0.00697 -0.01051 -0.04706 D22 3.12245 0.00001 -0.00219 -0.00009 -0.00228 3.12017 D23 -3.07150 0.00007 0.00620 0.00354 0.00974 -3.06176 D24 -0.02168 0.00007 0.00540 0.00481 0.01021 -0.01147 D25 0.05310 0.00011 0.00672 0.00392 0.01065 0.06375 D26 3.10292 0.00011 0.00592 0.00520 0.01112 3.11404 D27 -3.12968 0.00006 -0.00226 0.00202 -0.00027 -3.12995 D28 -0.01219 0.00011 -0.00436 0.00320 -0.00117 -0.01336 D29 -0.00538 -0.00014 -0.00361 -0.00481 -0.00843 -0.01380 D30 3.11212 -0.00008 -0.00571 -0.00363 -0.00933 3.10279 D31 3.09726 -0.00016 -0.01316 -0.00701 -0.02025 3.07701 D32 0.04484 0.00007 0.00911 0.00365 0.01277 0.05762 D33 -0.06944 -0.00009 -0.01538 -0.00570 -0.02114 -0.09058 D34 -3.12186 0.00014 0.00689 0.00497 0.01188 -3.10997 D35 -3.08008 0.00009 0.01576 0.00452 0.02023 -3.05986 D36 0.06828 0.00005 0.01219 0.00672 0.01887 0.08715 D37 -0.02730 -0.00015 -0.00625 -0.00639 -0.01265 -0.03994 D38 3.12107 -0.00019 -0.00982 -0.00419 -0.01400 3.10706 D39 -0.02598 0.00004 -0.00241 0.00212 -0.00030 -0.02628 D40 -3.07495 0.00003 -0.00173 0.00086 -0.00087 -3.07582 D41 3.10902 0.00009 0.00106 -0.00003 0.00100 3.11002 D42 0.06005 0.00007 0.00174 -0.00129 0.00043 0.06048 D43 1.08074 0.00002 -0.00804 0.00539 -0.00265 1.07809 D44 3.12450 -0.00019 -0.00580 0.00240 -0.00340 3.12110 D45 -2.15564 0.00004 -0.00885 0.00672 -0.00214 -2.15777 D46 -0.11188 -0.00018 -0.00661 0.00373 -0.00289 -0.11477 D47 -1.94662 -0.00008 -0.02246 -0.00357 -0.02603 -1.97265 D48 2.28209 0.00002 -0.02491 -0.00130 -0.02622 2.25588 Item Value Threshold Converged? Maximum Force 0.001149 0.000450 NO RMS Force 0.000286 0.000300 YES Maximum Displacement 0.034030 0.001800 NO RMS Displacement 0.011127 0.001200 NO Predicted change in Energy=-3.075226D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.023720 -4.882389 2.032186 2 6 0 7.106214 -5.133244 3.532572 3 8 0 7.006512 -6.081077 1.314185 4 8 0 2.762602 -1.790606 0.593900 5 6 0 3.625547 -2.553931 0.920968 6 7 0 4.954096 -2.219855 0.652131 7 6 0 6.101711 -2.889561 0.983527 8 8 0 7.188276 -2.455717 0.683164 9 7 0 5.894228 -4.034459 1.687454 10 6 0 4.596391 -4.481113 1.958117 11 6 0 3.489283 -3.839512 1.610764 12 1 0 7.901052 -4.359373 1.701183 13 1 0 7.990239 -5.725367 3.743663 14 1 0 7.175461 -4.193621 4.069311 15 1 0 5.095115 -1.361269 0.166189 16 1 0 4.465757 -5.402026 2.486496 17 7 0 2.211283 -4.319225 1.991317 18 1 0 6.241122 -5.671770 3.902418 19 1 0 6.192924 -6.542815 1.475408 20 8 0 1.521874 -4.460533 0.722945 21 8 0 2.315513 -5.515646 2.580962 22 1 0 0.850078 -3.797891 0.783141 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523448 0.000000 3 O 1.397381 2.414450 0.000000 4 O 5.457556 6.219002 6.077641 0.000000 5 C 4.266627 5.058496 4.901663 1.197628 0.000000 6 N 3.643759 4.627784 4.422641 2.233897 1.396038 7 C 2.433342 3.541296 3.333733 3.536829 2.499590 8 O 2.781308 3.910884 3.684353 4.476263 3.572007 9 N 1.453815 2.465908 2.359057 4.004725 2.815382 10 C 2.461389 3.033710 2.963649 3.530254 2.394211 11 C 3.709102 4.295262 4.181324 2.400019 1.465300 12 H 1.073695 2.141175 1.978442 5.850497 4.706198 13 H 2.138673 1.084743 2.645111 7.261648 6.089018 14 H 2.155761 1.084331 3.343913 6.109524 5.020212 15 H 4.427161 5.441035 5.219954 2.409955 2.037587 16 H 2.649453 2.852812 2.879386 4.418711 3.356855 17 N 4.845449 5.196003 5.153334 2.941197 2.502410 18 H 2.175627 1.084057 2.729891 6.173316 5.044919 19 H 1.938359 2.655732 0.949274 5.926859 4.775984 20 O 5.671189 6.287400 5.749520 2.946959 2.846012 21 O 4.782195 4.899246 4.891821 4.245495 3.639166 22 H 6.391409 6.962886 6.587612 2.778984 3.044612 6 7 8 9 10 6 N 0.000000 7 C 1.369433 0.000000 8 O 2.246809 1.207916 0.000000 9 N 2.290967 1.359910 2.274991 0.000000 10 C 2.635685 2.397676 3.527832 1.398978 0.000000 11 C 2.384941 2.849669 4.056831 2.414052 1.325894 12 H 3.789802 2.431668 2.273393 2.033003 3.316869 13 H 5.573539 4.384825 4.549770 3.388278 4.031692 14 H 4.528502 3.517894 3.806109 2.709268 3.345354 15 H 0.996593 2.004234 2.417934 3.177857 3.632238 16 H 3.705345 3.353766 4.398278 2.132895 1.069734 17 N 3.704564 4.265561 5.473059 3.706414 2.390826 18 H 4.912893 4.034855 4.647977 2.776183 2.811248 19 H 4.571702 3.687348 4.280507 2.534962 2.651894 20 O 4.099488 4.848790 6.010739 4.497699 3.313417 21 O 4.641632 4.876825 6.058764 3.974856 2.580815 22 H 4.398900 5.333373 6.479520 5.130029 3.985251 11 12 13 14 15 11 C 0.000000 12 H 4.443213 0.000000 13 H 5.325815 2.458784 0.000000 14 H 4.444969 2.482335 1.765263 0.000000 15 H 3.287427 4.383848 6.342351 5.252087 0.000000 16 H 2.040063 3.674929 3.755927 3.362743 4.701876 17 N 1.417120 5.697303 6.200345 5.383019 4.516313 18 H 4.022620 3.053390 1.757123 1.756635 5.818347 19 H 3.825682 2.781384 3.007248 3.634889 5.455975 20 O 2.246017 6.454541 7.250123 6.575139 4.762716 21 O 2.264608 5.771415 5.796410 5.251859 5.551231 22 H 2.766242 7.132623 7.966288 7.139046 4.933365 16 17 18 19 20 16 H 0.000000 17 N 2.549571 0.000000 18 H 2.286815 4.660611 0.000000 19 H 2.303650 4.589551 2.579034 0.000000 20 O 3.558506 1.450524 5.817856 5.169217 0.000000 21 O 2.155315 1.337897 4.145001 4.160727 2.279332 22 H 4.306716 1.893240 6.504205 6.046474 0.945531 21 22 21 O 0.000000 22 H 2.886234 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.478518 -0.496316 -0.110893 2 6 0 2.821561 -1.376289 1.084457 3 8 0 2.569266 -1.206741 -1.310782 4 8 0 -2.425469 1.865388 0.286833 5 6 0 -1.402859 1.252594 0.172522 6 7 0 -0.207842 1.961136 0.035315 7 6 0 1.075941 1.490991 -0.043503 8 8 0 2.013173 2.245507 -0.150094 9 7 0 1.178914 0.137565 0.040110 10 6 0 0.033970 -0.661934 0.124026 11 6 0 -1.207735 -0.199656 0.173641 12 1 0 3.191850 0.301997 -0.192600 13 1 0 3.817530 -1.784060 0.948676 14 1 0 2.800905 -0.795018 1.999592 15 1 0 -0.293150 2.953751 0.010126 16 1 0 0.146584 -1.725231 0.156407 17 7 0 -2.311530 -1.073164 0.337502 18 1 0 2.128541 -2.202884 1.192369 19 1 0 1.882436 -1.860719 -1.351992 20 8 0 -3.142226 -0.772983 -0.813087 21 8 0 -1.912652 -2.349019 0.282182 22 1 0 -3.904596 -0.380141 -0.414973 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0225840 0.5475845 0.3932940 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.8172619501 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.88D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999999 -0.001169 -0.000365 -0.000369 Ang= -0.15 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.418050116 A.U. after 12 cycles NFock= 12 Conv=0.47D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000378658 0.000049322 -0.000346099 2 6 0.000161143 -0.000107516 -0.000057691 3 8 -0.000449613 0.000006559 0.000317031 4 8 -0.000106308 0.000063865 0.000054179 5 6 -0.000144057 -0.000097981 0.000128975 6 7 0.000332935 -0.000239663 -0.000402140 7 6 0.000009850 0.000085777 0.000111602 8 8 0.000021673 0.000109910 -0.000065277 9 7 -0.000097570 -0.000098178 0.000286832 10 6 -0.000269888 -0.000220692 -0.000106733 11 6 -0.000035553 -0.000123767 0.000478184 12 1 0.000040209 0.000119399 0.000035019 13 1 -0.000040078 0.000002725 0.000032350 14 1 -0.000007372 0.000046666 -0.000020559 15 1 -0.000053608 0.000083224 0.000077965 16 1 0.000122160 -0.000001500 0.000046342 17 7 0.000460714 0.000140631 -0.000344857 18 1 -0.000204482 -0.000034383 0.000016404 19 1 0.000195705 0.000054559 -0.000090447 20 8 -0.000235041 -0.000000242 -0.000021133 21 8 0.000170998 0.000095686 -0.000003175 22 1 -0.000250477 0.000065601 -0.000126771 ------------------------------------------------------------------- Cartesian Forces: Max 0.000478184 RMS 0.000182452 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000730517 RMS 0.000130714 Search for a local minimum. Step number 30 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 27 28 29 30 DE= -3.36D-05 DEPred=-3.08D-05 R= 1.09D+00 TightC=F SS= 1.41D+00 RLast= 8.75D-02 DXNew= 3.5860D+00 2.6238D-01 Trust test= 1.09D+00 RLast= 8.75D-02 DXMaxT set to 2.13D+00 ITU= 1 1 1 1 -1 1 1 1 -1 1 1 1 1 1 1 1 1 0 1 1 ITU= 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00147 0.00221 0.00338 0.00439 0.00854 Eigenvalues --- 0.01098 0.01493 0.01897 0.01994 0.02121 Eigenvalues --- 0.02250 0.02640 0.03327 0.05518 0.05788 Eigenvalues --- 0.05812 0.05941 0.07904 0.08674 0.10238 Eigenvalues --- 0.14950 0.15906 0.16051 0.16121 0.16479 Eigenvalues --- 0.17289 0.17749 0.18958 0.20307 0.23317 Eigenvalues --- 0.24087 0.24672 0.24873 0.25718 0.26204 Eigenvalues --- 0.27851 0.30234 0.30942 0.33155 0.34772 Eigenvalues --- 0.34869 0.34948 0.35107 0.35299 0.37418 Eigenvalues --- 0.37981 0.40685 0.42100 0.42991 0.43750 Eigenvalues --- 0.44869 0.47806 0.48528 0.49946 0.50706 Eigenvalues --- 0.58868 0.66502 0.68247 0.89497 0.96134 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 30 29 28 27 RFO step: Lambda=-1.46934745D-05. DidBck=T Rises=F RFO-DIIS coefs: 0.78794 0.63138 -0.57571 0.15640 Iteration 1 RMS(Cart)= 0.00545769 RMS(Int)= 0.00004190 Iteration 2 RMS(Cart)= 0.00003463 RMS(Int)= 0.00002264 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002264 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87890 -0.00002 -0.00066 0.00068 0.00002 2.87892 R2 2.64067 -0.00017 -0.00102 0.00080 -0.00021 2.64045 R3 2.74731 -0.00005 -0.00123 0.00130 0.00007 2.74739 R4 2.02899 0.00008 -0.00057 0.00081 0.00024 2.02923 R5 2.04987 -0.00003 -0.00014 0.00013 -0.00001 2.04986 R6 2.04909 0.00003 -0.00022 0.00032 0.00009 2.04918 R7 2.04857 0.00019 0.00001 0.00039 0.00039 2.04896 R8 1.79387 -0.00021 0.00066 -0.00089 -0.00024 1.79363 R9 2.26319 0.00010 0.00021 -0.00029 -0.00007 2.26312 R10 2.63813 0.00021 0.00020 0.00029 0.00050 2.63863 R11 2.76902 -0.00009 -0.00010 0.00030 0.00020 2.76922 R12 2.58785 -0.00008 -0.00001 -0.00005 -0.00005 2.58780 R13 1.88329 0.00003 -0.00015 0.00026 0.00011 1.88339 R14 2.28263 0.00008 -0.00020 0.00022 0.00002 2.28265 R15 2.56986 0.00016 0.00073 -0.00073 -0.00000 2.56985 R16 2.64368 0.00011 -0.00074 0.00100 0.00025 2.64394 R17 2.50558 -0.00001 0.00043 -0.00021 0.00021 2.50578 R18 2.02150 0.00001 0.00060 -0.00075 -0.00016 2.02135 R19 2.67797 -0.00037 0.00076 -0.00179 -0.00102 2.67694 R20 2.74109 0.00035 -0.00028 -0.00000 -0.00029 2.74081 R21 2.52826 -0.00007 -0.00037 0.00073 0.00036 2.52862 R22 1.78679 0.00022 0.00110 -0.00069 0.00042 1.78721 A1 1.94492 -0.00006 -0.00109 0.00056 -0.00052 1.94440 A2 1.95157 -0.00011 -0.00136 0.00063 -0.00073 1.95084 A3 1.91727 0.00004 0.00093 -0.00084 0.00009 1.91735 A4 1.94863 -0.00003 -0.00224 0.00165 -0.00058 1.94805 A5 1.84369 0.00010 0.00018 0.00101 0.00119 1.84487 A6 1.85211 0.00007 0.00398 -0.00324 0.00074 1.85285 A7 1.90251 0.00010 -0.00113 0.00198 0.00084 1.90336 A8 1.92652 -0.00006 -0.00104 0.00054 -0.00049 1.92603 A9 1.95475 -0.00010 0.00225 -0.00285 -0.00060 1.95416 A10 1.90143 0.00000 -0.00027 0.00035 0.00007 1.90150 A11 1.88893 0.00002 0.00040 0.00011 0.00052 1.88944 A12 1.88868 0.00004 -0.00023 -0.00009 -0.00032 1.88836 A13 1.91828 0.00013 -0.00389 0.00445 0.00056 1.91884 A14 2.07213 0.00005 -0.00027 0.00002 -0.00024 2.07189 A15 2.24049 -0.00007 0.00024 0.00002 0.00026 2.24075 A16 1.97046 0.00002 0.00003 -0.00005 -0.00002 1.97043 A17 2.25736 -0.00001 0.00030 -0.00046 -0.00013 2.25723 A18 2.02053 -0.00006 0.00016 -0.00043 -0.00024 2.02029 A19 2.00505 0.00006 -0.00066 0.00072 0.00009 2.00514 A20 2.11532 -0.00009 -0.00059 0.00064 0.00005 2.11537 A21 1.99229 -0.00005 -0.00065 0.00048 -0.00018 1.99211 A22 2.17528 0.00015 0.00122 -0.00110 0.00013 2.17541 A23 2.08890 0.00003 0.00189 -0.00217 -0.00019 2.08871 A24 2.08135 -0.00009 -0.00243 0.00222 -0.00011 2.08124 A25 2.10654 0.00006 0.00017 0.00022 0.00044 2.10698 A26 2.17662 -0.00008 0.00038 -0.00071 -0.00036 2.17627 A27 2.07568 -0.00009 -0.00157 0.00076 -0.00079 2.07490 A28 2.03087 0.00016 0.00120 -0.00008 0.00114 2.03200 A29 2.06035 0.00006 -0.00046 0.00042 -0.00005 2.06029 A30 2.10282 -0.00013 0.00057 -0.00050 0.00008 2.10289 A31 2.11631 0.00006 -0.00018 0.00011 -0.00005 2.11626 A32 1.79957 0.00073 0.00244 -0.00091 0.00153 1.80110 A33 1.92923 -0.00043 0.00058 -0.00068 -0.00010 1.92914 A34 1.91271 0.00001 0.00034 0.00035 0.00070 1.91341 A35 1.78620 0.00032 0.00074 0.00012 0.00086 1.78706 D1 0.99766 0.00008 -0.00006 -0.00278 -0.00284 0.99483 D2 3.08545 0.00011 -0.00175 -0.00078 -0.00252 3.08293 D3 -1.09208 0.00005 -0.00124 -0.00244 -0.00367 -1.09575 D4 -3.09100 -0.00009 -0.00490 0.00034 -0.00456 -3.09556 D5 -1.00320 -0.00006 -0.00659 0.00233 -0.00425 -1.00746 D6 1.10245 -0.00012 -0.00607 0.00068 -0.00540 1.09705 D7 -1.03943 -0.00004 -0.00019 -0.00384 -0.00404 -1.04347 D8 1.04836 -0.00001 -0.00188 -0.00185 -0.00373 1.04463 D9 -3.12917 -0.00007 -0.00137 -0.00350 -0.00487 -3.13405 D10 1.18984 -0.00009 -0.01286 0.00817 -0.00468 1.18516 D11 -1.00632 0.00012 -0.00850 0.00563 -0.00287 -1.00919 D12 -3.01193 -0.00001 -0.01222 0.00808 -0.00414 -3.01607 D13 2.17186 0.00007 0.00016 -0.00427 -0.00412 2.16773 D14 -1.09017 0.00005 -0.00107 -0.00174 -0.00278 -1.09295 D15 -1.91884 -0.00011 -0.00405 -0.00175 -0.00582 -1.92466 D16 1.10232 -0.00013 -0.00528 0.00078 -0.00448 1.09784 D17 0.08158 0.00004 -0.00269 -0.00157 -0.00428 0.07730 D18 3.10274 0.00001 -0.00392 0.00096 -0.00294 3.09980 D19 3.08016 -0.00009 -0.00245 -0.00631 -0.00877 3.07139 D20 -0.03580 0.00003 0.00096 0.00173 0.00268 -0.03312 D21 -0.04706 -0.00010 -0.00310 -0.00576 -0.00885 -0.05591 D22 3.12017 0.00003 0.00032 0.00228 0.00260 3.12277 D23 -3.06176 0.00003 0.00177 0.00238 0.00415 -3.05761 D24 -0.01147 0.00004 0.00102 0.00280 0.00381 -0.00766 D25 0.06375 0.00003 0.00248 0.00176 0.00424 0.06799 D26 3.11404 0.00004 0.00174 0.00218 0.00391 3.11794 D27 -3.12995 0.00007 0.00228 0.00494 0.00720 -3.12275 D28 -0.01336 0.00008 0.00157 0.00558 0.00715 -0.00621 D29 -0.01380 -0.00006 -0.00111 -0.00306 -0.00418 -0.01798 D30 3.10279 -0.00005 -0.00182 -0.00241 -0.00423 3.09856 D31 3.07701 -0.00003 -0.00069 0.00135 0.00056 3.07757 D32 0.05762 0.00001 0.00057 -0.00135 -0.00076 0.05685 D33 -0.09058 -0.00002 -0.00146 0.00205 0.00051 -0.09007 D34 -3.10997 0.00002 -0.00020 -0.00066 -0.00081 -3.11079 D35 -3.05986 -0.00004 0.00023 -0.00440 -0.00423 -3.06409 D36 0.08715 0.00003 -0.00312 0.00048 -0.00268 0.08447 D37 -0.03994 -0.00007 -0.00090 -0.00201 -0.00292 -0.04286 D38 3.10706 -0.00000 -0.00424 0.00287 -0.00136 3.10570 D39 -0.02628 0.00005 -0.00078 0.00170 0.00091 -0.02537 D40 -3.07582 0.00004 -0.00007 0.00132 0.00124 -3.07458 D41 3.11002 -0.00002 0.00248 -0.00307 -0.00062 3.10941 D42 0.06048 -0.00003 0.00319 -0.00345 -0.00028 0.06020 D43 1.07809 -0.00015 -0.00494 0.00255 -0.00239 1.07571 D44 3.12110 0.00006 -0.00296 0.00216 -0.00080 3.12030 D45 -2.15777 -0.00013 -0.00572 0.00299 -0.00273 -2.16050 D46 -0.11477 0.00007 -0.00374 0.00260 -0.00114 -0.11591 D47 -1.97265 -0.00011 -0.00947 -0.00875 -0.01822 -1.99087 D48 2.25588 0.00000 -0.01158 -0.00765 -0.01923 2.23665 Item Value Threshold Converged? Maximum Force 0.000731 0.000450 NO RMS Force 0.000131 0.000300 YES Maximum Displacement 0.023105 0.001800 NO RMS Displacement 0.005452 0.001200 NO Predicted change in Energy=-6.674144D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.024579 -4.883005 2.031559 2 6 0 7.106282 -5.130027 3.532636 3 8 0 7.005640 -6.083832 1.317406 4 8 0 2.764855 -1.785994 0.601566 5 6 0 3.626883 -2.552765 0.922800 6 7 0 4.955495 -2.220996 0.650075 7 6 0 6.103015 -2.890120 0.982855 8 8 0 7.189822 -2.455057 0.685105 9 7 0 5.894914 -4.035955 1.685069 10 6 0 4.596948 -4.483836 1.953766 11 6 0 3.490009 -3.840567 1.608544 12 1 0 7.902364 -4.361172 1.699481 13 1 0 7.987515 -5.725443 3.746096 14 1 0 7.179468 -4.188901 4.066308 15 1 0 5.096748 -1.359820 0.168690 16 1 0 4.467166 -5.406148 2.479741 17 7 0 2.212367 -4.320566 1.987914 18 1 0 6.238096 -5.663075 3.903774 19 1 0 6.193298 -6.546038 1.482772 20 8 0 1.519518 -4.454902 0.720833 21 8 0 2.316166 -5.519558 2.572824 22 1 0 0.837851 -3.803222 0.792186 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523459 0.000000 3 O 1.397268 2.413941 0.000000 4 O 5.457252 6.214637 6.080139 0.000000 5 C 4.266580 5.055664 4.903076 1.197589 0.000000 6 N 3.643611 4.625744 4.423791 2.233938 1.396302 7 C 2.433238 3.539083 3.335634 3.536635 2.499729 8 O 2.781218 3.907797 3.688053 4.476043 3.572196 9 N 1.453854 2.465341 2.358535 4.004194 2.815115 10 C 2.461459 3.034328 2.960868 3.530348 2.394359 11 C 3.709286 4.294446 4.180510 2.400234 1.465406 12 H 1.073820 2.141341 1.979306 5.850722 4.706730 13 H 2.139296 1.084738 2.644060 7.258340 6.087036 14 H 2.155452 1.084381 3.343268 6.104687 5.017912 15 H 4.427148 5.437722 5.222998 2.409716 2.037720 16 H 2.648568 2.854779 2.873000 4.419380 3.357371 17 N 4.845166 5.195363 5.151132 2.941303 2.502089 18 H 2.175375 1.084265 2.730469 6.164393 5.037725 19 H 1.938524 2.653406 0.949147 5.932011 4.779779 20 O 5.675119 6.290784 5.753856 2.947568 2.846033 21 O 4.781980 4.900835 4.887295 4.245784 3.639014 22 H 6.401373 6.968766 6.596867 2.796227 3.059314 6 7 8 9 10 6 N 0.000000 7 C 1.369406 0.000000 8 O 2.246827 1.207926 0.000000 9 N 2.290808 1.359908 2.275072 0.000000 10 C 2.636022 2.398090 3.528235 1.399111 0.000000 11 C 2.385230 2.850023 4.057215 2.414042 1.326004 12 H 3.790204 2.432119 2.273752 2.033674 3.317451 13 H 5.573118 4.384735 4.549880 3.388389 4.031126 14 H 4.526517 3.514721 3.799849 2.709939 3.349512 15 H 0.996648 2.004309 2.418096 3.177763 3.632599 16 H 3.705582 3.353665 4.398013 2.132463 1.069651 17 N 3.704425 4.265380 5.472888 3.705924 2.390408 18 H 4.907090 4.029801 4.642951 2.772714 2.808292 19 H 4.575099 3.691043 4.285494 2.535837 2.650065 20 O 4.098937 4.850324 6.012737 4.499929 3.315349 21 O 4.641502 4.876697 6.058645 3.974497 2.580295 22 H 4.413459 5.347154 6.494347 5.140553 3.992908 11 12 13 14 15 11 C 0.000000 12 H 4.443892 0.000000 13 H 5.324420 2.461122 0.000000 14 H 4.446802 2.480751 1.765343 0.000000 15 H 3.287689 4.384395 6.341375 5.247175 0.000000 16 H 2.040800 3.674421 3.754792 3.369787 4.702138 17 N 1.416578 5.697448 6.198163 5.386015 4.516111 18 H 4.017661 3.053465 1.757617 1.756641 5.811328 19 H 3.826638 2.782356 3.002537 3.633632 5.461327 20 O 2.246837 6.458116 7.252688 6.580121 4.762455 21 O 2.264234 5.771499 5.795098 5.258598 5.551119 22 H 2.775208 7.144356 7.971086 7.147358 4.949461 16 17 18 19 20 16 H 0.000000 17 N 2.550392 0.000000 18 H 2.286936 4.656109 0.000000 19 H 2.296264 4.588650 2.577379 0.000000 20 O 3.561918 1.450372 5.818572 5.176642 0.000000 21 O 2.155998 1.338087 4.144100 4.156204 2.279915 22 H 4.311512 1.893860 6.504128 6.056464 0.945752 21 22 21 O 0.000000 22 H 2.881301 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.479008 -0.496737 -0.110704 2 6 0 2.821003 -1.371424 1.088833 3 8 0 2.568867 -1.213574 -1.306709 4 8 0 -2.423502 1.866351 0.292791 5 6 0 -1.401986 1.252891 0.172826 6 7 0 -0.207163 1.961056 0.029448 7 6 0 1.076660 1.490731 -0.047144 8 8 0 2.014200 2.245045 -0.152574 9 7 0 1.179099 0.137318 0.037285 10 6 0 0.034053 -0.662319 0.120728 11 6 0 -1.207509 -0.199553 0.172279 12 1 0 3.192738 0.301045 -0.195690 13 1 0 3.815200 -1.783913 0.954358 14 1 0 2.803574 -0.784722 2.000622 15 1 0 -0.292138 2.953832 0.007476 16 1 0 0.147507 -1.725463 0.152440 17 7 0 -2.310960 -1.072466 0.336924 18 1 0 2.124293 -2.194419 1.202426 19 1 0 1.883994 -1.869702 -1.343100 20 8 0 -3.146284 -0.770054 -0.809531 21 8 0 -1.912619 -2.348561 0.278769 22 1 0 -3.914666 -0.393206 -0.407010 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0228451 0.5474889 0.3932043 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.7878601626 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.89D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000526 -0.000066 0.000162 Ang= 0.06 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.418057609 A.U. after 11 cycles NFock= 11 Conv=0.81D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000133528 -0.000154934 -0.000120837 2 6 0.000040018 -0.000008602 0.000034230 3 8 -0.000099031 0.000026784 0.000138722 4 8 -0.000027378 -0.000026610 0.000068053 5 6 -0.000094364 0.000039045 0.000039402 6 7 0.000237872 -0.000147393 -0.000234565 7 6 -0.000163903 0.000058600 0.000146444 8 8 0.000078307 0.000078053 -0.000083645 9 7 0.000041355 0.000025456 0.000142000 10 6 -0.000118399 -0.000041122 -0.000091868 11 6 -0.000065505 -0.000123794 0.000183025 12 1 -0.000074861 0.000019532 -0.000053498 13 1 -0.000039762 0.000003868 0.000003136 14 1 -0.000001210 0.000013486 0.000004917 15 1 -0.000061443 0.000004771 0.000065061 16 1 0.000004852 0.000006565 0.000019075 17 7 0.000182699 0.000033036 -0.000173240 18 1 -0.000047898 -0.000007744 -0.000001679 19 1 0.000089250 0.000060951 -0.000062304 20 8 -0.000175987 0.000134653 0.000020128 21 8 0.000084700 0.000115138 -0.000007028 22 1 0.000077160 -0.000109740 -0.000035528 ------------------------------------------------------------------- Cartesian Forces: Max 0.000237872 RMS 0.000095503 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000263090 RMS 0.000057986 Search for a local minimum. Step number 31 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 27 28 29 30 31 DE= -7.49D-06 DEPred=-6.67D-06 R= 1.12D+00 TightC=F SS= 1.41D+00 RLast= 3.80D-02 DXNew= 3.5860D+00 1.1405D-01 Trust test= 1.12D+00 RLast= 3.80D-02 DXMaxT set to 2.13D+00 ITU= 1 1 1 1 1 -1 1 1 1 -1 1 1 1 1 1 1 1 1 0 1 ITU= 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00144 0.00212 0.00340 0.00471 0.00867 Eigenvalues --- 0.00945 0.01502 0.01893 0.01998 0.02180 Eigenvalues --- 0.02189 0.02735 0.03313 0.05491 0.05750 Eigenvalues --- 0.05837 0.06035 0.07807 0.08818 0.10084 Eigenvalues --- 0.14803 0.15902 0.16054 0.16121 0.16466 Eigenvalues --- 0.17224 0.17790 0.19044 0.19934 0.23312 Eigenvalues --- 0.24101 0.24620 0.25001 0.25712 0.26441 Eigenvalues --- 0.27861 0.30241 0.31065 0.33265 0.34761 Eigenvalues --- 0.34893 0.34986 0.35123 0.35339 0.37698 Eigenvalues --- 0.37993 0.40936 0.42560 0.43046 0.43581 Eigenvalues --- 0.45004 0.47952 0.48418 0.49898 0.50829 Eigenvalues --- 0.58855 0.67119 0.68349 0.89659 0.96216 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 31 30 29 28 27 RFO step: Lambda=-3.98684964D-06. DidBck=F Rises=F RFO-DIIS coefs: 2.03937 -0.90355 -0.25768 0.21498 -0.09311 Iteration 1 RMS(Cart)= 0.00404794 RMS(Int)= 0.00004022 Iteration 2 RMS(Cart)= 0.00002764 RMS(Int)= 0.00002767 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002767 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87892 0.00004 0.00030 -0.00011 0.00019 2.87911 R2 2.64045 -0.00011 0.00053 -0.00054 -0.00001 2.64045 R3 2.74739 0.00001 0.00018 -0.00031 -0.00013 2.74726 R4 2.02923 -0.00004 0.00045 -0.00061 -0.00016 2.02907 R5 2.04986 -0.00003 0.00007 -0.00021 -0.00014 2.04972 R6 2.04918 0.00001 0.00020 -0.00012 0.00008 2.04926 R7 2.04896 0.00004 0.00027 -0.00019 0.00008 2.04905 R8 1.79363 -0.00012 -0.00037 0.00022 -0.00016 1.79347 R9 2.26312 -0.00002 -0.00026 -0.00003 -0.00029 2.26283 R10 2.63863 0.00008 0.00051 0.00000 0.00050 2.63912 R11 2.76922 -0.00008 0.00036 -0.00024 0.00011 2.76933 R12 2.58780 -0.00008 -0.00006 -0.00020 -0.00026 2.58754 R13 1.88339 -0.00004 0.00019 -0.00027 -0.00009 1.88330 R14 2.28265 0.00012 -0.00006 0.00016 0.00010 2.28275 R15 2.56985 0.00008 0.00003 0.00034 0.00039 2.57024 R16 2.64394 0.00005 0.00059 -0.00023 0.00037 2.64431 R17 2.50578 -0.00007 0.00004 -0.00016 -0.00011 2.50567 R18 2.02135 0.00000 -0.00034 0.00031 -0.00002 2.02132 R19 2.67694 -0.00026 -0.00147 0.00026 -0.00121 2.67574 R20 2.74081 0.00006 -0.00046 -0.00003 -0.00048 2.74032 R21 2.52862 -0.00010 0.00068 -0.00065 0.00003 2.52865 R22 1.78721 -0.00013 -0.00000 -0.00044 -0.00044 1.78677 A1 1.94440 0.00001 -0.00004 -0.00015 -0.00020 1.94420 A2 1.95084 -0.00009 0.00024 -0.00065 -0.00041 1.95043 A3 1.91735 0.00007 -0.00050 0.00127 0.00078 1.91813 A4 1.94805 0.00004 0.00031 -0.00025 0.00004 1.94810 A5 1.84487 -0.00002 0.00072 -0.00052 0.00020 1.84507 A6 1.85285 -0.00001 -0.00075 0.00039 -0.00036 1.85250 A7 1.90336 0.00003 0.00088 -0.00076 0.00012 1.90348 A8 1.92603 -0.00000 -0.00002 0.00001 -0.00002 1.92601 A9 1.95416 -0.00004 -0.00095 0.00084 -0.00012 1.95404 A10 1.90150 -0.00000 0.00008 0.00007 0.00015 1.90165 A11 1.88944 0.00000 0.00017 -0.00020 -0.00003 1.88941 A12 1.88836 0.00001 -0.00013 0.00004 -0.00009 1.88827 A13 1.91884 0.00003 0.00173 -0.00164 0.00009 1.91893 A14 2.07189 0.00008 -0.00023 0.00043 0.00022 2.07211 A15 2.24075 -0.00006 0.00040 -0.00031 0.00010 2.24086 A16 1.97043 -0.00002 -0.00017 -0.00012 -0.00031 1.97012 A17 2.25723 0.00000 -0.00008 0.00015 0.00000 2.25723 A18 2.02029 -0.00006 -0.00031 -0.00030 -0.00065 2.01963 A19 2.00514 0.00005 0.00023 0.00013 0.00032 2.00546 A20 2.11537 -0.00007 0.00031 -0.00067 -0.00037 2.11501 A21 1.99211 -0.00000 0.00003 -0.00002 0.00003 1.99214 A22 2.17541 0.00007 -0.00034 0.00073 0.00037 2.17578 A23 2.08871 0.00007 -0.00087 0.00142 0.00038 2.08909 A24 2.08124 -0.00004 0.00069 -0.00122 -0.00070 2.08054 A25 2.10698 -0.00003 0.00018 -0.00031 -0.00023 2.10675 A26 2.17627 -0.00001 -0.00036 0.00033 -0.00001 2.17626 A27 2.07490 -0.00000 -0.00020 -0.00023 -0.00045 2.07445 A28 2.03200 0.00001 0.00055 -0.00009 0.00044 2.03245 A29 2.06029 0.00005 0.00012 -0.00005 0.00007 2.06036 A30 2.10289 -0.00007 0.00006 -0.00022 -0.00015 2.10274 A31 2.11626 0.00002 -0.00019 0.00027 0.00008 2.11635 A32 1.80110 0.00019 0.00015 -0.00007 0.00008 1.80118 A33 1.92914 -0.00018 -0.00021 -0.00001 -0.00023 1.92891 A34 1.91341 0.00005 0.00073 0.00014 0.00088 1.91428 A35 1.78706 0.00006 0.00048 -0.00039 0.00009 1.78715 D1 0.99483 0.00000 -0.00228 0.00017 -0.00211 0.99271 D2 3.08293 0.00002 -0.00164 -0.00022 -0.00187 3.08106 D3 -1.09575 0.00000 -0.00248 0.00040 -0.00208 -1.09782 D4 -3.09556 -0.00001 -0.00174 -0.00079 -0.00252 -3.09808 D5 -1.00746 0.00001 -0.00110 -0.00118 -0.00228 -1.00974 D6 1.09705 -0.00001 -0.00194 -0.00056 -0.00249 1.09457 D7 -1.04347 -0.00003 -0.00284 0.00012 -0.00272 -1.04620 D8 1.04463 -0.00001 -0.00220 -0.00027 -0.00248 1.04215 D9 -3.13405 -0.00003 -0.00304 0.00035 -0.00269 -3.13673 D10 1.18516 -0.00003 0.00260 0.00437 0.00697 1.19213 D11 -1.00919 0.00005 0.00209 0.00554 0.00763 -1.00155 D12 -3.01607 0.00005 0.00242 0.00550 0.00792 -3.00815 D13 2.16773 0.00003 0.00501 0.00008 0.00510 2.17284 D14 -1.09295 0.00001 0.00108 -0.00106 0.00001 -1.09293 D15 -1.92466 0.00000 0.00537 -0.00082 0.00456 -1.92011 D16 1.09784 -0.00002 0.00144 -0.00196 -0.00053 1.09731 D17 0.07730 -0.00000 0.00595 -0.00134 0.00461 0.08191 D18 3.09980 -0.00002 0.00202 -0.00249 -0.00048 3.09933 D19 3.07139 -0.00006 -0.00781 -0.00044 -0.00824 3.06315 D20 -0.03312 0.00001 0.00148 0.00055 0.00202 -0.03109 D21 -0.05591 -0.00005 -0.00751 -0.00117 -0.00868 -0.06459 D22 3.12277 0.00001 0.00177 -0.00018 0.00159 3.12435 D23 -3.05761 0.00002 0.00465 -0.00010 0.00455 -3.05306 D24 -0.00766 0.00002 0.00461 -0.00009 0.00452 -0.00314 D25 0.06799 0.00002 0.00431 0.00073 0.00504 0.07303 D26 3.11794 0.00002 0.00427 0.00074 0.00501 3.12296 D27 -3.12275 0.00002 0.00486 -0.00063 0.00423 -3.11852 D28 -0.00621 0.00005 0.00469 0.00112 0.00582 -0.00040 D29 -0.01798 -0.00005 -0.00437 -0.00161 -0.00598 -0.02396 D30 3.09856 -0.00002 -0.00453 0.00014 -0.00440 3.09416 D31 3.07757 -0.00003 -0.00262 -0.00186 -0.00445 3.07312 D32 0.05685 -0.00001 0.00140 -0.00064 0.00075 0.05760 D33 -0.09007 0.00000 -0.00278 -0.00006 -0.00282 -0.09289 D34 -3.11079 0.00002 0.00124 0.00116 0.00238 -3.10841 D35 -3.06409 -0.00001 0.00008 0.00143 0.00151 -3.06258 D36 0.08447 0.00002 0.00324 0.00009 0.00333 0.08781 D37 -0.04286 -0.00002 -0.00398 0.00039 -0.00358 -0.04645 D38 3.10570 0.00000 -0.00082 -0.00095 -0.00176 3.10394 D39 -0.02537 0.00002 0.00076 -0.00044 0.00033 -0.02503 D40 -3.07458 0.00002 0.00078 -0.00042 0.00037 -3.07421 D41 3.10941 -0.00001 -0.00233 0.00087 -0.00145 3.10796 D42 0.06020 -0.00000 -0.00231 0.00089 -0.00141 0.05878 D43 1.07571 -0.00003 -0.00113 0.00148 0.00035 1.07606 D44 3.12030 0.00005 -0.00029 0.00160 0.00131 3.12161 D45 -2.16050 -0.00003 -0.00115 0.00147 0.00033 -2.16018 D46 -0.11591 0.00005 -0.00031 0.00159 0.00129 -0.11462 D47 -1.99087 -0.00005 -0.01798 -0.00038 -0.01836 -2.00923 D48 2.23665 0.00003 -0.01815 -0.00039 -0.01854 2.21811 Item Value Threshold Converged? Maximum Force 0.000263 0.000450 YES RMS Force 0.000058 0.000300 YES Maximum Displacement 0.022019 0.001800 NO RMS Displacement 0.004050 0.001200 NO Predicted change in Energy=-1.834819D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.024994 -4.882200 2.032913 2 6 0 7.104975 -5.131508 3.533806 3 8 0 7.005586 -6.082104 1.317231 4 8 0 2.766461 -1.783190 0.604858 5 6 0 3.627978 -2.551627 0.922901 6 7 0 4.956613 -2.222698 0.645546 7 6 0 6.104141 -2.889819 0.981733 8 8 0 7.190769 -2.455146 0.682538 9 7 0 5.896093 -4.033982 1.687083 10 6 0 4.597871 -4.482505 1.954502 11 6 0 3.491056 -3.839563 1.608509 12 1 0 7.902979 -4.360259 1.701813 13 1 0 7.984147 -5.729871 3.747141 14 1 0 7.180464 -4.191273 4.068809 15 1 0 5.097559 -1.360863 0.165350 16 1 0 4.468456 -5.404238 2.481556 17 7 0 2.213797 -4.319615 1.986717 18 1 0 6.234849 -5.662438 3.903560 19 1 0 6.190113 -6.540818 1.476318 20 8 0 1.522130 -4.454521 0.719344 21 8 0 2.317852 -5.517886 2.573091 22 1 0 0.830119 -3.814874 0.796680 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523558 0.000000 3 O 1.397264 2.413858 0.000000 4 O 5.456950 6.213909 6.079335 0.000000 5 C 4.266546 5.055899 4.901836 1.197438 0.000000 6 N 3.643616 4.628031 4.420912 2.234186 1.396564 7 C 2.433625 3.541174 3.334043 3.536490 2.499844 8 O 2.782371 3.911522 3.686727 4.475718 3.572193 9 N 1.453785 2.465024 2.358510 4.003981 2.815261 10 C 2.461063 3.033311 2.960054 3.530142 2.394406 11 C 3.708899 4.293752 4.179205 2.400213 1.465464 12 H 1.073735 2.141923 1.979386 5.850505 4.706750 13 H 2.139415 1.084663 2.643126 7.257718 6.087181 14 H 2.155556 1.084421 3.343202 6.105836 5.020491 15 H 4.427484 5.440035 5.220873 2.409469 2.037516 16 H 2.647583 2.851814 2.872662 4.419363 3.357558 17 N 4.844198 5.193869 5.149351 2.940820 2.501478 18 H 2.175413 1.084308 2.731163 6.161145 5.035598 19 H 1.938515 2.656385 0.949064 5.925864 4.773307 20 O 5.673614 6.288693 5.751068 2.949148 2.845529 21 O 4.780490 4.897837 4.885732 4.245367 3.638440 22 H 6.406554 6.971312 6.599068 2.813176 3.072416 6 7 8 9 10 6 N 0.000000 7 C 1.369267 0.000000 8 O 2.246520 1.207981 0.000000 9 N 2.290888 1.360114 2.275526 0.000000 10 C 2.636055 2.398286 3.528625 1.399309 0.000000 11 C 2.385248 2.850101 4.057328 2.414162 1.325943 12 H 3.790243 2.432392 2.274999 2.033290 3.317007 13 H 5.575492 4.387232 4.554675 3.388193 4.029435 14 H 4.532055 3.518848 3.805400 2.710528 3.350358 15 H 0.996601 2.004344 2.417946 3.177876 3.632547 16 H 3.705593 3.353690 4.398249 2.132355 1.069638 17 N 3.703895 4.264866 5.472419 3.705492 2.389849 18 H 4.907173 4.030084 4.644942 2.771172 2.805488 19 H 4.567041 3.685349 4.280668 2.532805 2.645855 20 O 4.096603 4.848913 6.011017 4.499436 3.314601 21 O 4.640771 4.875976 6.058043 3.973763 2.579371 22 H 4.425587 5.357730 6.505363 5.148293 3.997779 11 12 13 14 15 11 C 0.000000 12 H 4.443524 0.000000 13 H 5.323052 2.462883 0.000000 14 H 4.448428 2.480575 1.765406 0.000000 15 H 3.287478 4.384915 6.344277 5.252305 0.000000 16 H 2.041012 3.673397 3.750710 3.368329 4.702070 17 N 1.415938 5.696457 6.195552 5.386962 4.515271 18 H 4.014789 3.053854 1.757572 1.756651 5.811298 19 H 3.820886 2.782013 3.005467 3.636230 5.453829 20 O 2.246209 6.456731 7.249258 6.580650 4.760391 21 O 2.263536 5.769998 5.790530 5.257573 5.550210 22 H 2.782132 7.151368 7.971985 7.153697 4.963042 16 17 18 19 20 16 H 0.000000 17 N 2.550443 0.000000 18 H 2.282302 4.652560 0.000000 19 H 2.294869 4.583159 2.581677 0.000000 20 O 3.562049 1.450116 5.814466 5.168725 0.000000 21 O 2.155549 1.338102 4.139312 4.152555 2.280416 22 H 4.313047 1.893546 6.502099 6.051629 0.945519 21 22 21 O 0.000000 22 H 2.875628 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.478866 -0.497023 -0.109469 2 6 0 2.819597 -1.374716 1.088357 3 8 0 2.568030 -1.211697 -1.306816 4 8 0 -2.422850 1.866356 0.297870 5 6 0 -1.401925 1.252985 0.173995 6 7 0 -0.207323 1.961034 0.025720 7 6 0 1.076707 1.491091 -0.047160 8 8 0 2.013849 2.245860 -0.153499 9 7 0 1.179509 0.137668 0.039955 10 6 0 0.034229 -0.662186 0.121403 11 6 0 -1.207324 -0.199500 0.172344 12 1 0 3.192828 0.300591 -0.193002 13 1 0 3.812346 -1.789953 0.952258 14 1 0 2.804644 -0.789457 2.001164 15 1 0 -0.292655 2.953775 0.005753 16 1 0 0.148214 -1.725245 0.153645 17 7 0 -2.310471 -1.072077 0.335303 18 1 0 2.120510 -2.195846 1.201256 19 1 0 1.878654 -1.862725 -1.347389 20 8 0 -3.144557 -0.769118 -0.811585 21 8 0 -1.911645 -2.348074 0.277967 22 1 0 -3.920071 -0.408034 -0.408840 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0225370 0.5477414 0.3933420 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.8361703349 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.89D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000250 0.000003 0.000016 Ang= -0.03 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -769.418059311 A.U. after 11 cycles NFock= 11 Conv=0.56D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000009996 -0.000079410 -0.000009832 2 6 0.000007113 0.000040043 -0.000000940 3 8 -0.000008612 0.000053087 0.000018906 4 8 -0.000020093 0.000032918 0.000002038 5 6 0.000073127 -0.000071338 -0.000009260 6 7 -0.000080926 0.000011540 0.000057693 7 6 -0.000042491 -0.000105272 -0.000153473 8 8 0.000045241 -0.000034949 0.000121694 9 7 -0.000072413 0.000085911 -0.000011307 10 6 0.000058165 0.000026211 0.000025660 11 6 0.000016835 0.000074058 -0.000010042 12 1 0.000061485 0.000006587 -0.000003864 13 1 0.000012273 -0.000004998 0.000007862 14 1 0.000003255 -0.000002463 -0.000005264 15 1 0.000016902 0.000010757 0.000001148 16 1 -0.000041017 0.000027127 -0.000023335 17 7 0.000029795 -0.000049490 0.000037241 18 1 0.000016422 0.000001561 -0.000021973 19 1 0.000024770 -0.000002523 -0.000002644 20 8 -0.000006048 -0.000047694 -0.000037947 21 8 -0.000061346 -0.000013972 0.000015139 22 1 -0.000042434 0.000042310 0.000002499 ------------------------------------------------------------------- Cartesian Forces: Max 0.000153473 RMS 0.000045465 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000157345 RMS 0.000040625 Search for a local minimum. Step number 32 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 27 28 29 30 31 32 DE= -1.70D-06 DEPred=-1.83D-06 R= 9.28D-01 TightC=F SS= 1.41D+00 RLast= 3.74D-02 DXNew= 3.5860D+00 1.1209D-01 Trust test= 9.28D-01 RLast= 3.74D-02 DXMaxT set to 2.13D+00 ITU= 1 1 1 1 1 1 -1 1 1 1 -1 1 1 1 1 1 1 1 1 0 ITU= 1 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00137 0.00209 0.00337 0.00461 0.00832 Eigenvalues --- 0.00883 0.01506 0.01889 0.01993 0.02170 Eigenvalues --- 0.02243 0.02755 0.03582 0.05504 0.05736 Eigenvalues --- 0.05843 0.06016 0.07768 0.08752 0.09955 Eigenvalues --- 0.15112 0.15898 0.16061 0.16137 0.16453 Eigenvalues --- 0.17205 0.17798 0.19046 0.19986 0.23318 Eigenvalues --- 0.24100 0.24632 0.24927 0.25724 0.26478 Eigenvalues --- 0.28951 0.30281 0.31070 0.33166 0.34763 Eigenvalues --- 0.34904 0.34976 0.35158 0.35382 0.37967 Eigenvalues --- 0.38532 0.41077 0.41891 0.43091 0.43688 Eigenvalues --- 0.45017 0.47901 0.48279 0.50756 0.50920 Eigenvalues --- 0.58917 0.66654 0.68603 0.89654 0.96101 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 32 31 30 29 28 27 RFO step: Lambda=-1.04834914D-06. DidBck=T Rises=F RFO-DIIS coefs: 0.78947 0.44795 -0.22198 -0.05822 0.04975 RFO-DIIS coefs: -0.00698 Iteration 1 RMS(Cart)= 0.00223742 RMS(Int)= 0.00000389 Iteration 2 RMS(Cart)= 0.00000274 RMS(Int)= 0.00000357 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000357 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87911 -0.00002 0.00001 -0.00005 -0.00004 2.87907 R2 2.64045 -0.00005 -0.00001 -0.00016 -0.00017 2.64027 R3 2.74726 0.00009 0.00021 0.00004 0.00024 2.74750 R4 2.02907 0.00005 0.00015 -0.00004 0.00011 2.02917 R5 2.04972 0.00001 0.00004 -0.00001 0.00002 2.04974 R6 2.04926 -0.00000 0.00002 -0.00003 -0.00001 2.04925 R7 2.04905 -0.00002 0.00010 -0.00010 -0.00001 2.04904 R8 1.79347 -0.00002 -0.00010 0.00010 0.00000 1.79348 R9 2.26283 0.00004 0.00004 0.00002 0.00005 2.26288 R10 2.63912 -0.00004 -0.00001 -0.00004 -0.00005 2.63908 R11 2.76933 -0.00002 0.00002 -0.00007 -0.00005 2.76928 R12 2.58754 0.00001 0.00005 -0.00004 0.00001 2.58755 R13 1.88330 0.00001 0.00005 -0.00003 0.00002 1.88332 R14 2.28275 -0.00000 0.00002 0.00002 0.00004 2.28280 R15 2.57024 -0.00013 -0.00020 -0.00002 -0.00022 2.57002 R16 2.64431 0.00002 0.00004 -0.00008 -0.00004 2.64427 R17 2.50567 0.00004 0.00004 0.00006 0.00010 2.50577 R18 2.02132 -0.00003 -0.00010 0.00008 -0.00002 2.02130 R19 2.67574 0.00010 -0.00005 0.00014 0.00009 2.67582 R20 2.74032 0.00005 0.00008 -0.00001 0.00008 2.74040 R21 2.52865 0.00001 0.00009 -0.00012 -0.00003 2.52861 R22 1.78677 0.00006 0.00010 0.00004 0.00014 1.78691 A1 1.94420 0.00002 -0.00001 0.00020 0.00019 1.94440 A2 1.95043 0.00000 -0.00004 -0.00006 -0.00010 1.95033 A3 1.91813 -0.00003 -0.00022 0.00010 -0.00012 1.91801 A4 1.94810 0.00000 0.00005 -0.00006 -0.00001 1.94809 A5 1.84507 -0.00001 0.00033 -0.00030 0.00002 1.84510 A6 1.85250 0.00001 -0.00009 0.00010 0.00001 1.85251 A7 1.90348 0.00001 0.00034 -0.00021 0.00014 1.90361 A8 1.92601 -0.00000 -0.00005 0.00001 -0.00004 1.92597 A9 1.95404 -0.00002 -0.00038 0.00019 -0.00019 1.95385 A10 1.90165 -0.00000 0.00003 -0.00005 -0.00003 1.90162 A11 1.88941 0.00000 0.00014 -0.00007 0.00006 1.88948 A12 1.88827 0.00001 -0.00006 0.00013 0.00006 1.88834 A13 1.91893 0.00002 0.00051 -0.00032 0.00018 1.91911 A14 2.07211 -0.00002 -0.00007 -0.00001 -0.00009 2.07202 A15 2.24086 -0.00000 -0.00001 0.00003 0.00002 2.24088 A16 1.97012 0.00002 0.00008 -0.00002 0.00006 1.97018 A17 2.25723 -0.00001 -0.00009 0.00005 -0.00005 2.25719 A18 2.01963 0.00002 0.00007 -0.00002 0.00004 2.01967 A19 2.00546 -0.00001 0.00003 -0.00004 -0.00002 2.00544 A20 2.11501 0.00010 0.00015 0.00010 0.00025 2.11526 A21 1.99214 0.00002 0.00001 0.00003 0.00003 1.99217 A22 2.17578 -0.00013 -0.00016 -0.00016 -0.00032 2.17546 A23 2.08909 -0.00016 -0.00031 -0.00005 -0.00034 2.08875 A24 2.08054 0.00016 0.00034 0.00016 0.00052 2.08106 A25 2.10675 0.00000 0.00018 -0.00011 0.00008 2.10683 A26 2.17626 -0.00000 -0.00014 0.00011 -0.00004 2.17622 A27 2.07445 0.00005 0.00002 0.00020 0.00022 2.07466 A28 2.03245 -0.00004 0.00013 -0.00030 -0.00018 2.03227 A29 2.06036 -0.00003 0.00001 -0.00006 -0.00005 2.06031 A30 2.10274 -0.00001 -0.00003 0.00008 0.00005 2.10279 A31 2.11635 0.00004 0.00002 -0.00004 -0.00003 2.11632 A32 1.80118 0.00003 0.00020 0.00010 0.00031 1.80149 A33 1.92891 0.00009 -0.00003 0.00039 0.00036 1.92927 A34 1.91428 -0.00003 -0.00007 0.00016 0.00009 1.91437 A35 1.78715 0.00000 0.00013 -0.00012 0.00001 1.78716 D1 0.99271 -0.00001 -0.00030 0.00021 -0.00009 0.99262 D2 3.08106 -0.00001 -0.00008 0.00002 -0.00006 3.08099 D3 -1.09782 -0.00001 -0.00045 0.00032 -0.00014 -1.09796 D4 -3.09808 0.00001 -0.00028 0.00025 -0.00004 -3.09812 D5 -1.00974 0.00001 -0.00007 0.00006 -0.00001 -1.00975 D6 1.09457 0.00001 -0.00044 0.00035 -0.00008 1.09448 D7 -1.04620 0.00000 -0.00056 0.00040 -0.00016 -1.04636 D8 1.04215 0.00001 -0.00035 0.00021 -0.00014 1.04201 D9 -3.13673 0.00001 -0.00072 0.00051 -0.00021 -3.13694 D10 1.19213 0.00001 -0.00202 0.00070 -0.00132 1.19081 D11 -1.00155 -0.00001 -0.00199 0.00067 -0.00132 -1.00288 D12 -3.00815 -0.00002 -0.00209 0.00075 -0.00134 -3.00949 D13 2.17284 -0.00003 -0.00363 -0.00030 -0.00393 2.16890 D14 -1.09293 -0.00002 -0.00130 -0.00030 -0.00160 -1.09453 D15 -1.92011 0.00000 -0.00365 -0.00012 -0.00377 -1.92387 D16 1.09731 0.00001 -0.00131 -0.00011 -0.00143 1.09588 D17 0.08191 -0.00001 -0.00329 -0.00045 -0.00374 0.07817 D18 3.09933 0.00000 -0.00095 -0.00045 -0.00140 3.09793 D19 3.06315 0.00000 -0.00028 -0.00018 -0.00046 3.06268 D20 -0.03109 0.00000 0.00030 -0.00001 0.00028 -0.03081 D21 -0.06459 0.00002 -0.00019 0.00039 0.00020 -0.06439 D22 3.12435 0.00002 0.00039 0.00056 0.00094 3.12530 D23 -3.05306 0.00002 -0.00024 0.00078 0.00054 -3.05252 D24 -0.00314 0.00001 -0.00025 0.00050 0.00025 -0.00289 D25 0.07303 -0.00000 -0.00034 0.00014 -0.00020 0.07283 D26 3.12296 -0.00000 -0.00035 -0.00014 -0.00049 3.12246 D27 -3.11852 0.00004 0.00095 0.00076 0.00172 -3.11680 D28 -0.00040 -0.00003 0.00073 -0.00060 0.00014 -0.00026 D29 -0.02396 0.00004 0.00038 0.00060 0.00098 -0.02298 D30 3.09416 -0.00003 0.00016 -0.00076 -0.00060 3.09356 D31 3.07312 0.00004 0.00163 0.00030 0.00193 3.07505 D32 0.05760 0.00002 -0.00074 0.00027 -0.00047 0.05713 D33 -0.09289 -0.00003 0.00140 -0.00111 0.00030 -0.09259 D34 -3.10841 -0.00005 -0.00096 -0.00114 -0.00211 -3.11051 D35 -3.06258 -0.00000 -0.00205 0.00020 -0.00183 -3.06441 D36 0.08781 -0.00000 -0.00184 -0.00016 -0.00200 0.08581 D37 -0.04645 -0.00000 0.00028 0.00022 0.00050 -0.04595 D38 3.10394 -0.00001 0.00049 -0.00015 0.00034 3.10427 D39 -0.02503 -0.00000 0.00030 -0.00043 -0.00012 -0.02516 D40 -3.07421 0.00000 0.00032 -0.00015 0.00016 -3.07405 D41 3.10796 -0.00000 0.00010 -0.00006 0.00004 3.10799 D42 0.05878 0.00000 0.00011 0.00021 0.00032 0.05911 D43 1.07606 -0.00001 -0.00014 -0.00043 -0.00058 1.07548 D44 3.12161 0.00001 -0.00013 -0.00001 -0.00014 3.12147 D45 -2.16018 -0.00002 -0.00016 -0.00072 -0.00088 -2.16105 D46 -0.11462 0.00000 -0.00014 -0.00030 -0.00044 -0.11507 D47 -2.00923 0.00006 0.00064 0.00049 0.00113 -2.00810 D48 2.21811 -0.00005 0.00060 -0.00009 0.00051 2.21862 Item Value Threshold Converged? Maximum Force 0.000157 0.000450 YES RMS Force 0.000041 0.000300 YES Maximum Displacement 0.006862 0.001800 NO RMS Displacement 0.002237 0.001200 NO Predicted change in Energy=-5.167342D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.025081 -4.883084 2.032238 2 6 0 7.106081 -5.129451 3.533540 3 8 0 7.005446 -6.084167 1.318720 4 8 0 2.766715 -1.782420 0.606794 5 6 0 3.627969 -2.551758 0.923470 6 7 0 4.956659 -2.222756 0.646588 7 6 0 6.104006 -2.890607 0.981964 8 8 0 7.190977 -2.455163 0.685057 9 7 0 5.895685 -4.035631 1.685607 10 6 0 4.597404 -4.484066 1.952787 11 6 0 3.490688 -3.840403 1.607616 12 1 0 7.902801 -4.361516 1.699670 13 1 0 7.985443 -5.727297 3.747607 14 1 0 7.181785 -4.188147 4.066618 15 1 0 5.097886 -1.360001 0.168105 16 1 0 4.467599 -5.406344 2.478766 17 7 0 2.213325 -4.320390 1.985730 18 1 0 6.236164 -5.659722 3.904718 19 1 0 6.190709 -6.543443 1.479949 20 8 0 1.520506 -4.452920 0.718690 21 8 0 2.316601 -5.519460 2.570564 22 1 0 0.829470 -3.812255 0.797201 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523537 0.000000 3 O 1.397173 2.413926 0.000000 4 O 5.457077 6.212774 6.081012 0.000000 5 C 4.266710 5.055119 4.903212 1.197466 0.000000 6 N 3.643589 4.626379 4.422645 2.234130 1.396540 7 C 2.433397 3.539366 3.335390 3.536431 2.499799 8 O 2.781586 3.908053 3.688580 4.475802 3.572282 9 N 1.453914 2.465027 2.358532 4.003905 2.815185 10 C 2.461532 3.034594 2.959904 3.530157 2.394392 11 C 3.709369 4.294402 4.179888 2.400224 1.465438 12 H 1.073791 2.141860 1.979367 5.850256 4.706580 13 H 2.139505 1.084676 2.643339 7.256851 6.086656 14 H 2.155504 1.084415 3.343192 6.103339 5.018641 15 H 4.427323 5.437624 5.223068 2.409408 2.037527 16 H 2.648377 2.854961 2.871553 4.419289 3.357467 17 N 4.844768 5.195128 5.149780 2.940917 2.501534 18 H 2.175256 1.084305 2.731179 6.160102 5.034874 19 H 1.938553 2.656033 0.949066 5.929037 4.776071 20 O 5.675455 6.291242 5.753744 2.949090 2.845656 21 O 4.781689 4.900872 4.885824 4.245523 3.638662 22 H 6.407619 6.972690 6.601230 2.812366 3.071871 6 7 8 9 10 6 N 0.000000 7 C 1.369272 0.000000 8 O 2.246702 1.208003 0.000000 9 N 2.290818 1.359996 2.275249 0.000000 10 C 2.636047 2.398219 3.528485 1.399290 0.000000 11 C 2.385252 2.850084 4.057356 2.414168 1.325996 12 H 3.789859 2.431942 2.273833 2.033448 3.317338 13 H 5.574196 4.385818 4.551621 3.388313 4.030609 14 H 4.528858 3.515723 3.799773 2.710448 3.351846 15 H 0.996613 2.004345 2.418191 3.177781 3.632540 16 H 3.705575 3.353681 4.398141 2.132460 1.069626 17 N 3.703951 4.264882 5.472462 3.705528 2.389918 18 H 4.905637 4.028394 4.641884 2.770930 2.806730 19 H 4.570088 3.687644 4.283272 2.533467 2.646361 20 O 4.097070 4.849599 6.012189 4.500139 3.315308 21 O 4.641104 4.876367 6.058432 3.974260 2.579875 22 H 4.425255 5.357639 6.505616 5.148368 3.998004 11 12 13 14 15 11 C 0.000000 12 H 4.443734 0.000000 13 H 5.323791 2.462973 0.000000 14 H 4.448798 2.480396 1.765395 0.000000 15 H 3.287502 4.384328 6.342247 5.247805 0.000000 16 H 2.040938 3.674135 3.753424 3.372252 4.702053 17 N 1.415985 5.696811 6.196849 5.388244 4.515346 18 H 4.015499 3.053728 1.757620 1.756685 5.809092 19 H 3.822674 2.782147 3.004902 3.636001 5.457404 20 O 2.246550 6.457892 7.252157 6.582462 4.760981 21 O 2.263842 5.771041 5.793478 5.261234 5.550536 22 H 2.782022 7.151793 7.973721 7.154180 4.962729 16 17 18 19 20 16 H 0.000000 17 N 2.550320 0.000000 18 H 2.285905 4.653983 0.000000 19 H 2.293411 4.584469 2.581189 0.000000 20 O 3.562617 1.450156 5.817609 5.173064 0.000000 21 O 2.155925 1.338083 4.142778 4.152913 2.280507 22 H 4.313324 1.893636 6.504009 6.055445 0.945593 21 22 21 O 0.000000 22 H 2.875922 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.479152 -0.497212 -0.110080 2 6 0 2.820568 -1.371068 1.090327 3 8 0 2.568497 -1.215179 -1.305334 4 8 0 -2.422309 1.866786 0.298429 5 6 0 -1.401682 1.253087 0.173459 6 7 0 -0.207001 1.960864 0.024759 7 6 0 1.076864 1.490564 -0.048827 8 8 0 2.014512 2.244945 -0.153699 9 7 0 1.179338 0.137203 0.037787 10 6 0 0.033974 -0.662416 0.120034 11 6 0 -1.207492 -0.199427 0.171695 12 1 0 3.192684 0.300610 -0.195979 13 1 0 3.813508 -1.786271 0.955427 14 1 0 2.805446 -0.783017 2.001329 15 1 0 -0.291992 2.953663 0.005696 16 1 0 0.147543 -1.725510 0.152183 17 7 0 -2.310731 -1.071779 0.335640 18 1 0 2.121802 -2.192122 1.205718 19 1 0 1.880256 -1.867550 -1.343565 20 8 0 -3.146447 -0.768389 -0.809998 21 8 0 -1.912730 -2.347995 0.277891 22 1 0 -3.920981 -0.406332 -0.406070 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0228380 0.5475212 0.3932449 Standard basis: 6-31G(d) (6D, 7F) There are 226 symmetry adapted cartesian basis functions of A symmetry. There are 226 symmetry adapted basis functions of A symmetry. 226 basis functions, 424 primitive gaussians, 226 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 952.8004802280 Hartrees. NAtoms= 22 NActive= 22 NUniq= 22 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= 226 RedAO= T EigKep= 8.89D-04 NBF= 226 NBsUse= 226 1.00D-06 EigRej= -1.00D+00 NBFU= 226 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000323 -0.000027 0.000065 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) = -769.418059667 A.U. after 9 cycles NFock= 9 Conv=0.87D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000005263 -0.000037534 -0.000001487 2 6 -0.000002327 0.000014739 -0.000007773 3 8 -0.000014451 0.000009123 0.000012612 4 8 -0.000009946 -0.000011437 -0.000017744 5 6 0.000031971 0.000017212 0.000049898 6 7 -0.000018002 -0.000024274 -0.000048778 7 6 -0.000019054 0.000051117 0.000121220 8 8 0.000008027 -0.000015766 -0.000047498 9 7 -0.000031348 0.000001192 -0.000037262 10 6 0.000031595 0.000020061 -0.000002333 11 6 0.000000659 -0.000034697 -0.000020732 12 1 0.000001047 -0.000011752 0.000001829 13 1 0.000005376 -0.000005468 0.000004018 14 1 -0.000001039 -0.000002393 -0.000005308 15 1 0.000004192 0.000000315 0.000001153 16 1 -0.000016296 -0.000002574 -0.000001467 17 7 -0.000016697 0.000031703 0.000030492 18 1 -0.000003244 -0.000001989 -0.000005639 19 1 0.000031725 0.000011557 -0.000002954 20 8 -0.000006366 -0.000002842 -0.000007812 21 8 0.000006720 0.000006688 -0.000017389 22 1 0.000022722 -0.000012981 0.000002955 ------------------------------------------------------------------- Cartesian Forces: Max 0.000121220 RMS 0.000024808 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000033331 RMS 0.000011633 Search for a local minimum. Step number 33 out of a maximum of 115 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 27 28 29 30 31 32 33 DE= -3.55D-07 DEPred=-5.17D-07 R= 6.88D-01 Trust test= 6.88D-01 RLast= 9.07D-03 DXMaxT set to 2.13D+00 ITU= 0 1 1 1 1 1 1 -1 1 1 1 -1 1 1 1 1 1 1 1 1 ITU= 0 1 1 1 0 1 -1 1 1 1 0 1 0 Eigenvalues --- 0.00147 0.00207 0.00339 0.00466 0.00834 Eigenvalues --- 0.00954 0.01521 0.01887 0.01992 0.02172 Eigenvalues --- 0.02304 0.02835 0.04867 0.05518 0.05746 Eigenvalues --- 0.05856 0.06141 0.07827 0.08664 0.10125 Eigenvalues --- 0.14994 0.15887 0.16050 0.16107 0.16415 Eigenvalues --- 0.17193 0.17808 0.19117 0.20048 0.23303 Eigenvalues --- 0.24101 0.24618 0.24858 0.25718 0.26551 Eigenvalues --- 0.29077 0.30216 0.31052 0.33145 0.34749 Eigenvalues --- 0.34913 0.34977 0.35200 0.35339 0.37620 Eigenvalues --- 0.38063 0.40830 0.41174 0.43000 0.43717 Eigenvalues --- 0.45003 0.47866 0.48251 0.50504 0.51080 Eigenvalues --- 0.58942 0.66468 0.69307 0.89629 0.96045 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 33 32 31 30 29 28 27 RFO step: Lambda=-1.63659657D-07. DidBck=T Rises=F RFO-DIIS coefs: 0.46848 0.36759 0.29064 -0.12598 -0.02782 RFO-DIIS coefs: 0.03305 -0.00596 Iteration 1 RMS(Cart)= 0.00034908 RMS(Int)= 0.00000186 Iteration 2 RMS(Cart)= 0.00000025 RMS(Int)= 0.00000184 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87907 -0.00002 0.00003 -0.00007 -0.00004 2.87903 R2 2.64027 -0.00002 0.00007 -0.00012 -0.00004 2.64023 R3 2.74750 0.00002 0.00001 0.00003 0.00004 2.74754 R4 2.02917 -0.00001 0.00003 -0.00003 -0.00000 2.02917 R5 2.04974 0.00001 0.00001 0.00000 0.00002 2.04976 R6 2.04925 -0.00000 0.00002 -0.00002 -0.00001 2.04924 R7 2.04904 0.00000 0.00005 -0.00005 0.00000 2.04904 R8 1.79348 -0.00003 -0.00006 0.00001 -0.00005 1.79343 R9 2.26288 0.00000 0.00001 0.00001 0.00002 2.26290 R10 2.63908 -0.00002 -0.00002 -0.00003 -0.00005 2.63903 R11 2.76928 -0.00001 0.00002 -0.00005 -0.00003 2.76925 R12 2.58755 -0.00001 0.00003 -0.00003 0.00000 2.58755 R13 1.88332 0.00000 0.00002 -0.00002 0.00000 1.88333 R14 2.28280 0.00001 -0.00001 0.00001 0.00000 2.28280 R15 2.57002 -0.00000 -0.00002 0.00001 -0.00001 2.57001 R16 2.64427 -0.00002 0.00002 -0.00006 -0.00004 2.64424 R17 2.50577 -0.00002 -0.00003 -0.00000 -0.00003 2.50574 R18 2.02130 0.00000 -0.00004 0.00005 0.00001 2.02131 R19 2.67582 -0.00001 -0.00000 0.00006 0.00006 2.67588 R20 2.74040 -0.00000 0.00006 0.00001 0.00007 2.74047 R21 2.52861 -0.00001 0.00005 -0.00007 -0.00001 2.52860 R22 1.78691 -0.00003 -0.00001 -0.00000 -0.00001 1.78690 A1 1.94440 0.00000 -0.00008 0.00008 0.00001 1.94440 A2 1.95033 -0.00002 0.00005 -0.00008 -0.00003 1.95030 A3 1.91801 0.00001 -0.00005 0.00005 0.00000 1.91802 A4 1.94809 0.00002 0.00004 -0.00002 0.00002 1.94810 A5 1.84510 -0.00001 0.00012 -0.00015 -0.00003 1.84507 A6 1.85251 0.00001 -0.00008 0.00011 0.00004 1.85254 A7 1.90361 0.00001 0.00013 -0.00009 0.00004 1.90365 A8 1.92597 -0.00000 0.00002 -0.00004 -0.00002 1.92595 A9 1.95385 -0.00001 -0.00014 0.00010 -0.00004 1.95380 A10 1.90162 0.00000 0.00003 -0.00002 0.00001 1.90163 A11 1.88948 0.00000 0.00003 -0.00003 0.00001 1.88948 A12 1.88834 0.00001 -0.00005 0.00007 0.00002 1.88835 A13 1.91911 0.00000 0.00021 -0.00019 0.00002 1.91913 A14 2.07202 0.00001 0.00001 0.00002 0.00003 2.07205 A15 2.24088 -0.00001 -0.00004 -0.00001 -0.00005 2.24083 A16 1.97018 0.00000 0.00003 -0.00001 0.00003 1.97021 A17 2.25719 -0.00001 -0.00003 -0.00000 -0.00003 2.25715 A18 2.01967 0.00001 0.00004 0.00001 0.00005 2.01972 A19 2.00544 0.00000 0.00002 -0.00003 -0.00001 2.00543 A20 2.11526 -0.00001 -0.00005 0.00003 -0.00001 2.11525 A21 1.99217 0.00001 -0.00000 0.00003 0.00002 1.99219 A22 2.17546 0.00000 0.00007 -0.00006 0.00001 2.17546 A23 2.08875 0.00001 -0.00001 0.00003 0.00003 2.08879 A24 2.08106 -0.00001 -0.00002 0.00002 0.00001 2.08107 A25 2.10683 -0.00000 0.00006 -0.00006 0.00001 2.10683 A26 2.17622 0.00000 -0.00006 0.00006 -0.00001 2.17622 A27 2.07466 0.00002 -0.00004 0.00011 0.00007 2.07473 A28 2.03227 -0.00002 0.00010 -0.00016 -0.00007 2.03220 A29 2.06031 0.00000 0.00004 -0.00003 0.00001 2.06032 A30 2.10279 -0.00001 -0.00005 -0.00001 -0.00006 2.10273 A31 2.11632 0.00001 0.00003 0.00003 0.00005 2.11637 A32 1.80149 -0.00002 -0.00005 -0.00003 -0.00008 1.80141 A33 1.92927 -0.00001 -0.00022 0.00009 -0.00013 1.92914 A34 1.91437 -0.00001 -0.00014 0.00001 -0.00013 1.91424 A35 1.78716 -0.00001 0.00007 -0.00009 -0.00002 1.78714 D1 0.99262 -0.00001 -0.00005 -0.00007 -0.00012 0.99250 D2 3.08099 -0.00001 0.00007 -0.00017 -0.00010 3.08089 D3 -1.09796 -0.00001 -0.00009 -0.00004 -0.00013 -1.09809 D4 -3.09812 0.00000 -0.00002 -0.00010 -0.00012 -3.09824 D5 -1.00975 0.00001 0.00010 -0.00020 -0.00010 -1.00985 D6 1.09448 0.00000 -0.00005 -0.00007 -0.00012 1.09436 D7 -1.04636 0.00000 -0.00012 0.00003 -0.00009 -1.04645 D8 1.04201 0.00000 0.00000 -0.00007 -0.00007 1.04194 D9 -3.13694 0.00000 -0.00015 0.00005 -0.00010 -3.13704 D10 1.19081 -0.00001 -0.00049 0.00001 -0.00048 1.19034 D11 -1.00288 0.00000 -0.00052 0.00007 -0.00045 -1.00333 D12 -3.00949 -0.00001 -0.00052 0.00003 -0.00049 -3.00998 D13 2.16890 0.00000 -0.00026 0.00013 -0.00012 2.16878 D14 -1.09453 0.00000 0.00029 0.00007 0.00036 -1.09417 D15 -1.92387 0.00000 -0.00029 0.00017 -0.00012 -1.92400 D16 1.09588 0.00001 0.00026 0.00010 0.00035 1.09623 D17 0.07817 0.00000 -0.00017 0.00005 -0.00013 0.07805 D18 3.09793 0.00000 0.00037 -0.00002 0.00035 3.09828 D19 3.06268 0.00000 0.00066 -0.00032 0.00034 3.06302 D20 -0.03081 0.00001 -0.00010 0.00027 0.00017 -0.03065 D21 -0.06439 -0.00001 0.00040 -0.00039 0.00001 -0.06439 D22 3.12530 -0.00001 -0.00037 0.00020 -0.00017 3.12513 D23 -3.05252 -0.00002 -0.00076 0.00017 -0.00058 -3.05311 D24 -0.00289 -0.00001 -0.00061 0.00007 -0.00054 -0.00342 D25 0.07283 0.00000 -0.00047 0.00026 -0.00021 0.07262 D26 3.12246 0.00000 -0.00031 0.00015 -0.00016 3.12230 D27 -3.11680 -0.00002 -0.00067 0.00029 -0.00037 -3.11717 D28 -0.00026 0.00002 -0.00002 0.00035 0.00033 0.00007 D29 -0.02298 -0.00002 0.00009 -0.00029 -0.00020 -0.02318 D30 3.09356 0.00002 0.00074 -0.00023 0.00051 3.09407 D31 3.07505 -0.00002 0.00025 -0.00024 0.00001 3.07506 D32 0.05713 -0.00002 -0.00029 -0.00018 -0.00047 0.05666 D33 -0.09259 0.00003 0.00093 -0.00018 0.00075 -0.09184 D34 -3.11051 0.00002 0.00038 -0.00012 0.00026 -3.11025 D35 -3.06441 0.00001 -0.00035 0.00017 -0.00018 -3.06459 D36 0.08581 0.00000 -0.00019 -0.00011 -0.00030 0.08552 D37 -0.04595 0.00001 0.00020 0.00011 0.00030 -0.04564 D38 3.10427 0.00000 0.00036 -0.00017 0.00018 3.10446 D39 -0.02516 0.00000 0.00021 -0.00015 0.00007 -0.02509 D40 -3.07405 -0.00000 0.00007 -0.00004 0.00003 -3.07402 D41 3.10799 0.00001 0.00006 0.00013 0.00019 3.10818 D42 0.05911 0.00000 -0.00009 0.00023 0.00014 0.05925 D43 1.07548 0.00002 0.00029 -0.00001 0.00028 1.07577 D44 3.12147 -0.00001 0.00000 0.00003 0.00003 3.12150 D45 -2.16105 0.00002 0.00045 -0.00012 0.00033 -2.16073 D46 -0.11507 -0.00001 0.00016 -0.00009 0.00007 -0.11499 D47 -2.00810 -0.00001 0.00104 0.00057 0.00161 -2.00649 D48 2.21862 0.00002 0.00138 0.00048 0.00186 2.22049 Item Value Threshold Converged? Maximum Force 0.000033 0.000450 YES RMS Force 0.000012 0.000300 YES Maximum Displacement 0.001772 0.001800 YES RMS Displacement 0.000349 0.001200 YES Predicted change in Energy=-7.711777D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5235 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3972 -DE/DX = 0.0 ! ! R3 R(1,9) 1.4539 -DE/DX = 0.0 ! ! R4 R(1,12) 1.0738 -DE/DX = 0.0 ! ! R5 R(2,13) 1.0847 -DE/DX = 0.0 ! ! R6 R(2,14) 1.0844 -DE/DX = 0.0 ! ! R7 R(2,18) 1.0843 -DE/DX = 0.0 ! ! R8 R(3,19) 0.9491 -DE/DX = 0.0 ! ! R9 R(4,5) 1.1975 -DE/DX = 0.0 ! ! R10 R(5,6) 1.3965 -DE/DX = 0.0 ! ! R11 R(5,11) 1.4654 -DE/DX = 0.0 ! ! R12 R(6,7) 1.3693 -DE/DX = 0.0 ! ! R13 R(6,15) 0.9966 -DE/DX = 0.0 ! ! R14 R(7,8) 1.208 -DE/DX = 0.0 ! ! R15 R(7,9) 1.36 -DE/DX = 0.0 ! ! R16 R(9,10) 1.3993 -DE/DX = 0.0 ! ! R17 R(10,11) 1.326 -DE/DX = 0.0 ! ! R18 R(10,16) 1.0696 -DE/DX = 0.0 ! ! R19 R(11,17) 1.416 -DE/DX = 0.0 ! ! R20 R(17,20) 1.4502 -DE/DX = 0.0 ! ! R21 R(17,21) 1.3381 -DE/DX = 0.0 ! ! R22 R(20,22) 0.9456 -DE/DX = 0.0 ! ! A1 A(2,1,3) 111.4057 -DE/DX = 0.0 ! ! A2 A(2,1,9) 111.7457 -DE/DX = 0.0 ! ! A3 A(2,1,12) 109.894 -DE/DX = 0.0 ! ! A4 A(3,1,9) 111.6171 -DE/DX = 0.0 ! ! A5 A(3,1,12) 105.7164 -DE/DX = 0.0 ! ! A6 A(9,1,12) 106.1408 -DE/DX = 0.0 ! ! A7 A(1,2,13) 109.069 -DE/DX = 0.0 ! ! A8 A(1,2,14) 110.3499 -DE/DX = 0.0 ! ! A9 A(1,2,18) 111.9471 -DE/DX = 0.0 ! ! A10 A(13,2,14) 108.9548 -DE/DX = 0.0 ! ! A11 A(13,2,18) 108.259 -DE/DX = 0.0 ! ! A12 A(14,2,18) 108.1938 -DE/DX = 0.0 ! ! A13 A(1,3,19) 109.9569 -DE/DX = 0.0 ! ! A14 A(4,5,6) 118.7181 -DE/DX = 0.0 ! ! A15 A(4,5,11) 128.3927 -DE/DX = 0.0 ! ! A16 A(6,5,11) 112.883 -DE/DX = 0.0 ! ! A17 A(5,6,7) 129.3273 -DE/DX = 0.0 ! ! A18 A(5,6,15) 115.7186 -DE/DX = 0.0 ! ! A19 A(7,6,15) 114.9031 -DE/DX = 0.0 ! ! A20 A(6,7,8) 121.1953 -DE/DX = 0.0 ! ! A21 A(6,7,9) 114.1431 -DE/DX = 0.0 ! ! A22 A(8,7,9) 124.6445 -DE/DX = 0.0 ! ! A23 A(1,9,7) 119.6768 -DE/DX = 0.0 ! ! A24 A(1,9,10) 119.2357 -DE/DX = 0.0 ! ! A25 A(7,9,10) 120.7122 -DE/DX = 0.0 ! ! A26 A(9,10,11) 124.6885 -DE/DX = 0.0 ! ! A27 A(9,10,16) 118.8694 -DE/DX = 0.0 ! ! A28 A(11,10,16) 116.4404 -DE/DX = 0.0 ! ! A29 A(5,11,10) 118.0471 -DE/DX = 0.0 ! ! A30 A(5,11,17) 120.4812 -DE/DX = 0.0 ! ! A31 A(10,11,17) 121.2561 -DE/DX = 0.0 ! ! A32 A(11,17,20) 103.2176 -DE/DX = 0.0 ! ! A33 A(11,17,21) 110.5391 -DE/DX = 0.0 ! ! A34 A(20,17,21) 109.6855 -DE/DX = 0.0 ! ! A35 A(17,20,22) 102.3967 -DE/DX = 0.0 ! ! D1 D(3,1,2,13) 56.8732 -DE/DX = 0.0 ! ! D2 D(3,1,2,14) 176.5279 -DE/DX = 0.0 ! ! D3 D(3,1,2,18) -62.9086 -DE/DX = 0.0 ! ! D4 D(9,1,2,13) -177.5091 -DE/DX = 0.0 ! ! D5 D(9,1,2,14) -57.8543 -DE/DX = 0.0 ! ! D6 D(9,1,2,18) 62.7092 -DE/DX = 0.0 ! ! D7 D(12,1,2,13) -59.9519 -DE/DX = 0.0 ! ! D8 D(12,1,2,14) 59.7028 -DE/DX = 0.0 ! ! D9 D(12,1,2,18) -179.7337 -DE/DX = 0.0 ! ! D10 D(2,1,3,19) 68.2285 -DE/DX = 0.0 ! ! D11 D(9,1,3,19) -57.4606 -DE/DX = 0.0 ! ! D12 D(12,1,3,19) -172.4311 -DE/DX = 0.0 ! ! D13 D(2,1,9,7) 124.2689 -DE/DX = 0.0 ! ! D14 D(2,1,9,10) -62.7119 -DE/DX = 0.0 ! ! D15 D(3,1,9,7) -110.2299 -DE/DX = 0.0 ! ! D16 D(3,1,9,10) 62.7893 -DE/DX = 0.0 ! ! D17 D(12,1,9,7) 4.479 -DE/DX = 0.0 ! ! D18 D(12,1,9,10) 177.4983 -DE/DX = 0.0 ! ! D19 D(4,5,6,7) 175.4788 -DE/DX = 0.0 ! ! D20 D(4,5,6,15) -1.7654 -DE/DX = 0.0 ! ! D21 D(11,5,6,7) -3.6894 -DE/DX = 0.0 ! ! D22 D(11,5,6,15) 179.0663 -DE/DX = 0.0 ! ! D23 D(4,5,11,10) -174.8966 -DE/DX = 0.0 ! ! D24 D(4,5,11,17) -0.1653 -DE/DX = 0.0 ! ! D25 D(6,5,11,10) 4.1727 -DE/DX = 0.0 ! ! D26 D(6,5,11,17) 178.904 -DE/DX = 0.0 ! ! D27 D(5,6,7,8) -178.5795 -DE/DX = 0.0 ! ! D28 D(5,6,7,9) -0.0149 -DE/DX = 0.0 ! ! D29 D(15,6,7,8) -1.3168 -DE/DX = 0.0 ! ! D30 D(15,6,7,9) 177.2478 -DE/DX = 0.0 ! ! D31 D(6,7,9,1) 176.1874 -DE/DX = 0.0 ! ! D32 D(6,7,9,10) 3.2732 -DE/DX = 0.0 ! ! D33 D(8,7,9,1) -5.3051 -DE/DX = 0.0 ! ! D34 D(8,7,9,10) -178.2192 -DE/DX = 0.0 ! ! D35 D(1,9,10,11) -175.5777 -DE/DX = 0.0 ! ! D36 D(1,9,10,16) 4.9167 -DE/DX = 0.0 ! ! D37 D(7,9,10,11) -2.6327 -DE/DX = 0.0 ! ! D38 D(7,9,10,16) 177.8618 -DE/DX = 0.0 ! ! D39 D(9,10,11,5) -1.4414 -DE/DX = 0.0 ! ! D40 D(9,10,11,17) -176.1299 -DE/DX = 0.0 ! ! D41 D(16,10,11,5) 178.0749 -DE/DX = 0.0 ! ! D42 D(16,10,11,17) 3.3865 -DE/DX = 0.0 ! ! D43 D(5,11,17,20) 61.6206 -DE/DX = 0.0 ! ! D44 D(5,11,17,21) 178.8472 -DE/DX = 0.0 ! ! D45 D(10,11,17,20) -123.8193 -DE/DX = 0.0 ! ! D46 D(10,11,17,21) -6.5928 -DE/DX = 0.0 ! ! D47 D(11,17,20,22) -115.0559 -DE/DX = 0.0 ! ! D48 D(21,17,20,22) 127.1178 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.025081 -4.883084 2.032238 2 6 0 7.106081 -5.129451 3.533540 3 8 0 7.005446 -6.084167 1.318720 4 8 0 2.766715 -1.782420 0.606794 5 6 0 3.627969 -2.551758 0.923470 6 7 0 4.956659 -2.222756 0.646588 7 6 0 6.104006 -2.890607 0.981964 8 8 0 7.190977 -2.455163 0.685057 9 7 0 5.895685 -4.035631 1.685607 10 6 0 4.597404 -4.484066 1.952787 11 6 0 3.490688 -3.840403 1.607616 12 1 0 7.902801 -4.361516 1.699670 13 1 0 7.985443 -5.727297 3.747607 14 1 0 7.181785 -4.188147 4.066618 15 1 0 5.097886 -1.360001 0.168105 16 1 0 4.467599 -5.406344 2.478766 17 7 0 2.213325 -4.320390 1.985730 18 1 0 6.236164 -5.659722 3.904718 19 1 0 6.190709 -6.543443 1.479949 20 8 0 1.520506 -4.452920 0.718690 21 8 0 2.316601 -5.519460 2.570564 22 1 0 0.829470 -3.812255 0.797201 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523537 0.000000 3 O 1.397173 2.413926 0.000000 4 O 5.457077 6.212774 6.081012 0.000000 5 C 4.266710 5.055119 4.903212 1.197466 0.000000 6 N 3.643589 4.626379 4.422645 2.234130 1.396540 7 C 2.433397 3.539366 3.335390 3.536431 2.499799 8 O 2.781586 3.908053 3.688580 4.475802 3.572282 9 N 1.453914 2.465027 2.358532 4.003905 2.815185 10 C 2.461532 3.034594 2.959904 3.530157 2.394392 11 C 3.709369 4.294402 4.179888 2.400224 1.465438 12 H 1.073791 2.141860 1.979367 5.850256 4.706580 13 H 2.139505 1.084676 2.643339 7.256851 6.086656 14 H 2.155504 1.084415 3.343192 6.103339 5.018641 15 H 4.427323 5.437624 5.223068 2.409408 2.037527 16 H 2.648377 2.854961 2.871553 4.419289 3.357467 17 N 4.844768 5.195128 5.149780 2.940917 2.501534 18 H 2.175256 1.084305 2.731179 6.160102 5.034874 19 H 1.938553 2.656033 0.949066 5.929037 4.776071 20 O 5.675455 6.291242 5.753744 2.949090 2.845656 21 O 4.781689 4.900872 4.885824 4.245523 3.638662 22 H 6.407619 6.972690 6.601230 2.812366 3.071871 6 7 8 9 10 6 N 0.000000 7 C 1.369272 0.000000 8 O 2.246702 1.208003 0.000000 9 N 2.290818 1.359996 2.275249 0.000000 10 C 2.636047 2.398219 3.528485 1.399290 0.000000 11 C 2.385252 2.850084 4.057356 2.414168 1.325996 12 H 3.789859 2.431942 2.273833 2.033448 3.317338 13 H 5.574196 4.385818 4.551621 3.388313 4.030609 14 H 4.528858 3.515723 3.799773 2.710448 3.351846 15 H 0.996613 2.004345 2.418191 3.177781 3.632540 16 H 3.705575 3.353681 4.398141 2.132460 1.069626 17 N 3.703951 4.264882 5.472462 3.705528 2.389918 18 H 4.905637 4.028394 4.641884 2.770930 2.806730 19 H 4.570088 3.687644 4.283272 2.533467 2.646361 20 O 4.097070 4.849599 6.012189 4.500139 3.315308 21 O 4.641104 4.876367 6.058432 3.974260 2.579875 22 H 4.425255 5.357639 6.505616 5.148368 3.998004 11 12 13 14 15 11 C 0.000000 12 H 4.443734 0.000000 13 H 5.323791 2.462973 0.000000 14 H 4.448798 2.480396 1.765395 0.000000 15 H 3.287502 4.384328 6.342247 5.247805 0.000000 16 H 2.040938 3.674135 3.753424 3.372252 4.702053 17 N 1.415985 5.696811 6.196849 5.388244 4.515346 18 H 4.015499 3.053728 1.757620 1.756685 5.809092 19 H 3.822674 2.782147 3.004902 3.636001 5.457404 20 O 2.246550 6.457892 7.252157 6.582462 4.760981 21 O 2.263842 5.771041 5.793478 5.261234 5.550536 22 H 2.782022 7.151793 7.973721 7.154180 4.962729 16 17 18 19 20 16 H 0.000000 17 N 2.550320 0.000000 18 H 2.285905 4.653983 0.000000 19 H 2.293411 4.584469 2.581189 0.000000 20 O 3.562617 1.450156 5.817609 5.173064 0.000000 21 O 2.155925 1.338083 4.142778 4.152913 2.280507 22 H 4.313324 1.893636 6.504009 6.055445 0.945593 21 22 21 O 0.000000 22 H 2.875922 0.000000 Stoichiometry C6H8N3O5(1-) Framework group C1[X(C6H8N3O5)] Deg. of freedom 60 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.479152 -0.497212 -0.110080 2 6 0 2.820568 -1.371068 1.090327 3 8 0 2.568497 -1.215179 -1.305334 4 8 0 -2.422309 1.866786 0.298429 5 6 0 -1.401682 1.253087 0.173459 6 7 0 -0.207001 1.960864 0.024759 7 6 0 1.076864 1.490564 -0.048827 8 8 0 2.014512 2.244945 -0.153699 9 7 0 1.179338 0.137203 0.037787 10 6 0 0.033974 -0.662416 0.120034 11 6 0 -1.207492 -0.199427 0.171695 12 1 0 3.192684 0.300610 -0.195979 13 1 0 3.813508 -1.786271 0.955427 14 1 0 2.805446 -0.783017 2.001329 15 1 0 -0.291992 2.953663 0.005696 16 1 0 0.147543 -1.725510 0.152183 17 7 0 -2.310731 -1.071779 0.335640 18 1 0 2.121802 -2.192122 1.205718 19 1 0 1.880256 -1.867550 -1.343565 20 8 0 -3.146447 -0.768389 -0.809998 21 8 0 -1.912730 -2.347995 0.277891 22 1 0 -3.920981 -0.406332 -0.406070 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0228380 0.5475212 0.3932449 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.47192 -20.41949 -20.41485 -20.39181 -20.25886 Alpha occ. eigenvalues -- -15.50201 -15.49539 -15.46273 -11.28271 -11.24031 Alpha occ. eigenvalues -- -11.22566 -11.14441 -11.13087 -11.11207 -1.31766 Alpha occ. eigenvalues -- -1.28948 -1.27803 -1.23360 -1.17299 -1.11578 Alpha occ. eigenvalues -- -1.07878 -0.95008 -0.91924 -0.81008 -0.79401 Alpha occ. eigenvalues -- -0.75965 -0.71602 -0.64038 -0.61954 -0.57462 Alpha occ. eigenvalues -- -0.56214 -0.54634 -0.53417 -0.52378 -0.51453 Alpha occ. eigenvalues -- -0.50106 -0.47912 -0.47450 -0.46115 -0.44656 Alpha occ. eigenvalues -- -0.43325 -0.41564 -0.38350 -0.36797 -0.35842 Alpha occ. eigenvalues -- -0.34734 -0.31902 -0.31112 -0.30558 -0.28301 Alpha occ. eigenvalues -- -0.19765 -0.17604 -0.10967 Alpha virt. eigenvalues -- 0.25916 0.31318 0.32636 0.35899 0.37006 Alpha virt. eigenvalues -- 0.38944 0.40272 0.41349 0.42564 0.45812 Alpha virt. eigenvalues -- 0.47523 0.48621 0.52478 0.54246 0.55658 Alpha virt. eigenvalues -- 0.56126 0.58632 0.60748 0.62205 0.63451 Alpha virt. eigenvalues -- 0.67565 0.68814 0.72232 0.75303 0.80460 Alpha virt. eigenvalues -- 0.82129 0.83806 0.87278 0.87600 0.89775 Alpha virt. eigenvalues -- 0.91323 0.94095 0.96916 0.98018 0.99726 Alpha virt. eigenvalues -- 1.03175 1.04176 1.04611 1.08953 1.09139 Alpha virt. eigenvalues -- 1.10591 1.13108 1.14024 1.16278 1.16560 Alpha virt. eigenvalues -- 1.19936 1.20083 1.21683 1.22503 1.24067 Alpha virt. eigenvalues -- 1.24682 1.25419 1.26176 1.28135 1.28796 Alpha virt. eigenvalues -- 1.30208 1.31976 1.32854 1.34908 1.35645 Alpha virt. eigenvalues -- 1.37703 1.39200 1.42266 1.43546 1.44899 Alpha virt. eigenvalues -- 1.45037 1.45971 1.48077 1.48565 1.51772 Alpha virt. eigenvalues -- 1.53221 1.54160 1.55101 1.56621 1.59331 Alpha virt. eigenvalues -- 1.63206 1.64137 1.68107 1.69039 1.70359 Alpha virt. eigenvalues -- 1.75262 1.76104 1.77302 1.80270 1.80660 Alpha virt. eigenvalues -- 1.82762 1.86086 1.87977 1.93319 1.94183 Alpha virt. eigenvalues -- 1.97368 1.99684 2.04198 2.05491 2.09795 Alpha virt. eigenvalues -- 2.12127 2.13790 2.17057 2.19440 2.20399 Alpha virt. eigenvalues -- 2.22670 2.22836 2.23990 2.27638 2.28357 Alpha virt. eigenvalues -- 2.30171 2.32310 2.34382 2.37104 2.38247 Alpha virt. eigenvalues -- 2.40653 2.41676 2.42974 2.44186 2.45045 Alpha virt. eigenvalues -- 2.50249 2.51456 2.53390 2.56792 2.58468 Alpha virt. eigenvalues -- 2.60578 2.61475 2.63391 2.65185 2.67179 Alpha virt. eigenvalues -- 2.68593 2.69226 2.73548 2.76527 2.79195 Alpha virt. eigenvalues -- 2.82932 2.83383 2.88230 2.89366 2.93223 Alpha virt. eigenvalues -- 2.93912 2.99183 3.03241 3.05263 3.08316 Alpha virt. eigenvalues -- 3.09543 3.10570 3.14838 3.17506 3.19521 Alpha virt. eigenvalues -- 3.20886 3.26125 3.29281 3.31936 3.36182 Alpha virt. eigenvalues -- 3.39799 3.43487 3.46158 3.52114 3.52608 Alpha virt. eigenvalues -- 3.57486 3.63866 3.84033 3.99194 4.27484 Alpha virt. eigenvalues -- 4.29590 4.38179 4.56035 4.57100 4.67043 Alpha virt. eigenvalues -- 4.73770 4.81111 4.82726 4.92856 5.05100 Alpha virt. eigenvalues -- 5.08261 5.21793 5.39654 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.565174 0.372777 0.239076 0.000001 -0.000138 0.001800 2 C 0.372777 5.176712 -0.064710 -0.000000 0.000015 -0.000116 3 O 0.239076 -0.064710 8.411703 -0.000000 0.000032 -0.000047 4 O 0.000001 -0.000000 -0.000000 8.155176 0.626078 -0.101862 5 C -0.000138 0.000015 0.000032 0.626078 4.099615 0.222542 6 N 0.001800 -0.000116 -0.000047 -0.101862 0.222542 7.529580 7 C -0.023307 0.003232 0.002801 0.000938 -0.013463 0.301636 8 O -0.002673 0.000169 0.000056 -0.000023 0.000604 -0.093011 9 N 0.218280 -0.071558 -0.074792 -0.000040 -0.004021 -0.120377 10 C -0.020996 -0.013225 0.004743 0.004621 -0.063358 -0.004888 11 C 0.000687 -0.000492 0.000290 -0.076556 0.326882 -0.099985 12 H 0.430192 -0.048155 -0.035340 0.000000 -0.000034 0.000554 13 H -0.038800 0.387854 0.001863 0.000000 -0.000000 0.000001 14 H -0.032948 0.374655 0.003421 0.000000 -0.000000 -0.000001 15 H -0.000044 0.000003 0.000001 0.006746 -0.010556 0.302392 16 H 0.000385 -0.001768 0.000655 -0.000038 0.004558 -0.000333 17 N -0.000041 0.000001 -0.000002 0.000096 -0.032805 0.001643 18 H -0.024682 0.382665 -0.000848 -0.000000 -0.000001 -0.000003 19 H -0.018478 -0.003787 0.258564 -0.000000 0.000002 -0.000011 20 O 0.000001 0.000000 -0.000000 -0.003007 0.006861 0.000029 21 O -0.000037 0.000018 0.000002 0.000004 0.004316 -0.000039 22 H -0.000000 0.000000 0.000000 0.002394 -0.000246 0.000068 7 8 9 10 11 12 1 C -0.023307 -0.002673 0.218280 -0.020996 0.000687 0.430192 2 C 0.003232 0.000169 -0.071558 -0.013225 -0.000492 -0.048155 3 O 0.002801 0.000056 -0.074792 0.004743 0.000290 -0.035340 4 O 0.000938 -0.000023 -0.000040 0.004621 -0.076556 0.000000 5 C -0.013463 0.000604 -0.004021 -0.063358 0.326882 -0.000034 6 N 0.301636 -0.093011 -0.120377 -0.004888 -0.099985 0.000554 7 C 3.767709 0.650197 0.304679 -0.036862 -0.001334 -0.005835 8 O 0.650197 8.199568 -0.101777 0.000630 0.000075 0.012964 9 N 0.304679 -0.101777 7.639067 0.098692 -0.047014 -0.044282 10 C -0.036862 0.000630 0.098692 5.083256 0.616158 0.003808 11 C -0.001334 0.000075 -0.047014 0.616158 5.143628 0.000068 12 H -0.005835 0.012964 -0.044282 0.003808 0.000068 0.452615 13 H -0.000026 -0.000001 0.004882 0.000040 0.000002 -0.002682 14 H 0.000084 0.000144 0.001274 0.000197 -0.000075 -0.000062 15 H -0.013572 0.004341 0.004357 -0.001104 0.005547 -0.000008 16 H 0.001042 -0.000046 -0.040611 0.319953 -0.003124 -0.000009 17 N 0.000006 0.000000 0.002617 -0.054751 0.209558 0.000001 18 H -0.000260 -0.000012 -0.004786 0.004189 0.000423 0.003146 19 H -0.000565 -0.000026 -0.005054 0.006595 0.000581 0.004404 20 O -0.000001 -0.000000 0.000024 0.002228 -0.092272 -0.000000 21 O 0.000010 0.000000 0.001280 -0.009486 -0.097397 -0.000000 22 H -0.000001 0.000000 -0.000001 -0.000348 0.004693 0.000000 13 14 15 16 17 18 1 C -0.038800 -0.032948 -0.000044 0.000385 -0.000041 -0.024682 2 C 0.387854 0.374655 0.000003 -0.001768 0.000001 0.382665 3 O 0.001863 0.003421 0.000001 0.000655 -0.000002 -0.000848 4 O 0.000000 0.000000 0.006746 -0.000038 0.000096 -0.000000 5 C -0.000000 -0.000000 -0.010556 0.004558 -0.032805 -0.000001 6 N 0.000001 -0.000001 0.302392 -0.000333 0.001643 -0.000003 7 C -0.000026 0.000084 -0.013572 0.001042 0.000006 -0.000260 8 O -0.000001 0.000144 0.004341 -0.000046 0.000000 -0.000012 9 N 0.004882 0.001274 0.004357 -0.040611 0.002617 -0.004786 10 C 0.000040 0.000197 -0.001104 0.319953 -0.054751 0.004189 11 C 0.000002 -0.000075 0.005547 -0.003124 0.209558 0.000423 12 H -0.002682 -0.000062 -0.000008 -0.000009 0.000001 0.003146 13 H 0.536963 -0.024385 -0.000000 -0.000012 -0.000000 -0.026676 14 H -0.024385 0.533605 -0.000000 0.000103 0.000000 -0.023367 15 H -0.000000 -0.000000 0.303177 0.000017 -0.000034 0.000000 16 H -0.000012 0.000103 0.000017 0.412578 -0.018401 -0.000173 17 N -0.000000 0.000000 -0.000034 -0.018401 6.705406 0.000010 18 H -0.026676 -0.023367 0.000000 -0.000173 0.000010 0.509665 19 H -0.000270 -0.000045 0.000000 0.001393 -0.000010 0.002138 20 O -0.000000 -0.000000 0.000006 0.000798 0.082888 -0.000000 21 O -0.000000 -0.000000 0.000001 0.057039 0.144303 -0.000081 22 H 0.000000 0.000000 -0.000002 -0.000059 -0.023806 0.000000 19 20 21 22 1 C -0.018478 0.000001 -0.000037 -0.000000 2 C -0.003787 0.000000 0.000018 0.000000 3 O 0.258564 -0.000000 0.000002 0.000000 4 O -0.000000 -0.003007 0.000004 0.002394 5 C 0.000002 0.006861 0.004316 -0.000246 6 N -0.000011 0.000029 -0.000039 0.000068 7 C -0.000565 -0.000001 0.000010 -0.000001 8 O -0.000026 -0.000000 0.000000 0.000000 9 N -0.005054 0.000024 0.001280 -0.000001 10 C 0.006595 0.002228 -0.009486 -0.000348 11 C 0.000581 -0.092272 -0.097397 0.004693 12 H 0.004404 -0.000000 -0.000000 0.000000 13 H -0.000270 -0.000000 -0.000000 0.000000 14 H -0.000045 -0.000000 -0.000000 0.000000 15 H 0.000000 0.000006 0.000001 -0.000002 16 H 0.001393 0.000798 0.057039 -0.000059 17 N -0.000010 0.082888 0.144303 -0.023806 18 H 0.002138 -0.000000 -0.000081 0.000000 19 H 0.301616 -0.000000 -0.000000 0.000000 20 O -0.000000 8.479517 -0.064511 0.245970 21 O -0.000000 -0.064511 8.727970 0.004641 22 H 0.000000 0.245970 0.004641 0.348617 Mulliken charges: 1 1 C 0.333772 2 C -0.494291 3 O -0.747468 4 O -0.614529 5 C 0.833119 6 N -0.939574 7 C 1.062891 8 O -0.671179 9 N -0.760840 10 C 0.059908 11 C 0.109657 12 H 0.228655 13 H 0.161247 14 H 0.167402 15 H 0.398731 16 H 0.266054 17 N -0.016680 18 H 0.178653 19 H 0.452953 20 O -0.658532 21 O -0.768031 22 H 0.418079 Sum of Mulliken charges = -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.562427 2 C 0.013011 3 O -0.294515 4 O -0.614529 5 C 0.833119 6 N -0.540842 7 C 1.062891 8 O -0.671179 9 N -0.760840 10 C 0.325962 11 C 0.109657 17 N -0.016680 20 O -0.240452 21 O -0.768031 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147350171 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= 1.51D+01 NSMCal= 2628 NSMKep= 2293 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 2293 NTPThr= 100 NPartT= 1 Incr= 22 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 22. PRISM was handed 2147134619 working-precision words and 2293 shell-pairs IPart= 0 NShTot= 2293 NBatch= 52 AvBLen= 44.1 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 23. Electronic moments (au): -106.00000000 2.85601523 1.26127203 0.43032653 -1715.12586962 -887.20293396 -197.55567317 -14.40003984 4.23643299 0.65873127 140.96659795 -477.77862566 33.01735294 144.05617721 1243.53739344 221.99618713 -370.21557005 292.64808481 -134.36723347 153.90852157 -45981.12969177 -14266.00934942 -1385.19312664 2040.14440647 -2278.41088498 -2030.45153712 514.44578466 -168.29490562 -58.59927409 -13150.56128659 -4651.91568087 -1402.28773454 -175.91626689 547.01313495 1060.26150521 Electronic spatial extent (au): = 2799.8845 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 105.00000000 -0.00000000 -0.00000000 -0.00000000 1629.48688786 808.36762693 133.09139987 0.00000000 -0.00000000 0.00000000 -137.85407317 514.47313711 -36.70545056 -98.32393217 -1236.99703672 -200.36774316 369.03557853 -284.84771309 119.98368644 -154.39610915 40253.75475652 11151.19292504 735.10386968 -2119.55950083 2376.52852886 1679.44967032 -432.99527457 168.45382353 86.35495982 11224.23454912 3466.11608390 810.14523412 123.03938392 -509.54246841 -1061.59731491 Total moments (au): -1.00000000 2.85601523 1.26127203 0.43032653 -85.63898176 -78.83530703 -64.46427330 -14.40003984 4.23643299 0.65873127 3.11252478 36.69451146 -3.68809762 45.73224504 6.54035671 21.62844397 -1.17999153 7.80037172 -14.38354702 -0.48758758 -5727.37493524 -3114.81642437 -650.08925695 -79.41509436 98.11764389 -351.00186679 81.45051009 0.15891791 27.75568573 -1926.32673747 -1185.79959697 -592.14250042 -52.87688297 37.47066653 -1.33580970 Traceless Quadrup. (au): -9.32612773 -2.52245300 11.84858073 -14.40003984 4.23643299 0.65873127 Charge= -1.0000 electrons Dipole moment (field-independent basis, Debye): X= 7.2593 Y= 3.2058 Z= 1.0938 Tot= 8.0107 Quadrupole moment (field-independent basis, Debye-Ang): XX= -115.1874 YY= -106.0362 ZZ= -86.7067 XY= -19.3685 XZ= 5.6981 YZ= 0.8860 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -12.5440 YY= -3.3928 ZZ= 15.9367 XY= -19.3685 XZ= 5.6981 YZ= 0.8860 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 2.2154 YYY= 26.1177 ZZZ= -2.6250 XYY= 32.5505 XXY= 4.6552 XXZ= 15.3943 XZZ= -0.8399 YZZ= 5.5520 YYZ= -10.2377 XYZ= -0.3470 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -2157.2040 YYYY= -1173.1892 ZZZZ= -244.8548 XXXY= -29.9115 XXXZ= 36.9558 YYYX= -132.2041 YYYZ= 30.6782 ZZZX= 0.0599 ZZZY= 10.4541 XXYY= -725.5470 XXZZ= -446.6290 YYZZ= -223.0293 XXYZ= -19.9160 YYXZ= 14.1132 ZZXY= -0.5031 N-N= 9.528004802280D+02 E-N=-3.732840451128D+03 KE= 7.681525783442D+02 Entering OneElI... OneElI was handed 2147375024 working-precision words. Calculate electrostatic properties NBasis = 226 MinDer = 0 MaxDer = 0 NGrid = 22 NMatD = 1 Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.51D+01 NSMCal= 2628 NSMKep= 2146 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 47212 NTPThr= 100 NPartT= 12 Incr= 39 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 39. PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs PRISM was handed 178866681 working-precision words and 2146 shell-pairs IPart= 0 NShTot= 4444 NBatch= 202 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 7 NShTot= 3850 NBatch= 175 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 3916 NBatch= 178 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 5 NShTot= 3938 NBatch= 179 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 3476 NBatch= 158 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 8 NShTot= 3696 NBatch= 168 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 10 NShTot= 3564 NBatch= 162 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 9 NShTot= 3652 NBatch= 166 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 2 NShTot= 4158 NBatch= 189 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 4114 NBatch= 187 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 4 NShTot= 4092 NBatch= 186 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 4312 NBatch= 196 AvBLen= 22.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 469. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.040553 0.130990 -0.090436 2 Atom 0.006486 -0.001148 -0.005337 3 Atom 0.365499 -0.128585 -0.236914 4 Atom -0.204044 0.982241 -0.778197 5 Atom 0.131501 0.383287 -0.514789 6 Atom -0.425419 -0.408300 0.833718 7 Atom 0.233326 0.216911 -0.450237 8 Atom -0.087095 0.392429 -0.305334 9 Atom -0.435276 -0.508816 0.944091 10 Atom 0.062158 0.180121 -0.242280 11 Atom 0.160598 0.025723 -0.186321 12 Atom -0.064766 -0.086363 0.151129 13 Atom -0.239673 0.089915 0.149758 14 Atom 0.162147 0.015906 -0.178053 15 Atom 0.179601 -0.429417 0.249816 16 Atom 0.145108 -0.312606 0.167498 17 Atom -0.100193 -0.215315 0.315508 18 Atom -0.036884 -0.111453 0.148338 19 Atom -0.135720 -0.098812 0.234531 20 Atom -1.110091 1.622745 -0.512654 21 Atom 1.009061 -2.554792 1.545731 22 Atom -0.279648 0.182908 0.096740 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.224129 0.020242 -0.249364 2 Atom 0.010126 -0.012614 0.014997 3 Atom -1.221082 0.141159 -1.296022 4 Atom 1.112959 -0.048797 -0.132620 5 Atom -0.167057 -0.075892 0.010242 6 Atom 0.049753 0.104209 0.045537 7 Atom 0.109415 -0.058035 -0.031218 8 Atom -1.231782 0.048941 0.038788 9 Atom 0.012583 0.107821 0.070173 10 Atom -0.240782 0.018524 -0.042637 11 Atom 0.003797 0.028577 0.019856 12 Atom -0.226413 0.024936 0.019982 13 Atom 0.166857 0.053799 -0.017685 14 Atom 0.004738 0.002740 -0.213240 15 Atom 0.052917 0.004512 0.013521 16 Atom 0.088976 0.002660 0.014178 17 Atom -0.195779 -1.306102 0.506260 18 Atom -0.229484 0.024948 0.039799 19 Atom -0.394103 -0.002864 -0.039905 20 Atom 1.298290 -0.733170 0.060874 21 Atom 1.284986 -0.165495 -0.193626 22 Atom 0.266517 0.264308 -0.126046 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.4695 2.255 0.805 0.752 0.7900 -0.6116 -0.0418 6 N(14) Bbb -0.3748 1.800 0.642 0.600 0.6074 0.7901 -0.0821 Bcc 0.8442 -4.055 -1.447 -1.352 0.0833 0.0395 0.9957 Baa -0.5130 2.464 0.879 0.822 -0.1053 0.9936 -0.0401 9 N(14) Bbb -0.4429 2.127 0.759 0.710 0.9914 0.1018 -0.0822 Bcc 0.9559 -4.591 -1.638 -1.531 0.0776 0.0484 0.9958 Baa -1.2494 6.000 2.141 2.002 0.7231 -0.1884 0.6645 17 N(14) Bbb -0.3281 1.576 0.562 0.526 0.3235 0.9424 -0.0848 Bcc 1.5775 -7.576 -2.703 -2.527 -0.6103 0.2763 0.7425 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon May 6 16:22:34 2024, MaxMem= 2147483648 cpu: 1.2 elap: 0.1 FitSet: NAtFit= 22 NAtPot= 22 NAtFrz= 0 MDM= 26 TotChg= -1.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 8 1.40 5 6 1.50 6 7 1.50 7 6 1.50 8 8 1.40 9 7 1.50 10 6 1.50 11 6 1.50 12 1 1.20 13 1 1.20 14 1 1.20 15 1 1.20 16 1 1.20 17 7 1.50 18 1 1.20 19 1 1.20 20 8 1.40 21 8 1.40 22 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 2.479152 -0.497212 -0.110080 Atomic Center 2 is at 2.820568 -1.371068 1.090327 Atomic Center 3 is at 2.568497 -1.215179 -1.305334 Atomic Center 4 is at -2.422309 1.866786 0.298429 Atomic Center 5 is at -1.401682 1.253087 0.173459 Atomic Center 6 is at -0.207001 1.960864 0.024759 Atomic Center 7 is at 1.076864 1.490564 -0.048827 Atomic Center 8 is at 2.014512 2.244945 -0.153699 Atomic Center 9 is at 1.179338 0.137203 0.037787 Atomic Center 10 is at 0.033974 -0.662416 0.120034 Atomic Center 11 is at -1.207492 -0.199427 0.171695 Atomic Center 12 is at 3.192684 0.300610 -0.195979 Atomic Center 13 is at 3.813508 -1.786271 0.955427 Atomic Center 14 is at 2.805446 -0.783017 2.001329 Atomic Center 15 is at -0.291992 2.953663 0.005696 Atomic Center 16 is at 0.147543 -1.725510 0.152183 Atomic Center 17 is at -2.310731 -1.071779 0.335640 Atomic Center 18 is at 2.121802 -2.192122 1.205718 Atomic Center 19 is at 1.880256 -1.867550 -1.343565 Atomic Center 20 is at -3.146447 -0.768389 -0.809998 Atomic Center 21 is at -1.912730 -2.347995 0.277891 Atomic Center 22 is at -3.920981 -0.406332 -0.406070 ESP Fit Center 23 is at 2.690479 0.972598 1.374845 ESP Fit Center 24 is at 4.496640 -0.911817 -0.519769 ESP Fit Center 25 is at 2.159871 0.624947 -1.856166 ESP Fit Center 26 is at 2.418750 -2.067037 3.030474 ESP Fit Center 27 is at 2.820568 -2.174703 3.030474 ESP Fit Center 28 is at 3.222385 -2.067037 3.030474 ESP Fit Center 29 is at 2.501286 -2.493228 2.836413 ESP Fit Center 30 is at 2.928217 -2.532789 2.836413 ESP Fit Center 31 is at 3.340609 -2.415453 2.836413 ESP Fit Center 32 is at 3.682767 -2.157067 2.836413 ESP Fit Center 33 is at 3.908481 -1.792528 2.836413 ESP Fit Center 34 is at 4.305492 -1.371068 2.575252 ESP Fit Center 35 is at 1.335643 -1.371068 2.575252 ESP Fit Center 36 is at 3.031894 -2.840878 2.575252 ESP Fit Center 37 is at 3.437427 -2.721803 2.575252 ESP Fit Center 38 is at 3.792986 -2.493299 2.575252 ESP Fit Center 39 is at 4.069765 -2.173879 2.575252 ESP Fit Center 40 is at 4.515916 -0.953202 2.257025 ESP Fit Center 41 is at 1.125220 -0.953202 2.257025 ESP Fit Center 42 is at 1.074481 -1.371068 2.257025 ESP Fit Center 43 is at 3.439738 -3.003687 2.257025 ESP Fit Center 44 is at 4.581397 -0.556422 1.893963 ESP Fit Center 45 is at 3.339612 -3.240497 1.893963 ESP Fit Center 46 is at 4.511052 -0.194456 1.500017 ESP Fit Center 47 is at 4.239598 0.121751 1.500017 ESP Fit Center 48 is at 4.566654 -0.204371 1.090327 ESP Fit Center 49 is at 4.305492 0.113856 1.090327 ESP Fit Center 50 is at 3.031035 -3.104423 -0.076370 ESP Fit Center 51 is at 3.437427 -2.721803 -0.394597 ESP Fit Center 52 is at 4.432568 -1.215179 -0.699661 ESP Fit Center 53 is at 2.983292 -3.032513 -0.699661 ESP Fit Center 54 is at 3.377287 -2.894648 -0.699661 ESP Fit Center 55 is at 3.730727 -2.672568 -0.699661 ESP Fit Center 56 is at 4.025887 -2.377408 -0.699661 ESP Fit Center 57 is at 4.247967 -2.023969 -0.699661 ESP Fit Center 58 is at 4.385832 -1.629973 -0.699661 ESP Fit Center 59 is at 4.517760 -1.215179 -1.100459 ESP Fit Center 60 is at 4.472188 -0.796145 -1.100459 ESP Fit Center 61 is at 3.089980 -3.093391 -1.100459 ESP Fit Center 62 is at 3.481549 -2.937376 -1.100459 ESP Fit Center 63 is at 3.830423 -2.700833 -1.100459 ESP Fit Center 64 is at 4.120292 -2.394822 -1.100459 ESP Fit Center 65 is at 4.337601 -2.033653 -1.100459 ESP Fit Center 66 is at 4.472188 -1.634212 -1.100459 ESP Fit Center 67 is at 4.517760 -1.215179 -1.510210 ESP Fit Center 68 is at 4.472188 -0.796145 -1.510210 ESP Fit Center 69 is at 4.337601 -0.396704 -1.510210 ESP Fit Center 70 is at 3.089980 -3.093391 -1.510210 ESP Fit Center 71 is at 3.481549 -2.937376 -1.510210 ESP Fit Center 72 is at 3.830423 -2.700833 -1.510210 ESP Fit Center 73 is at 4.120292 -2.394822 -1.510210 ESP Fit Center 74 is at 4.337601 -2.033653 -1.510210 ESP Fit Center 75 is at 4.472188 -1.634212 -1.510210 ESP Fit Center 76 is at 4.432568 -1.215179 -1.911008 ESP Fit Center 77 is at 4.385832 -0.800384 -1.911008 ESP Fit Center 78 is at 4.247967 -0.406389 -1.911008 ESP Fit Center 79 is at 4.025887 -0.052949 -1.911008 ESP Fit Center 80 is at 3.730727 0.242211 -1.911008 ESP Fit Center 81 is at 3.377287 0.464291 -1.911008 ESP Fit Center 82 is at 2.983292 0.602156 -1.911008 ESP Fit Center 83 is at 2.568497 0.648892 -1.911008 ESP Fit Center 84 is at 2.153703 0.602156 -1.911008 ESP Fit Center 85 is at 2.983292 -3.032513 -1.911008 ESP Fit Center 86 is at 3.377287 -2.894648 -1.911008 ESP Fit Center 87 is at 3.730727 -2.672568 -1.911008 ESP Fit Center 88 is at 4.025887 -2.377408 -1.911008 ESP Fit Center 89 is at 4.247967 -2.023969 -1.911008 ESP Fit Center 90 is at 4.385832 -1.629973 -1.911008 ESP Fit Center 91 is at 4.265907 -1.215179 -2.285334 ESP Fit Center 92 is at 4.212580 -0.793050 -2.285334 ESP Fit Center 93 is at 4.055949 -0.397445 -2.285334 ESP Fit Center 94 is at 3.805856 -0.053222 -2.285334 ESP Fit Center 95 is at 3.478015 0.217992 -2.285334 ESP Fit Center 96 is at 3.093026 0.399154 -2.285334 ESP Fit Center 97 is at 2.675079 0.478882 -2.285334 ESP Fit Center 98 is at 2.250435 0.452165 -2.285334 ESP Fit Center 99 is at 1.845775 0.320684 -2.285334 ESP Fit Center 100 is at 1.486528 0.092698 -2.285334 ESP Fit Center 101 is at 1.195264 -0.217466 -2.285334 ESP Fit Center 102 is at 0.990286 -0.590320 -2.285334 ESP Fit Center 103 is at 3.093026 -2.829511 -2.285334 ESP Fit Center 104 is at 3.478015 -2.648349 -2.285334 ESP Fit Center 105 is at 3.805856 -2.377135 -2.285334 ESP Fit Center 106 is at 4.055949 -2.032912 -2.285334 ESP Fit Center 107 is at 4.212580 -1.637307 -2.285334 ESP Fit Center 108 is at 4.025061 -1.215179 -2.616830 ESP Fit Center 109 is at 3.966060 -0.804817 -2.616830 ESP Fit Center 110 is at 3.793837 -0.427701 -2.616830 ESP Fit Center 111 is at 3.522344 -0.114381 -2.616830 ESP Fit Center 112 is at 3.173576 0.109759 -2.616830 ESP Fit Center 113 is at 2.775788 0.226560 -2.616830 ESP Fit Center 114 is at 2.361207 0.226560 -2.616830 ESP Fit Center 115 is at 1.963419 0.109759 -2.616830 ESP Fit Center 116 is at 1.614651 -0.114381 -2.616830 ESP Fit Center 117 is at 1.343158 -0.427701 -2.616830 ESP Fit Center 118 is at 1.170935 -0.804817 -2.616830 ESP Fit Center 119 is at 2.775788 -2.656917 -2.616830 ESP Fit Center 120 is at 3.173576 -2.540116 -2.616830 ESP Fit Center 121 is at 3.522344 -2.315976 -2.616830 ESP Fit Center 122 is at 3.793837 -2.002656 -2.616830 ESP Fit Center 123 is at 3.966060 -1.625540 -2.616830 ESP Fit Center 124 is at 3.720557 -1.215179 -2.891008 ESP Fit Center 125 is at 3.642761 -0.799007 -2.891008 ESP Fit Center 126 is at 3.419879 -0.439041 -2.891008 ESP Fit Center 127 is at 3.082014 -0.183898 -2.891008 ESP Fit Center 128 is at 2.674796 -0.068034 -2.891008 ESP Fit Center 129 is at 2.253221 -0.107099 -2.891008 ESP Fit Center 130 is at 1.874227 -0.295816 -2.891008 ESP Fit Center 131 is at 1.588997 -0.608698 -2.891008 ESP Fit Center 132 is at 1.436054 -1.003488 -2.891008 ESP Fit Center 133 is at 2.674796 -2.362323 -2.891008 ESP Fit Center 134 is at 3.082014 -2.246460 -2.891008 ESP Fit Center 135 is at 3.419879 -1.991316 -2.891008 ESP Fit Center 136 is at 3.642761 -1.631350 -2.891008 ESP Fit Center 137 is at 3.365701 -1.215179 -3.095884 ESP Fit Center 138 is at 3.258896 -0.816577 -3.095884 ESP Fit Center 139 is at 2.967099 -0.524780 -3.095884 ESP Fit Center 140 is at 2.568497 -0.417975 -3.095884 ESP Fit Center 141 is at 2.169896 -0.524780 -3.095884 ESP Fit Center 142 is at 1.878099 -0.816577 -3.095884 ESP Fit Center 143 is at 1.771294 -1.215179 -3.095884 ESP Fit Center 144 is at 1.878099 -1.613780 -3.095884 ESP Fit Center 145 is at 2.169896 -1.905577 -3.095884 ESP Fit Center 146 is at 2.568497 -2.012382 -3.095884 ESP Fit Center 147 is at 2.967099 -1.905577 -3.095884 ESP Fit Center 148 is at 3.258896 -1.613780 -3.095884 ESP Fit Center 149 is at 2.976004 -1.215179 -3.222504 ESP Fit Center 150 is at 2.772251 -0.862267 -3.222504 ESP Fit Center 151 is at 2.364744 -0.862267 -3.222504 ESP Fit Center 152 is at 2.160991 -1.215179 -3.222504 ESP Fit Center 153 is at 2.364744 -1.568090 -3.222504 ESP Fit Center 154 is at 2.772251 -1.568090 -3.222504 ESP Fit Center 155 is at 2.568497 -1.215179 -3.265334 ESP Fit Center 156 is at -2.422309 1.866786 2.258429 ESP Fit Center 157 is at -2.014802 1.866786 2.215598 ESP Fit Center 158 is at -2.218556 2.219697 2.215598 ESP Fit Center 159 is at -2.626063 2.219697 2.215598 ESP Fit Center 160 is at -2.829816 1.866786 2.215598 ESP Fit Center 161 is at -2.626063 1.513874 2.215598 ESP Fit Center 162 is at -2.218556 1.513874 2.215598 ESP Fit Center 163 is at -1.731910 2.265388 2.088978 ESP Fit Center 164 is at -2.023707 2.557184 2.088978 ESP Fit Center 165 is at -2.422309 2.663989 2.088978 ESP Fit Center 166 is at -2.820911 2.557184 2.088978 ESP Fit Center 167 is at -3.112708 2.265388 2.088978 ESP Fit Center 168 is at -3.219513 1.866786 2.088978 ESP Fit Center 169 is at -3.112708 1.468184 2.088978 ESP Fit Center 170 is at -2.820911 1.176387 2.088978 ESP Fit Center 171 is at -2.422309 1.069582 2.088978 ESP Fit Center 172 is at -1.570927 2.642923 1.884102 ESP Fit Center 173 is at -1.908792 2.898067 1.884102 ESP Fit Center 174 is at -2.316011 3.013930 1.884102 ESP Fit Center 175 is at -2.737585 2.974866 1.884102 ESP Fit Center 176 is at -3.116580 2.786149 1.884102 ESP Fit Center 177 is at -3.401810 2.473267 1.884102 ESP Fit Center 178 is at -3.554752 2.078476 1.884102 ESP Fit Center 179 is at -3.554752 1.655095 1.884102 ESP Fit Center 180 is at -3.401810 1.260305 1.884102 ESP Fit Center 181 is at -3.116580 0.947423 1.884102 ESP Fit Center 182 is at -2.737585 0.758706 1.884102 ESP Fit Center 183 is at -1.468463 2.967583 1.609925 ESP Fit Center 184 is at -1.817231 3.191723 1.609925 ESP Fit Center 185 is at -2.215019 3.308524 1.609925 ESP Fit Center 186 is at -2.629600 3.308524 1.609925 ESP Fit Center 187 is at -3.027388 3.191723 1.609925 ESP Fit Center 188 is at -3.376156 2.967583 1.609925 ESP Fit Center 189 is at -3.647649 2.654264 1.609925 ESP Fit Center 190 is at -3.819872 2.277147 1.609925 ESP Fit Center 191 is at -3.878873 1.866786 1.609925 ESP Fit Center 192 is at -3.819872 1.456424 1.609925 ESP Fit Center 193 is at -3.647649 1.079308 1.609925 ESP Fit Center 194 is at -3.376156 0.765988 1.609925 ESP Fit Center 195 is at -3.027388 0.541849 1.609925 ESP Fit Center 196 is at -1.512792 3.299956 1.278429 ESP Fit Center 197 is at -1.897781 3.481118 1.278429 ESP Fit Center 198 is at -2.315728 3.560846 1.278429 ESP Fit Center 199 is at -2.740372 3.534130 1.278429 ESP Fit Center 200 is at -3.145031 3.402648 1.278429 ESP Fit Center 201 is at -3.504279 3.174662 1.278429 ESP Fit Center 202 is at -3.795543 2.864498 1.278429 ESP Fit Center 203 is at -4.000521 2.491644 1.278429 ESP Fit Center 204 is at -4.106334 2.079527 1.278429 ESP Fit Center 205 is at -4.106334 1.654044 1.278429 ESP Fit Center 206 is at -4.000521 1.241927 1.278429 ESP Fit Center 207 is at -3.795543 0.869073 1.278429 ESP Fit Center 208 is at -3.504279 0.558909 1.278429 ESP Fit Center 209 is at -1.613519 3.546255 0.904102 ESP Fit Center 210 is at -2.007514 3.684120 0.904102 ESP Fit Center 211 is at -2.422309 3.730856 0.904102 ESP Fit Center 212 is at -2.837104 3.684120 0.904102 ESP Fit Center 213 is at -3.231099 3.546255 0.904102 ESP Fit Center 214 is at -3.584538 3.324175 0.904102 ESP Fit Center 215 is at -3.879698 3.029015 0.904102 ESP Fit Center 216 is at -4.101779 2.675576 0.904102 ESP Fit Center 217 is at -4.239644 2.281580 0.904102 ESP Fit Center 218 is at -4.286380 1.866786 0.904102 ESP Fit Center 219 is at -4.239644 1.451991 0.904102 ESP Fit Center 220 is at -4.101779 1.057996 0.904102 ESP Fit Center 221 is at -3.879698 0.704557 0.904102 ESP Fit Center 222 is at -1.900826 3.744998 0.503304 ESP Fit Center 223 is at -2.316778 3.813190 0.503304 ESP Fit Center 224 is at -2.737665 3.790370 0.503304 ESP Fit Center 225 is at -3.143806 3.677606 0.503304 ESP Fit Center 226 is at -3.516210 3.480169 0.503304 ESP Fit Center 227 is at -3.837465 3.207293 0.503304 ESP Fit Center 228 is at -4.092549 2.871736 0.503304 ESP Fit Center 229 is at -4.269534 2.489188 0.503304 ESP Fit Center 230 is at -4.360145 2.077538 0.503304 ESP Fit Center 231 is at -4.360145 1.656033 0.503304 ESP Fit Center 232 is at -4.269534 1.244383 0.503304 ESP Fit Center 233 is at -1.900826 3.744998 0.093553 ESP Fit Center 234 is at -2.316778 3.813190 0.093553 ESP Fit Center 235 is at -2.737665 3.790370 0.093553 ESP Fit Center 236 is at -3.143806 3.677606 0.093553 ESP Fit Center 237 is at -3.516210 3.480169 0.093553 ESP Fit Center 238 is at -3.837465 3.207293 0.093553 ESP Fit Center 239 is at -4.092549 2.871736 0.093553 ESP Fit Center 240 is at -4.269534 2.489188 0.093553 ESP Fit Center 241 is at -4.360145 2.077538 0.093553 ESP Fit Center 242 is at -4.360145 1.656033 0.093553 ESP Fit Center 243 is at -4.269534 1.244383 0.093553 ESP Fit Center 244 is at -2.007514 3.684120 -0.307245 ESP Fit Center 245 is at -2.422309 3.730856 -0.307245 ESP Fit Center 246 is at -2.837104 3.684120 -0.307245 ESP Fit Center 247 is at -3.231099 3.546255 -0.307245 ESP Fit Center 248 is at -3.584538 3.324175 -0.307245 ESP Fit Center 249 is at -3.879698 3.029015 -0.307245 ESP Fit Center 250 is at -4.101779 2.675576 -0.307245 ESP Fit Center 251 is at -4.239644 2.281580 -0.307245 ESP Fit Center 252 is at -4.286380 1.866786 -0.307245 ESP Fit Center 253 is at -4.239644 1.451991 -0.307245 ESP Fit Center 254 is at -1.897781 3.481118 -0.681571 ESP Fit Center 255 is at -2.315728 3.560846 -0.681571 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463 is at 2.014512 4.109016 0.451975 ESP Fit Center 464 is at 1.599717 4.062280 0.451975 ESP Fit Center 465 is at 1.205722 3.924415 0.451975 ESP Fit Center 466 is at 3.831847 1.830150 0.451975 ESP Fit Center 467 is at 3.963775 2.244945 0.051177 ESP Fit Center 468 is at 3.918202 2.663979 0.051177 ESP Fit Center 469 is at 3.783615 3.063419 0.051177 ESP Fit Center 470 is at 3.566307 3.424589 0.051177 ESP Fit Center 471 is at 3.276438 3.730599 0.051177 ESP Fit Center 472 is at 2.927563 3.967142 0.051177 ESP Fit Center 473 is at 2.535995 4.123157 0.051177 ESP Fit Center 474 is at 2.120043 4.191349 0.051177 ESP Fit Center 475 is at 1.699156 4.168529 0.051177 ESP Fit Center 476 is at 1.293015 4.055765 0.051177 ESP Fit Center 477 is at 3.918202 1.825911 0.051177 ESP Fit Center 478 is at 3.963775 2.244945 -0.358574 ESP Fit Center 479 is at 3.918202 2.663979 -0.358574 ESP Fit Center 480 is at 3.783615 3.063419 -0.358574 ESP Fit Center 481 is at 3.566307 3.424589 -0.358574 ESP Fit Center 482 is 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501 is at 3.658595 2.667074 -1.133699 ESP Fit Center 502 is at 3.501964 3.062678 -1.133699 ESP Fit Center 503 is at 3.251871 3.406902 -1.133699 ESP Fit Center 504 is at 2.924030 3.678115 -1.133699 ESP Fit Center 505 is at 2.539040 3.859278 -1.133699 ESP Fit Center 506 is at 2.121093 3.939005 -1.133699 ESP Fit Center 507 is at 1.696449 3.912289 -1.133699 ESP Fit Center 508 is at 1.291790 3.780807 -1.133699 ESP Fit Center 509 is at 0.932542 3.552822 -1.133699 ESP Fit Center 510 is at 3.658595 1.822816 -1.133699 ESP Fit Center 511 is at 3.471076 2.244945 -1.465195 ESP Fit Center 512 is at 3.412075 2.655306 -1.465195 ESP Fit Center 513 is at 3.239852 3.032423 -1.465195 ESP Fit Center 514 is at 2.968359 3.345742 -1.465195 ESP Fit Center 515 is at 2.619591 3.569882 -1.465195 ESP Fit Center 516 is at 2.221803 3.686683 -1.465195 ESP Fit Center 517 is at 1.807221 3.686683 -1.465195 ESP Fit Center 518 is at 1.409434 3.569882 -1.465195 ESP Fit Center 519 is at 1.060666 3.345742 -1.465195 ESP Fit 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ESP Fit Center 558 is at 2.041538 0.923202 1.783873 ESP Fit Center 559 is at 0.187392 0.751390 1.783873 ESP Fit Center 560 is at 2.428536 0.940013 1.522711 ESP Fit Center 561 is at 1.875306 0.539020 -1.902360 ESP Fit Center 562 is at 0.483369 0.539020 -1.902360 ESP Fit Center 563 is at 0.375703 0.137203 -1.902360 ESP Fit Center 564 is at 0.483369 -0.264615 -1.902360 ESP Fit Center 565 is at 0.777520 -0.558766 -1.902360 ESP Fit Center 566 is at 1.384183 0.492004 -2.021862 ESP Fit Center 567 is at 0.974493 0.492004 -2.021862 ESP Fit Center 568 is at 0.769648 0.137203 -2.021862 ESP Fit Center 569 is at 0.974493 -0.217599 -2.021862 ESP Fit Center 570 is at 1.179338 0.137203 -2.062213 ESP Fit Center 571 is at 0.033974 -0.662416 2.220034 ESP Fit Center 572 is at 0.443664 -0.662416 2.179683 ESP Fit Center 573 is at 0.238819 -0.307614 2.179683 ESP Fit Center 574 is at -0.170871 -0.307614 2.179683 ESP Fit Center 575 is at -0.375715 -0.662416 2.179683 ESP Fit Center 576 is at -0.170871 -1.017217 2.179683 ESP Fit Center 577 is at 0.238819 -1.017217 2.179683 ESP Fit Center 578 is at 0.837609 -0.662416 2.060181 ESP Fit Center 579 is at 0.729943 -0.260598 2.060181 ESP Fit Center 580 is at 0.435792 0.033553 2.060181 ESP Fit Center 581 is at 0.033974 0.141220 2.060181 ESP Fit Center 582 is at -0.661994 -1.064233 2.060181 ESP Fit Center 583 is at -0.367843 -1.358384 2.060181 ESP Fit Center 584 is at 0.033974 -1.466051 2.060181 ESP Fit Center 585 is at 0.435792 -1.358384 2.060181 ESP Fit Center 586 is at 0.729943 -1.064233 2.060181 ESP Fit Center 587 is at 0.141624 0.499305 1.866120 ESP Fit Center 588 is at -0.669118 -1.593460 1.866120 ESP Fit Center 589 is at -0.285308 -1.784575 1.866120 ESP Fit Center 590 is at 0.141624 -1.824136 1.866120 ESP Fit Center 591 is at 0.554016 -1.706800 1.866120 ESP Fit Center 592 is at -0.938444 -1.784646 -1.364890 ESP Fit Center 593 is at -0.582886 -2.013150 -1.364890 ESP Fit Center 594 is at -0.285308 0.459744 -1.626052 ESP Fit Center 595 is at -0.957972 -1.276603 -1.626052 ESP Fit Center 596 is at -0.669118 -1.593460 -1.626052 ESP Fit Center 597 is at -0.285308 -1.784575 -1.626052 ESP Fit Center 598 is at 0.141624 -1.824136 -1.626052 ESP Fit Center 599 is at 0.033974 0.141220 -1.820113 ESP Fit Center 600 is at -0.367843 0.033553 -1.820113 ESP Fit Center 601 is at -0.661994 -1.064233 -1.820113 ESP Fit Center 602 is at -0.367843 -1.358384 -1.820113 ESP Fit Center 603 is at 0.033974 -1.466051 -1.820113 ESP Fit Center 604 is at 0.443664 -0.662416 -1.939615 ESP Fit Center 605 is at 0.238819 -0.307614 -1.939615 ESP Fit Center 606 is at -0.170871 -0.307614 -1.939615 ESP Fit Center 607 is at -0.375715 -0.662416 -1.939615 ESP Fit Center 608 is at -0.170871 -1.017217 -1.939615 ESP Fit Center 609 is at 0.238819 -1.017217 -1.939615 ESP Fit Center 610 is at 0.033974 -0.662416 -1.979966 ESP Fit Center 611 is at -1.207492 -0.199427 2.271695 ESP Fit Center 612 is at -0.797802 -0.199427 2.231344 ESP Fit Center 613 is at -1.002647 0.155375 2.231344 ESP Fit Center 614 is at -1.412336 0.155375 2.231344 ESP Fit Center 615 is at -1.617181 -0.199427 2.231344 ESP Fit Center 616 is at -1.412336 -0.554228 2.231344 ESP Fit Center 617 is at -1.002647 -0.554228 2.231344 ESP Fit Center 618 is at -0.511523 0.202391 2.111842 ESP Fit Center 619 is at -0.805674 0.496542 2.111842 ESP Fit Center 620 is at -1.903460 0.202391 2.111842 ESP Fit Center 621 is at -0.805674 -0.895395 2.111842 ESP Fit Center 622 is at -0.345292 0.586572 1.917781 ESP Fit Center 623 is at -0.345292 0.586572 -1.574391 ESP Fit Center 624 is at -1.099842 -1.361147 -1.574391 ESP Fit Center 625 is at -0.511523 0.202391 -1.768452 ESP Fit Center 626 is at -0.805674 0.496542 -1.768452 ESP Fit Center 627 is at -1.207492 -1.003062 -1.768452 ESP Fit Center 628 is at -0.797802 -0.199427 -1.887954 ESP Fit Center 629 is at -1.002647 0.155375 -1.887954 ESP Fit Center 630 is at -1.412336 0.155375 -1.887954 ESP Fit Center 631 is at -1.412336 -0.554228 -1.887954 ESP Fit Center 632 is at -1.002647 -0.554228 -1.887954 ESP Fit Center 633 is at -1.207492 -0.199427 -1.928305 ESP Fit Center 634 is at 3.410092 0.677172 1.426776 ESP Fit Center 635 is at 3.920146 0.720610 1.258943 ESP Fit Center 636 is at 3.612684 1.028072 1.258943 ESP Fit Center 637 is at 3.192684 1.140610 1.258943 ESP Fit Center 638 is at 4.380624 0.300610 0.991960 ESP Fit Center 639 is at 4.300405 0.729744 0.991960 ESP Fit Center 640 is at 4.070582 1.100920 0.991960 ESP Fit Center 641 is at 3.722195 1.364010 0.991960 ESP Fit Center 642 is at 4.647607 0.300610 0.644021 ESP Fit Center 643 is at 4.582969 0.729456 0.644021 ESP Fit Center 644 is at 4.394798 1.120197 0.644021 ESP Fit Center 645 is at 4.099814 1.438115 0.644021 ESP Fit Center 646 is at 3.724227 1.654960 0.644021 ESP Fit Center 647 is at 4.582969 -0.128236 0.644021 ESP Fit Center 648 is at 4.815440 0.300610 0.238837 ESP Fit Center 649 is at 4.760146 0.720610 0.238837 ESP Fit Center 650 is at 4.598032 1.111988 0.238837 ESP Fit Center 651 is at 4.340146 1.448072 0.238837 ESP Fit Center 652 is at 4.004062 1.705958 0.238837 ESP Fit Center 653 is at 4.760146 -0.119390 0.238837 ESP Fit Center 654 is at 4.872684 0.300610 -0.195979 ESP Fit Center 655 is at 4.819904 0.718409 -0.195979 ESP Fit Center 656 is at 4.664880 1.109956 -0.195979 ESP Fit Center 657 is at 4.417352 1.450649 -0.195979 ESP Fit Center 658 is at 4.092873 1.719081 -0.195979 ESP Fit Center 659 is at 4.664880 -0.508736 -0.195979 ESP Fit Center 660 is at 4.819904 -0.117189 -0.195979 ESP Fit Center 661 is at 4.815440 0.300610 -0.630795 ESP Fit Center 662 is at 4.760146 0.720610 -0.630795 ESP Fit Center 663 is at 4.598032 1.111988 -0.630795 ESP Fit Center 664 is at 4.340146 1.448072 -0.630795 ESP Fit Center 665 is at 4.004062 1.705958 -0.630795 ESP Fit Center 666 is at 4.598032 -0.510767 -0.630795 ESP Fit Center 667 is at 4.760146 -0.119390 -0.630795 ESP Fit Center 668 is at 4.647607 0.300610 -1.035979 ESP Fit Center 669 is at 4.582969 0.729456 -1.035979 ESP Fit Center 670 is at 4.394798 1.120197 -1.035979 ESP Fit Center 671 is at 4.099814 1.438115 -1.035979 ESP Fit Center 672 is at 3.724227 1.654960 -1.035979 ESP Fit Center 673 is at 4.394798 -0.518977 -1.035979 ESP Fit Center 674 is at 4.582969 -0.128236 -1.035979 ESP Fit Center 675 is at 4.380624 0.300610 -1.383919 ESP Fit Center 676 is at 4.300405 0.729744 -1.383919 ESP Fit Center 677 is at 4.070582 1.100920 -1.383919 ESP Fit Center 678 is at 3.722195 1.364010 -1.383919 ESP Fit Center 679 is at 4.300405 -0.128523 -1.383919 ESP Fit Center 680 is at 4.032684 0.300610 -1.650902 ESP Fit Center 681 is at 3.920146 0.720610 -1.650902 ESP Fit Center 682 is at 3.612684 1.028072 -1.650902 ESP Fit Center 683 is at 3.192684 1.140610 -1.650902 ESP Fit Center 684 is at 2.772684 1.028072 -1.650902 ESP Fit Center 685 is at 3.410092 0.677172 -1.818735 ESP Fit Center 686 is at 2.975276 0.677172 -1.818735 ESP Fit Center 687 is at 4.248324 -1.786271 2.578183 ESP Fit Center 688 is at 4.653508 -1.786271 2.410350 ESP Fit Center 689 is at 4.540969 -1.366271 2.410350 ESP Fit Center 690 is at 4.233508 -2.513733 2.410350 ESP Fit Center 691 is at 4.540969 -2.206271 2.410350 ESP Fit Center 692 is at 5.001447 -1.786271 2.143367 ESP Fit Center 693 is at 4.921228 -1.357138 2.143367 ESP Fit Center 694 is at 4.691406 -0.985962 2.143367 ESP Fit Center 695 is at 3.923117 -2.969143 2.143367 ESP Fit Center 696 is at 4.343018 -2.849671 2.143367 ESP Fit Center 697 is at 4.691406 -2.586581 2.143367 ESP Fit Center 698 is at 4.921228 -2.215405 2.143367 ESP Fit Center 699 is at 5.268431 -1.786271 1.795427 ESP Fit Center 700 is at 5.203793 -1.357425 1.795427 ESP Fit Center 701 is at 5.015622 -0.966684 1.795427 ESP Fit Center 702 is at 4.720637 -0.648767 1.795427 ESP Fit Center 703 is at 3.922235 -3.237126 1.795427 ESP Fit Center 704 is at 4.345051 -3.140621 1.795427 ESP Fit Center 705 is at 4.720637 -2.923776 1.795427 ESP Fit Center 706 is at 5.015622 -2.605858 1.795427 ESP Fit Center 707 is at 5.203793 -2.215117 1.795427 ESP Fit Center 708 is at 5.436263 -1.786271 1.390243 ESP Fit Center 709 is at 5.380969 -1.366271 1.390243 ESP Fit Center 710 is at 5.218855 -0.974894 1.390243 ESP Fit Center 711 is at 4.960969 -0.638810 1.390243 ESP Fit Center 712 is at 3.813508 -3.409027 1.390243 ESP Fit Center 713 is at 4.233508 -3.353733 1.390243 ESP Fit Center 714 is at 4.624886 -3.191619 1.390243 ESP Fit Center 715 is at 4.960969 -2.933733 1.390243 ESP Fit Center 716 is at 5.218855 -2.597649 1.390243 ESP Fit Center 717 is at 5.380969 -2.206271 1.390243 ESP Fit Center 718 is at 5.493508 -1.786271 0.955427 ESP Fit Center 719 is at 5.440728 -1.368472 0.955427 ESP Fit Center 720 is at 5.285703 -0.976925 0.955427 ESP Fit Center 721 is at 5.038175 -0.636232 0.955427 ESP Fit Center 722 is at 4.713697 -0.367800 0.955427 ESP Fit Center 723 is at 3.498707 -3.436514 0.955427 ESP Fit Center 724 is at 3.918996 -3.462956 0.955427 ESP Fit Center 725 is at 4.332657 -3.384046 0.955427 ESP Fit Center 726 is at 4.713697 -3.204742 0.955427 ESP Fit Center 727 is at 5.038175 -2.936310 0.955427 ESP Fit Center 728 is at 5.285703 -2.595618 0.955427 ESP Fit Center 729 is at 5.440728 -2.204070 0.955427 ESP Fit Center 730 is at 5.436263 -1.786271 0.520611 ESP Fit Center 731 is at 5.380969 -1.366271 0.520611 ESP Fit Center 732 is at 5.218855 -0.974894 0.520611 ESP Fit Center 733 is at 4.960969 -0.638810 0.520611 ESP Fit Center 734 is at 4.624886 -0.380924 0.520611 ESP Fit Center 735 is at 3.393508 -3.353733 0.520611 ESP Fit Center 736 is at 3.813508 -3.409027 0.520611 ESP Fit Center 737 is at 4.233508 -3.353733 0.520611 ESP Fit Center 738 is at 4.624886 -3.191619 0.520611 ESP Fit Center 739 is at 4.960969 -2.933733 0.520611 ESP Fit Center 740 is at 5.218855 -2.597649 0.520611 ESP Fit Center 741 is at 5.380969 -2.206271 0.520611 ESP Fit Center 742 is at 5.268431 -1.786271 0.115427 ESP Fit Center 743 is at 5.203793 -1.357425 0.115427 ESP Fit Center 744 is at 5.015622 -0.966684 0.115427 ESP Fit Center 745 is at 4.720637 -0.648767 0.115427 ESP Fit Center 746 is at 3.489757 -3.204716 0.115427 ESP Fit Center 747 is at 3.922235 -3.237126 0.115427 ESP Fit Center 748 is at 4.345051 -3.140621 0.115427 ESP Fit Center 749 is at 4.720637 -2.923776 0.115427 ESP Fit Center 750 is at 5.015622 -2.605858 0.115427 ESP Fit Center 751 is at 5.203793 -2.215117 0.115427 ESP Fit Center 752 is at 5.001447 -1.786271 -0.232512 ESP Fit Center 753 is at 4.921228 -1.357138 -0.232512 ESP Fit Center 754 is at 4.691406 -0.985962 -0.232512 ESP Fit Center 755 is at 3.488413 -2.928862 -0.232512 ESP Fit Center 756 is at 3.923117 -2.969143 -0.232512 ESP Fit Center 757 is at 4.343018 -2.849671 -0.232512 ESP Fit Center 758 is at 4.691406 -2.586581 -0.232512 ESP Fit Center 759 is at 4.921228 -2.215405 -0.232512 ESP Fit Center 760 is at 4.653508 -1.786271 -0.499495 ESP Fit Center 761 is at 4.540969 -1.366271 -0.499495 ESP Fit Center 762 is at 3.813508 -2.626271 -0.499495 ESP Fit Center 763 is at 4.233508 -2.513733 -0.499495 ESP Fit Center 764 is at 4.540969 -2.206271 -0.499495 ESP Fit Center 765 is at 2.805446 -0.783017 3.681329 ESP Fit Center 766 is at 3.240262 -0.783017 3.624084 ESP Fit Center 767 is at 3.022854 -0.406456 3.624084 ESP Fit Center 768 is at 2.588038 -0.406456 3.624084 ESP Fit Center 769 is at 2.370630 -0.783017 3.624084 ESP Fit Center 770 is at 2.588038 -1.159579 3.624084 ESP Fit Center 771 is at 3.022854 -1.159579 3.624084 ESP Fit Center 772 is at 3.645446 -0.783017 3.456252 ESP Fit Center 773 is at 3.532907 -0.363017 3.456252 ESP Fit Center 774 is at 3.225446 -0.055556 3.456252 ESP Fit Center 775 is at 2.805446 0.056983 3.456252 ESP Fit Center 776 is at 2.385446 -0.055556 3.456252 ESP Fit Center 777 is at 2.077985 -0.363017 3.456252 ESP Fit Center 778 is at 1.965446 -0.783017 3.456252 ESP Fit Center 779 is at 2.077985 -1.203017 3.456252 ESP Fit Center 780 is at 2.385446 -1.510479 3.456252 ESP Fit Center 781 is at 2.805446 -1.623017 3.456252 ESP Fit Center 782 is at 3.225446 -1.510479 3.456252 ESP Fit Center 783 is at 3.532907 -1.203017 3.456252 ESP Fit Center 784 is at 3.993386 -0.783017 3.189268 ESP Fit Center 785 is at 3.913167 -0.353884 3.189268 ESP Fit Center 786 is at 3.683344 0.017292 3.189268 ESP Fit Center 787 is at 3.334956 0.280382 3.189268 ESP Fit Center 788 is at 2.915055 0.399855 3.189268 ESP Fit Center 789 is at 2.480351 0.359573 3.189268 ESP Fit Center 790 is at 2.089553 0.164979 3.189268 ESP Fit Center 791 is at 1.795440 -0.157648 3.189268 ESP Fit Center 792 is at 1.637734 -0.564734 3.189268 ESP Fit Center 793 is at 1.637734 -1.001301 3.189268 ESP Fit Center 794 is at 1.795440 -1.408387 3.189268 ESP Fit Center 795 is at 2.089553 -1.731013 3.189268 ESP Fit Center 796 is at 2.480351 -1.925608 3.189268 ESP Fit Center 797 is at 2.915055 -1.965889 3.189268 ESP Fit Center 798 is at 3.334956 -1.846417 3.189268 ESP Fit Center 799 is at 3.683344 -1.583327 3.189268 ESP Fit Center 800 is at 3.913167 -1.212150 3.189268 ESP Fit Center 801 is at 4.260369 -0.783017 2.841329 ESP Fit Center 802 is at 4.195731 -0.354171 2.841329 ESP Fit Center 803 is at 4.007560 0.036570 2.841329 ESP Fit Center 804 is at 3.712576 0.354487 2.841329 ESP Fit Center 805 is at 3.336989 0.571332 2.841329 ESP Fit Center 806 is at 2.914173 0.667837 2.841329 ESP Fit Center 807 is at 2.481695 0.635427 2.841329 ESP Fit Center 808 is at 2.077985 0.476983 2.841329 ESP Fit Center 809 is at 1.738912 0.206581 2.841329 ESP Fit Center 810 is at 1.494606 -0.151750 2.841329 ESP Fit Center 811 is at 1.366774 -0.566172 2.841329 ESP Fit Center 812 is at 1.366774 -0.999862 2.841329 ESP Fit Center 813 is at 1.494606 -1.414285 2.841329 ESP Fit Center 814 is at 4.007560 -1.602604 2.841329 ESP Fit Center 815 is at 4.195731 -1.211863 2.841329 ESP Fit Center 816 is at 4.428202 -0.783017 2.436145 ESP Fit Center 817 is at 4.372907 -0.363017 2.436145 ESP Fit Center 818 is at 4.210794 0.028360 2.436145 ESP Fit Center 819 is at 3.952907 0.364444 2.436145 ESP Fit Center 820 is at 3.616824 0.622330 2.436145 ESP Fit Center 821 is at 3.225446 0.784444 2.436145 ESP Fit Center 822 is at 2.805446 0.839738 2.436145 ESP Fit Center 823 is at 2.385446 0.784444 2.436145 ESP Fit Center 824 is at 1.994068 0.622330 2.436145 ESP Fit Center 825 is at 1.657985 0.364444 2.436145 ESP Fit Center 826 is at 1.400099 0.028360 2.436145 ESP Fit Center 827 is at 1.237985 -0.363017 2.436145 ESP Fit Center 828 is at 1.182691 -0.783017 2.436145 ESP Fit Center 829 is at 4.432666 -0.365218 2.001329 ESP Fit Center 830 is at 4.277641 0.026329 2.001329 ESP Fit Center 831 is at 4.030113 0.367022 2.001329 ESP Fit Center 832 is at 3.705635 0.635454 2.001329 ESP Fit Center 833 is at 3.324595 0.814758 2.001329 ESP Fit Center 834 is at 2.910934 0.893668 2.001329 ESP Fit Center 835 is at 2.490646 0.867225 2.001329 ESP Fit Center 836 is at 2.090137 0.737092 2.001329 ESP Fit Center 837 is at 3.952907 0.364444 1.566513 ESP Fit Center 838 is at 3.616824 0.622330 1.566513 ESP Fit Center 839 is at 3.225446 0.784444 1.566513 ESP Fit Center 840 is at 2.805446 0.839738 1.566513 ESP Fit Center 841 is at -0.074584 3.330225 1.628452 ESP Fit Center 842 is at -0.509400 3.330225 1.628452 ESP Fit Center 843 is at 0.435469 3.373663 1.460619 ESP Fit Center 844 is at 0.128008 3.681124 1.460619 ESP Fit Center 845 is at -0.291992 3.793663 1.460619 ESP Fit Center 846 is at -0.711992 3.681124 1.460619 ESP Fit Center 847 is at -1.019453 3.373663 1.460619 ESP Fit Center 848 is at 0.815728 3.382796 1.193636 ESP Fit Center 849 is at 0.585906 3.753972 1.193636 ESP Fit Center 850 is at 0.237518 4.017063 1.193636 ESP Fit Center 851 is at -0.182383 4.136535 1.193636 ESP Fit Center 852 is at -0.617087 4.096253 1.193636 ESP Fit Center 853 is at -1.007886 3.901659 1.193636 ESP Fit Center 854 is at -1.301999 3.579032 1.193636 ESP Fit Center 855 is at 0.910121 3.773250 0.845696 ESP Fit Center 856 is at 0.615137 4.091167 0.845696 ESP Fit Center 857 is at 0.239551 4.308012 0.845696 ESP Fit Center 858 is at -0.183266 4.404517 0.845696 ESP Fit Center 859 is at -0.615743 4.372108 0.845696 ESP Fit Center 860 is at -1.019453 4.213663 0.845696 ESP Fit Center 861 is at -1.358526 3.943262 0.845696 ESP Fit Center 862 is at -1.602832 3.584930 0.845696 ESP Fit Center 863 is at 0.855469 4.101124 0.440512 ESP Fit Center 864 is at 0.519386 4.359010 0.440512 ESP Fit Center 865 is at 0.128008 4.521124 0.440512 ESP Fit Center 866 is at -0.291992 4.576418 0.440512 ESP Fit Center 867 is at -0.711992 4.521124 0.440512 ESP Fit Center 868 is at -1.103370 4.359010 0.440512 ESP Fit Center 869 is at -1.439453 4.101124 0.440512 ESP Fit Center 870 is at -1.697340 3.765041 0.440512 ESP Fit Center 871 is at 0.932675 4.103702 0.005696 ESP Fit Center 872 is at 0.608197 4.372134 0.005696 ESP Fit Center 873 is at 0.227156 4.551438 0.005696 ESP Fit Center 874 is at -0.186504 4.630348 0.005696 ESP Fit Center 875 is at -0.606793 4.603905 0.005696 ESP Fit Center 876 is at -1.007301 4.473772 0.005696 ESP Fit Center 877 is at -1.362864 4.248125 0.005696 ESP Fit Center 878 is at -1.651141 3.941142 0.005696 ESP Fit Center 879 is at 0.855469 4.101124 -0.429120 ESP Fit Center 880 is at 0.519386 4.359010 -0.429120 ESP Fit Center 881 is at 0.128008 4.521124 -0.429120 ESP Fit Center 882 is at -0.291992 4.576418 -0.429120 ESP Fit Center 883 is at -0.711992 4.521124 -0.429120 ESP Fit Center 884 is at -1.103370 4.359010 -0.429120 ESP Fit Center 885 is at -1.439453 4.101124 -0.429120 ESP Fit Center 886 is at -1.697340 3.765041 -0.429120 ESP Fit Center 887 is at 0.910121 3.773250 -0.834304 ESP Fit Center 888 is at 0.615137 4.091167 -0.834304 ESP Fit Center 889 is at 0.239551 4.308012 -0.834304 ESP Fit Center 890 is at -0.183266 4.404517 -0.834304 ESP Fit Center 891 is at -0.615743 4.372108 -0.834304 ESP Fit Center 892 is at -1.019453 4.213663 -0.834304 ESP Fit Center 893 is at -1.358526 3.943262 -0.834304 ESP Fit Center 894 is at -1.602832 3.584930 -0.834304 ESP Fit Center 895 is at 0.585906 3.753972 -1.182243 ESP Fit Center 896 is at 0.237518 4.017063 -1.182243 ESP Fit Center 897 is at -0.182383 4.136535 -1.182243 ESP Fit Center 898 is at -0.617087 4.096253 -1.182243 ESP Fit Center 899 is at -1.007886 3.901659 -1.182243 ESP Fit Center 900 is at -1.301999 3.579032 -1.182243 ESP Fit Center 901 is at -1.459705 3.171946 -1.182243 ESP Fit Center 902 is at 0.435469 3.373663 -1.449226 ESP Fit Center 903 is at 0.128008 3.681124 -1.449226 ESP Fit Center 904 is at -0.291992 3.793663 -1.449226 ESP Fit Center 905 is at -0.711992 3.681124 -1.449226 ESP Fit Center 906 is at -1.019453 3.373663 -1.449226 ESP Fit Center 907 is at -0.074584 3.330225 -1.617059 ESP Fit Center 908 is at -0.509400 3.330225 -1.617059 ESP Fit Center 909 is at -0.069865 -2.102071 1.774939 ESP Fit Center 910 is at 0.364951 -2.102071 1.774939 ESP Fit Center 911 is at -0.272457 -2.452971 1.607106 ESP Fit Center 912 is at 0.147543 -2.565510 1.607106 ESP Fit Center 913 is at -0.177552 -2.868100 1.340123 ESP Fit Center 914 is at 0.257152 -2.908381 1.340123 ESP Fit Center 915 is at -0.176208 -3.143954 0.992183 ESP Fit Center 916 is at 0.256269 -3.176364 0.992183 ESP Fit Center 917 is at 0.679086 -3.079859 0.992183 ESP Fit Center 918 is at 0.147543 -3.348265 0.586999 ESP Fit Center 919 is at 0.567543 -3.292971 0.586999 ESP Fit Center 920 is at -0.167258 -3.375752 0.152183 ESP Fit Center 921 is at 0.253031 -3.402195 0.152183 ESP Fit Center 922 is at 0.666691 -3.323285 0.152183 ESP Fit Center 923 is at 1.047732 -3.143981 0.152183 ESP Fit Center 924 is at -0.272457 -3.292971 -0.282633 ESP Fit Center 925 is at 0.147543 -3.348265 -0.282633 ESP Fit Center 926 is at 0.567543 -3.292971 -0.282633 ESP Fit Center 927 is at 0.958921 -3.130857 -0.282633 ESP Fit Center 928 is at -0.176208 -3.143954 -0.687817 ESP Fit Center 929 is at 0.256269 -3.176364 -0.687817 ESP Fit Center 930 is at 0.679086 -3.079859 -0.687817 ESP Fit Center 931 is at -0.177552 -2.868100 -1.035756 ESP Fit Center 932 is at 0.257152 -2.908381 -1.035756 ESP Fit Center 933 is at -0.579918 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ESP Fit Center 1081 is at 0.441584 -1.650705 -2.183565 ESP Fit Center 1082 is at 0.441584 -2.084395 -2.183565 ESP Fit Center 1083 is at 0.569416 -2.498817 -2.183565 ESP Fit Center 1084 is at 0.813722 -2.857149 -2.183565 ESP Fit Center 1085 is at 1.152795 -3.127550 -2.183565 ESP Fit Center 1086 is at 1.556505 -3.285995 -2.183565 ESP Fit Center 1087 is at 1.988982 -3.318404 -2.183565 ESP Fit Center 1088 is at 2.411799 -3.221899 -2.183565 ESP Fit Center 1089 is at 2.787385 -3.005054 -2.183565 ESP Fit Center 1090 is at 0.870250 -1.242181 -2.531505 ESP Fit Center 1091 is at 0.712544 -1.649267 -2.531505 ESP Fit Center 1092 is at 0.712544 -2.085833 -2.531505 ESP Fit Center 1093 is at 0.870250 -2.492920 -2.531505 ESP Fit Center 1094 is at 1.164363 -2.815546 -2.531505 ESP Fit Center 1095 is at 1.555161 -3.010141 -2.531505 ESP Fit Center 1096 is at 1.989865 -3.050422 -2.531505 ESP Fit Center 1097 is at 2.409766 -2.930950 -2.531505 ESP Fit Center 1098 is at 1.152795 -1.447550 -2.798488 ESP Fit 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ESP Fit Center 1171 is at -2.295065 0.007748 -2.395671 ESP Fit Center 1172 is at -2.632930 0.262892 -2.395671 ESP Fit Center 1173 is at -3.040149 0.378755 -2.395671 ESP Fit Center 1174 is at -3.461723 0.339691 -2.395671 ESP Fit Center 1175 is at -3.840718 0.150974 -2.395671 ESP Fit Center 1176 is at -4.125948 -0.161908 -2.395671 ESP Fit Center 1177 is at -4.278890 -0.556699 -2.395671 ESP Fit Center 1178 is at -4.278890 -0.980080 -2.395671 ESP Fit Center 1179 is at -4.125948 -1.374870 -2.395671 ESP Fit Center 1180 is at -3.840718 -1.687752 -2.395671 ESP Fit Center 1181 is at -3.461723 -1.876469 -2.395671 ESP Fit Center 1182 is at -3.040149 -1.915534 -2.395671 ESP Fit Center 1183 is at -2.632930 -1.799670 -2.395671 ESP Fit Center 1184 is at -2.295065 -1.544526 -2.395671 ESP Fit Center 1185 is at -2.072184 -1.184561 -2.395671 ESP Fit Center 1186 is at -2.349243 -0.768389 -2.600547 ESP Fit Center 1187 is at -2.456048 -0.369787 -2.600547 ESP Fit Center 1188 is at -2.747845 -0.077990 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1.863564 ESP Fit Center 1225 is at -1.806431 -3.495139 1.863564 ESP Fit Center 1226 is at -1.399213 -3.379276 1.863564 ESP Fit Center 1227 is at -1.061348 -3.124132 1.863564 ESP Fit Center 1228 is at -0.838467 -2.764166 1.863564 ESP Fit Center 1229 is at -3.310293 -2.758356 1.589387 ESP Fit Center 1230 is at -3.138069 -3.135473 1.589387 ESP Fit Center 1231 is at -2.866576 -3.448792 1.589387 ESP Fit Center 1232 is at -2.517808 -3.672932 1.589387 ESP Fit Center 1233 is at -2.120021 -3.789733 1.589387 ESP Fit Center 1234 is at -1.705439 -3.789733 1.589387 ESP Fit Center 1235 is at -1.307651 -3.672932 1.589387 ESP Fit Center 1236 is at -0.958883 -3.448792 1.589387 ESP Fit Center 1237 is at -0.687390 -3.135473 1.589387 ESP Fit Center 1238 is at -0.515167 -2.758356 1.589387 ESP Fit Center 1239 is at -3.596755 -2.560737 1.257891 ESP Fit Center 1240 is at -3.490942 -2.972853 1.257891 ESP Fit Center 1241 is at -3.285963 -3.345707 1.257891 ESP Fit Center 1242 is at -2.994700 -3.655871 1.257891 ESP Fit Center 1243 is at -2.635452 -3.883857 1.257891 ESP Fit Center 1244 is at -2.230793 -4.015339 1.257891 ESP Fit Center 1245 is at -1.806149 -4.042055 1.257891 ESP Fit Center 1246 is at -1.388201 -3.962327 1.257891 ESP Fit Center 1247 is at -1.003212 -3.781165 1.257891 ESP Fit Center 1248 is at -0.675371 -3.509952 1.257891 ESP Fit Center 1249 is at -0.425278 -3.165728 1.257891 ESP Fit Center 1250 is at -3.730064 -2.762789 0.883564 ESP Fit Center 1251 is at -3.592200 -3.156785 0.883564 ESP Fit Center 1252 is at -3.370119 -3.510224 0.883564 ESP Fit Center 1253 is at -3.074959 -3.805384 0.883564 ESP Fit Center 1254 is at -2.721520 -4.027464 0.883564 ESP Fit Center 1255 is at -2.327525 -4.165329 0.883564 ESP Fit Center 1256 is at -1.912730 -4.212065 0.883564 ESP Fit Center 1257 is at -1.497935 -4.165329 0.883564 ESP Fit Center 1258 is at -1.103940 -4.027464 0.883564 ESP Fit Center 1259 is at -0.750501 -3.805384 0.883564 ESP Fit Center 1260 is at -0.455341 -3.510224 0.883564 ESP Fit Center 1261 is at -3.850566 -2.558747 0.482767 ESP Fit Center 1262 is at -3.759955 -2.970397 0.482767 ESP Fit Center 1263 is at -3.582970 -3.352945 0.482767 ESP Fit Center 1264 is at -3.327886 -3.688502 0.482767 ESP Fit Center 1265 is at -3.006631 -3.961378 0.482767 ESP Fit Center 1266 is at -2.634226 -4.158815 0.482767 ESP Fit Center 1267 is at -2.228086 -4.271579 0.482767 ESP Fit Center 1268 is at -1.807199 -4.294399 0.482767 ESP Fit Center 1269 is at -1.391247 -4.226207 0.482767 ESP Fit Center 1270 is at -0.999679 -4.070192 0.482767 ESP Fit Center 1271 is at -0.650804 -3.833649 0.482767 ESP Fit Center 1272 is at -0.360935 -3.527638 0.482767 ESP Fit Center 1273 is at -3.850566 -2.558747 0.073015 ESP Fit Center 1274 is at -3.759955 -2.970397 0.073015 ESP Fit Center 1275 is at -3.582970 -3.352945 0.073015 ESP Fit Center 1276 is at -3.327886 -3.688502 0.073015 ESP Fit Center 1277 is at -3.006631 -3.961378 0.073015 ESP Fit Center 1278 is at -2.634226 -4.158815 0.073015 ESP Fit Center 1279 is at -2.228086 -4.271579 0.073015 ESP Fit Center 1280 is at -1.807199 -4.294399 0.073015 ESP Fit Center 1281 is at -1.391247 -4.226207 0.073015 ESP Fit Center 1282 is at -0.999679 -4.070192 0.073015 ESP Fit Center 1283 is at -0.650804 -3.833649 0.073015 ESP Fit Center 1284 is at -0.360935 -3.527638 0.073015 ESP Fit Center 1285 is at -3.730064 -2.762789 -0.327783 ESP Fit Center 1286 is at -3.592200 -3.156785 -0.327783 ESP Fit Center 1287 is at -3.370119 -3.510224 -0.327783 ESP Fit Center 1288 is at -3.074959 -3.805384 -0.327783 ESP Fit Center 1289 is at -2.721520 -4.027464 -0.327783 ESP Fit Center 1290 is at -2.327525 -4.165329 -0.327783 ESP Fit Center 1291 is at -1.912730 -4.212065 -0.327783 ESP Fit Center 1292 is at -1.497935 -4.165329 -0.327783 ESP Fit Center 1293 is at -1.103940 -4.027464 -0.327783 ESP Fit Center 1294 is at -0.750501 -3.805384 -0.327783 ESP Fit Center 1295 is at -0.455341 -3.510224 -0.327783 ESP Fit Center 1296 is at -3.490942 -2.972853 -0.702109 ESP Fit Center 1297 is at -3.285963 -3.345707 -0.702109 ESP Fit Center 1298 is at -2.994700 -3.655871 -0.702109 ESP Fit Center 1299 is at -2.635452 -3.883857 -0.702109 ESP Fit Center 1300 is at -2.230793 -4.015339 -0.702109 ESP Fit Center 1301 is at -1.806149 -4.042055 -0.702109 ESP Fit Center 1302 is at -1.388201 -3.962327 -0.702109 ESP Fit Center 1303 is at -1.003212 -3.781165 -0.702109 ESP Fit Center 1304 is at -0.675371 -3.509952 -0.702109 ESP Fit Center 1305 is at -0.425278 -3.165728 -0.702109 ESP Fit Center 1306 is at -3.310293 -2.758356 -1.033605 ESP Fit Center 1307 is at -3.138069 -3.135473 -1.033605 ESP Fit Center 1308 is at -2.866576 -3.448792 -1.033605 ESP Fit Center 1309 is at -2.517808 -3.672932 -1.033605 ESP Fit Center 1310 is at -2.120021 -3.789733 -1.033605 ESP Fit Center 1311 is at -1.705439 -3.789733 -1.033605 ESP Fit Center 1312 is at -1.307651 -3.672932 -1.033605 ESP Fit Center 1313 is at -0.958883 -3.448792 -1.033605 ESP Fit Center 1314 is at -0.687390 -3.135473 -1.033605 ESP Fit Center 1315 is at -0.515167 -2.758356 -1.033605 ESP Fit Center 1316 is at -0.760671 -2.347995 -1.307783 ESP Fit Center 1317 is at -0.838467 -1.931823 -1.307783 ESP Fit Center 1318 is at -2.892230 -2.954476 -1.307783 ESP Fit Center 1319 is at -2.607001 -3.267358 -1.307783 ESP Fit Center 1320 is at -2.228006 -3.456075 -1.307783 ESP Fit Center 1321 is at -1.806431 -3.495139 -1.307783 ESP Fit Center 1322 is at -1.399213 -3.379276 -1.307783 ESP Fit Center 1323 is at -1.061348 -3.124132 -1.307783 ESP Fit Center 1324 is at -0.838467 -2.764166 -1.307783 ESP Fit Center 1325 is at -1.115526 -2.347995 -1.512658 ESP Fit Center 1326 is at -1.222331 -1.949393 -1.512658 ESP Fit Center 1327 is at -2.603129 -2.746597 -1.512658 ESP Fit Center 1328 is at -2.311332 -3.038393 -1.512658 ESP Fit Center 1329 is at -1.912730 -3.145198 -1.512658 ESP Fit Center 1330 is at -1.514128 -3.038393 -1.512658 ESP Fit Center 1331 is at -1.222331 -2.746597 -1.512658 ESP Fit Center 1332 is at -1.505223 -2.347995 -1.639279 ESP Fit Center 1333 is at -1.708976 -1.995083 -1.639279 ESP Fit Center 1334 is at -2.320237 -2.347995 -1.639279 ESP Fit Center 1335 is at -2.116483 -2.700906 -1.639279 ESP Fit Center 1336 is at -1.708976 -2.700906 -1.639279 ESP Fit Center 1337 is at -1.912730 -2.347995 -1.682109 ESP Fit Center 1338 is at -4.138389 -0.029771 1.216686 ESP Fit Center 1339 is at -4.355797 -0.406332 1.216686 ESP Fit Center 1340 is at -3.920981 0.433668 1.048853 ESP Fit Center 1341 is at -4.340981 0.321129 1.048853 ESP Fit Center 1342 is at -4.648443 0.013668 1.048853 ESP Fit Center 1343 is at -4.760981 -0.406332 1.048853 ESP Fit Center 1344 is at -4.648443 -0.826332 1.048853 ESP Fit Center 1345 is at -4.340981 -1.133794 1.048853 ESP Fit Center 1346 is at -4.246076 0.736258 0.781870 ESP Fit Center 1347 is at -4.636875 0.541664 0.781870 ESP Fit Center 1348 is at -4.930988 0.219037 0.781870 ESP Fit Center 1349 is at -5.088694 -0.188049 0.781870 ESP Fit Center 1350 is at -5.088694 -0.624616 0.781870 ESP Fit Center 1351 is at -4.930988 -1.031702 0.781870 ESP Fit Center 1352 is at -4.636875 -1.354329 0.781870 ESP Fit Center 1353 is at -4.244732 1.012112 0.433930 ESP Fit Center 1354 is at -4.648443 0.853668 0.433930 ESP Fit Center 1355 is at -4.987515 0.583266 0.433930 ESP Fit Center 1356 is at -5.231821 0.224935 0.433930 ESP Fit Center 1357 is at -5.359654 -0.189488 0.433930 ESP Fit Center 1358 is at -5.359654 -0.623177 0.433930 ESP Fit Center 1359 is at -5.231821 -1.037600 0.433930 ESP Fit Center 1360 is at -4.987515 -1.395931 0.433930 ESP Fit Center 1361 is at -4.648443 -1.666332 0.433930 ESP Fit Center 1362 is at -4.340981 1.161129 0.028746 ESP Fit Center 1363 is at -4.732359 0.999015 0.028746 ESP Fit Center 1364 is at -5.068443 0.741129 0.028746 ESP Fit Center 1365 is at -5.326329 0.405045 0.028746 ESP Fit Center 1366 is at -5.488443 0.013668 0.028746 ESP Fit Center 1367 is at -5.543737 -0.406332 0.028746 ESP Fit Center 1368 is at -5.488443 -0.826332 0.028746 ESP Fit Center 1369 is at -5.326329 -1.217710 0.028746 ESP Fit Center 1370 is at -5.068443 -1.553794 0.028746 ESP Fit Center 1371 is at -4.732359 -1.811680 0.028746 ESP Fit Center 1372 is at -4.235782 1.243910 -0.406070 ESP Fit Center 1373 is at -4.636291 1.113777 -0.406070 ESP Fit Center 1374 is at -4.991854 0.888130 -0.406070 ESP Fit Center 1375 is at -5.280130 0.581147 -0.406070 ESP Fit Center 1376 is at -5.483006 0.212117 -0.406070 ESP Fit Center 1377 is at -5.587734 -0.195773 -0.406070 ESP Fit Center 1378 is at -5.587734 -0.616892 -0.406070 ESP Fit Center 1379 is at -5.483006 -1.024782 -0.406070 ESP Fit Center 1380 is at -5.280130 -1.393812 -0.406070 ESP Fit Center 1381 is at -4.991854 -1.700795 -0.406070 ESP Fit Center 1382 is at -3.920981 1.216423 -0.840886 ESP Fit Center 1383 is at -4.340981 1.161129 -0.840886 ESP Fit Center 1384 is at -4.732359 0.999015 -0.840886 ESP Fit Center 1385 is at -5.068443 0.741129 -0.840886 ESP Fit Center 1386 is at -5.326329 0.405045 -0.840886 ESP Fit Center 1387 is at -5.488443 0.013668 -0.840886 ESP Fit Center 1388 is at -5.543737 -0.406332 -0.840886 ESP Fit Center 1389 is at -5.488443 -0.826332 -0.840886 ESP Fit Center 1390 is at -5.326329 -1.217710 -0.840886 ESP Fit Center 1391 is at -5.068443 -1.553794 -0.840886 ESP Fit Center 1392 is at -3.812255 1.044522 -1.246070 ESP Fit Center 1393 is at -4.244732 1.012112 -1.246070 ESP Fit Center 1394 is at -4.648443 0.853668 -1.246070 ESP Fit Center 1395 is at -4.987515 0.583266 -1.246070 ESP Fit Center 1396 is at -5.231821 0.224935 -1.246070 ESP Fit Center 1397 is at -5.359654 -0.189488 -1.246070 ESP Fit Center 1398 is at -5.359654 -0.623177 -1.246070 ESP Fit Center 1399 is at -5.231821 -1.037600 -1.246070 ESP Fit Center 1400 is at -4.987515 -1.395931 -1.246070 ESP Fit Center 1401 is at -4.246076 0.736258 -1.594009 ESP Fit Center 1402 is at -4.636875 0.541664 -1.594009 ESP Fit Center 1403 is at -4.930988 0.219037 -1.594009 ESP Fit Center 1404 is at -5.088694 -0.188049 -1.594009 ESP Fit Center 1405 is at -5.088694 -0.624616 -1.594009 ESP Fit Center 1406 is at -4.930988 -1.031702 -1.594009 ESP Fit Center 1407 is at -4.648443 0.013668 -1.860992 ESP Fit Center 1408 is at -4.760981 -0.406332 -1.860992 ESP Fit Center 1409 is at 4.804708 -0.919238 -0.526835 ESP Fit Center 1410 is at 2.793022 1.013211 -1.948586 ESP Fit Center 1411 is at 2.820568 -2.191916 3.345590 ESP Fit Center 1412 is at 1.901314 -2.142413 3.168788 ESP Fit Center 1413 is at 2.220568 -2.410299 3.168788 ESP Fit Center 1414 is at 2.612190 -2.552837 3.168788 ESP Fit Center 1415 is at 3.028945 -2.552837 3.168788 ESP Fit Center 1416 is at 3.420568 -2.410299 3.168788 ESP Fit Center 1417 is at 3.739821 -2.142413 3.168788 ESP Fit Center 1418 is at 1.292246 -1.581131 2.928834 ESP Fit Center 1419 is at 2.715291 -2.910162 2.928834 ESP Fit Center 1420 is at 3.134437 -2.881492 2.928834 ESP Fit Center 1421 is at 3.530305 -2.740800 2.928834 ESP Fit Center 1422 is at 3.873536 -2.498522 2.928834 ESP Fit Center 1423 is at 4.138672 -2.172625 2.928834 ESP Fit Center 1424 is at 4.306051 -1.787281 2.928834 ESP Fit Center 1425 is at 4.659074 -1.371068 2.633018 ESP Fit Center 1426 is at 0.994492 -1.157631 2.633018 ESP Fit Center 1427 is at 3.139821 -3.181644 2.633018 ESP Fit Center 1428 is at 3.548763 -3.059215 2.633018 ESP Fit Center 1429 is at 3.918448 -2.845777 2.633018 ESP Fit Center 1430 is at 4.730586 -0.551415 2.290327 ESP Fit Center 1431 is at 3.135304 -3.425561 2.290327 ESP Fit Center 1432 is at 3.542428 -3.320149 2.290327 ESP Fit Center 1433 is at 4.914281 -0.532872 1.911176 ESP Fit Center 1434 is at 4.717815 -0.151781 1.911176 ESP Fit Center 1435 is at 3.352266 -3.562758 1.911176 ESP Fit Center 1436 is at 4.849544 -0.158811 1.507083 ESP Fit Center 1437 is at 4.600481 0.183995 1.507083 ESP Fit Center 1438 is at 4.294210 0.476821 1.507083 ESP Fit Center 1439 is at 3.550941 -3.618927 1.507083 ESP Fit Center 1440 is at 4.899029 -0.171068 1.090327 ESP Fit Center 1441 is at 4.659074 0.171622 1.090327 ESP Fit Center 1442 is at 4.849544 -0.158811 0.673572 ESP Fit Center 1443 is at 3.352266 -3.562758 0.269479 ESP Fit Center 1444 is at 3.135304 -3.425561 -0.109673 ESP Fit Center 1445 is at 4.722987 -1.215179 -0.692329 ESP Fit Center 1446 is at 2.988817 -3.328270 -0.692329 ESP Fit Center 1447 is at 3.392985 -3.205667 -0.692329 ESP Fit Center 1448 is at 3.765468 -3.006571 -0.692329 ESP Fit Center 1449 is at 4.091952 -2.738633 -0.692329 ESP Fit Center 1450 is at 4.798942 -1.215179 -1.098653 ESP Fit Center 1451 is at 4.758635 -0.793064 -1.098653 ESP Fit Center 1452 is at 3.094345 -3.382750 -1.098653 ESP Fit Center 1453 is at 3.495058 -3.244062 -1.098653 ESP Fit Center 1454 is at 3.862282 -3.032045 -1.098653 ESP Fit Center 1455 is at 4.182746 -2.754361 -1.098653 ESP Fit Center 1456 is at 4.444867 -2.421048 -1.098653 ESP Fit Center 1457 is at 4.639171 -2.044151 -1.098653 ESP Fit Center 1458 is at 4.758635 -1.637293 -1.098653 ESP Fit Center 1459 is at 4.798942 -1.215179 -1.512016 ESP Fit Center 1460 is at 4.758635 -0.793064 -1.512016 ESP Fit Center 1461 is at 4.639171 -0.386206 -1.512016 ESP Fit Center 1462 is at 3.094345 -3.382750 -1.512016 ESP Fit Center 1463 is at 3.495058 -3.244062 -1.512016 ESP Fit Center 1464 is at 3.862282 -3.032045 -1.512016 ESP Fit Center 1465 is at 4.182746 -2.754361 -1.512016 ESP Fit Center 1466 is at 4.444867 -2.421048 -1.512016 ESP Fit Center 1467 is at 4.639171 -2.044151 -1.512016 ESP Fit Center 1468 is at 4.758635 -1.637293 -1.512016 ESP Fit Center 1469 is at 4.722987 -1.215179 -1.918340 ESP Fit Center 1470 is at 4.681589 -0.794858 -1.918340 ESP Fit Center 1471 is at 4.558986 -0.390691 -1.918340 ESP Fit Center 1472 is at 4.359890 -0.018208 -1.918340 ESP Fit Center 1473 is at 4.091952 0.308276 -1.918340 ESP Fit Center 1474 is at 2.988817 -3.328270 -1.918340 ESP Fit Center 1475 is at 3.392985 -3.205667 -1.918340 ESP Fit Center 1476 is at 3.765468 -3.006571 -1.918340 ESP Fit Center 1477 is at 4.091952 -2.738633 -1.918340 ESP Fit Center 1478 is at 4.359890 -2.412149 -1.918340 ESP Fit Center 1479 is at 4.558986 -2.039666 -1.918340 ESP Fit Center 1480 is at 4.681589 -1.635499 -1.918340 ESP Fit Center 1481 is at 4.573663 -1.215179 -2.303788 ESP Fit Center 1482 is at 4.529846 -0.798281 -2.303788 ESP Fit Center 1483 is at 4.400308 -0.399604 -2.303788 ESP Fit Center 1484 is at 4.190711 -0.036572 -2.303788 ESP Fit Center 1485 is at 3.910215 0.274950 -2.303788 ESP Fit Center 1486 is at 3.571080 0.521346 -2.303788 ESP Fit Center 1487 is at 3.188128 0.691847 -2.303788 ESP Fit Center 1488 is at 2.778094 0.779003 -2.303788 ESP Fit Center 1489 is at 2.358901 0.779003 -2.303788 ESP Fit Center 1490 is at 1.948867 0.691847 -2.303788 ESP Fit Center 1491 is at 1.565915 0.521346 -2.303788 ESP Fit Center 1492 is at 0.736687 -0.399604 -2.303788 ESP Fit Center 1493 is at 3.188128 -3.122204 -2.303788 ESP Fit Center 1494 is at 3.571080 -2.951703 -2.303788 ESP Fit Center 1495 is at 3.910215 -2.705307 -2.303788 ESP Fit Center 1496 is at 4.190711 -2.393785 -2.303788 ESP Fit Center 1497 is at 4.400308 -2.030753 -2.303788 ESP Fit Center 1498 is at 4.529846 -1.632076 -2.303788 ESP Fit Center 1499 is at 4.356056 -1.215179 -2.655236 ESP Fit Center 1500 is at 4.307872 -0.802939 -2.655236 ESP Fit Center 1501 is at 4.165918 -0.412924 -2.655236 ESP Fit Center 1502 is at 3.937847 -0.066158 -2.655236 ESP Fit Center 1503 is at 3.635953 0.218664 -2.655236 ESP Fit Center 1504 is at 3.276513 0.426187 -2.655236 ESP Fit Center 1505 is at 2.878904 0.545223 -2.655236 ESP Fit Center 1506 is at 2.464560 0.569356 -2.655236 ESP Fit Center 1507 is at 2.055820 0.497284 -2.655236 ESP Fit Center 1508 is at 1.674718 0.332893 -2.655236 ESP Fit Center 1509 is at 1.341800 0.085044 -2.655236 ESP Fit Center 1510 is at 1.075014 -0.232899 -2.655236 ESP Fit Center 1511 is at 0.888742 -0.603797 -2.655236 ESP Fit Center 1512 is at 2.878904 -2.975580 -2.655236 ESP Fit Center 1513 is at 3.276513 -2.856544 -2.655236 ESP Fit Center 1514 is at 3.635953 -2.649021 -2.655236 ESP Fit Center 1515 is at 3.937847 -2.364199 -2.655236 ESP Fit Center 1516 is at 4.165918 -2.017433 -2.655236 ESP Fit Center 1517 is at 4.307872 -1.627418 -2.655236 ESP Fit Center 1518 is at 4.077576 -1.215179 -2.960714 ESP Fit Center 1519 is at 4.016447 -0.790022 -2.960714 ESP Fit Center 1520 is at 3.838015 -0.399309 -2.960714 ESP Fit Center 1521 is at 3.556734 -0.074693 -2.960714 ESP Fit Center 1522 is at 3.195391 0.157527 -2.960714 ESP Fit Center 1523 is at 2.783262 0.278539 -2.960714 ESP Fit Center 1524 is at 2.353733 0.278539 -2.960714 ESP Fit Center 1525 is at 1.941604 0.157527 -2.960714 ESP Fit Center 1526 is at 1.580261 -0.074693 -2.960714 ESP Fit Center 1527 is at 1.298980 -0.399309 -2.960714 ESP Fit Center 1528 is at 1.120547 -0.790022 -2.960714 ESP Fit Center 1529 is at 1.059419 -1.215179 -2.960714 ESP Fit Center 1530 is at 2.783262 -2.708897 -2.960714 ESP Fit Center 1531 is at 3.195391 -2.587884 -2.960714 ESP Fit Center 1532 is at 3.556734 -2.355664 -2.960714 ESP Fit Center 1533 is at 3.838015 -2.031048 -2.960714 ESP Fit Center 1534 is at 4.016447 -1.640335 -2.960714 ESP Fit Center 1535 is at 3.747705 -1.215179 -3.209821 ESP Fit Center 1536 is at 3.668076 -0.789199 -3.209821 ESP Fit Center 1537 is at 3.439943 -0.420751 -3.209821 ESP Fit Center 1538 is at 3.094116 -0.159595 -3.209821 ESP Fit Center 1539 is at 2.677301 -0.041001 -3.209821 ESP Fit Center 1540 is at 2.245792 -0.080986 -3.209821 ESP Fit Center 1541 is at 1.857866 -0.274150 -3.209821 ESP Fit Center 1542 is at 1.565915 -0.594405 -3.209821 ESP Fit Center 1543 is at 1.409368 -0.998500 -3.209821 ESP Fit Center 1544 is at 1.409368 -1.431857 -3.209821 ESP Fit Center 1545 is at 2.245792 -2.349371 -3.209821 ESP Fit Center 1546 is at 2.677301 -2.389356 -3.209821 ESP Fit Center 1547 is at 3.094116 -2.270762 -3.209821 ESP Fit Center 1548 is at 3.439943 -2.009606 -3.209821 ESP Fit Center 1549 is at 3.668076 -1.641158 -3.209821 ESP Fit Center 1550 is at 3.377679 -1.215179 -3.394072 ESP Fit Center 1551 is at 3.269269 -0.810588 -3.394072 ESP Fit Center 1552 is at 2.973088 -0.514407 -3.394072 ESP Fit Center 1553 is at 2.568497 -0.405997 -3.394072 ESP Fit Center 1554 is at 2.163907 -0.514407 -3.394072 ESP Fit Center 1555 is at 1.867726 -0.810588 -3.394072 ESP Fit Center 1556 is at 1.759316 -1.215179 -3.394072 ESP Fit Center 1557 is at 1.867726 -1.619769 -3.394072 ESP Fit Center 1558 is at 2.163907 -1.915950 -3.394072 ESP Fit Center 1559 is at 2.568497 -2.024360 -3.394072 ESP Fit Center 1560 is at 2.973088 -1.915950 -3.394072 ESP Fit Center 1561 is at 3.269269 -1.619769 -3.394072 ESP Fit Center 1562 is at 2.980096 -1.215179 -3.507194 ESP Fit Center 1563 is at 2.774297 -0.858723 -3.507194 ESP Fit Center 1564 is at 2.362698 -0.858723 -3.507194 ESP Fit Center 1565 is at 2.156899 -1.215179 -3.507194 ESP Fit Center 1566 is at 2.362698 -1.571634 -3.507194 ESP Fit Center 1567 is at 2.774297 -1.571634 -3.507194 ESP Fit Center 1568 is at 2.568497 -1.215179 -3.545334 ESP Fit Center 1569 is at -2.422309 1.866786 2.538429 ESP Fit Center 1570 is at -2.010710 1.866786 2.500288 ESP Fit Center 1571 is at -2.216510 2.223241 2.500288 ESP Fit Center 1572 is at -2.628109 2.223241 2.500288 ESP Fit Center 1573 is at -2.833908 1.866786 2.500288 ESP Fit Center 1574 is at -2.628109 1.510331 2.500288 ESP Fit Center 1575 is at -2.216510 1.510331 2.500288 ESP Fit Center 1576 is at -1.721538 2.271376 2.387166 ESP Fit Center 1577 is at -2.017719 2.567557 2.387166 ESP Fit Center 1578 is at -2.422309 2.675967 2.387166 ESP Fit Center 1579 is at -2.826900 2.567557 2.387166 ESP Fit Center 1580 is at -3.123081 2.271376 2.387166 ESP Fit Center 1581 is at -3.231491 1.866786 2.387166 ESP Fit Center 1582 is at -3.123081 1.462195 2.387166 ESP Fit Center 1583 is at -2.826900 1.166014 2.387166 ESP Fit Center 1584 is at -2.422309 1.057604 2.387166 ESP Fit Center 1585 is at -1.550864 2.661213 2.202915 ESP Fit Center 1586 is at -1.896691 2.922369 2.202915 ESP Fit Center 1587 is at -2.313506 3.040963 2.202915 ESP Fit Center 1588 is at -2.745015 3.000978 2.202915 ESP Fit Center 1589 is at -3.132941 2.807814 2.202915 ESP Fit Center 1590 is at -3.424892 2.487559 2.202915 ESP Fit Center 1591 is at -3.581439 2.083465 2.202915 ESP Fit Center 1592 is at -3.581439 1.650107 2.202915 ESP Fit Center 1593 is at -3.424892 1.246013 2.202915 ESP Fit Center 1594 is at -3.132941 0.925757 2.202915 ESP Fit Center 1595 is at -2.745015 0.732593 2.202915 ESP Fit Center 1596 is at -1.434073 3.007271 1.953808 ESP Fit Center 1597 is at -1.795415 3.239491 1.953808 ESP Fit Center 1598 is at -2.207545 3.360504 1.953808 ESP Fit Center 1599 is at -2.637073 3.360504 1.953808 ESP Fit Center 1600 is at -3.049203 3.239491 1.953808 ESP Fit Center 1601 is at -3.410545 3.007271 1.953808 ESP Fit Center 1602 is at -3.691827 2.682655 1.953808 ESP Fit Center 1603 is at -3.870259 2.291942 1.953808 ESP Fit Center 1604 is at -3.931387 1.866786 1.953808 ESP Fit Center 1605 is at -3.870259 1.441629 1.953808 ESP Fit Center 1606 is at -3.691827 1.050916 1.953808 ESP Fit Center 1607 is at -3.410545 0.726300 1.953808 ESP Fit Center 1608 is at -1.714293 3.508151 1.648330 ESP Fit Center 1609 is at -2.111903 3.627187 1.648330 ESP Fit Center 1610 is at -2.526247 3.651320 1.648330 ESP Fit Center 1611 is at -2.934987 3.579248 1.648330 ESP Fit Center 1612 is at -3.316089 3.414857 1.648330 ESP Fit Center 1613 is at -3.649006 3.167009 1.648330 ESP Fit Center 1614 is at -3.915793 2.849065 1.648330 ESP Fit Center 1615 is at -4.102065 2.478167 1.648330 ESP Fit Center 1616 is at -4.197781 2.074309 1.648330 ESP Fit Center 1617 is at -4.197781 1.659263 1.648330 ESP Fit Center 1618 is at -4.102065 1.255405 1.648330 ESP Fit Center 1619 is at -3.915793 0.884506 1.648330 ESP Fit Center 1620 is at -3.649006 0.566563 1.648330 ESP Fit Center 1621 is at -1.802679 3.773812 1.296882 ESP Fit Center 1622 is at -2.212712 3.860967 1.296882 ESP Fit Center 1623 is at -2.631906 3.860967 1.296882 ESP Fit Center 1624 is at -3.041940 3.773812 1.296882 ESP Fit Center 1625 is at -3.424892 3.603310 1.296882 ESP Fit Center 1626 is at -3.764027 3.356914 1.296882 ESP Fit Center 1627 is at -4.044522 3.045393 1.296882 ESP Fit Center 1628 is at -4.254119 2.682360 1.296882 ESP Fit Center 1629 is at -4.383657 2.283683 1.296882 ESP Fit Center 1630 is at -4.427475 1.866786 1.296882 ESP Fit Center 1631 is at -4.383657 1.449888 1.296882 ESP Fit Center 1632 is at -4.254119 1.051211 1.296882 ESP Fit Center 1633 is at -4.044522 0.688179 1.296882 ESP Fit Center 1634 is at -2.001989 3.979877 0.911434 ESP Fit Center 1635 is at -2.422309 4.021275 0.911434 ESP Fit Center 1636 is at -2.842629 3.979877 0.911434 ESP Fit Center 1637 is at -3.246797 3.857274 0.911434 ESP Fit Center 1638 is at -3.619279 3.658178 0.911434 ESP Fit Center 1639 is at -3.945763 3.390240 0.911434 ESP Fit Center 1640 is at -4.213702 3.063756 0.911434 ESP Fit Center 1641 is at -4.412798 2.691273 0.911434 ESP Fit Center 1642 is at -4.535401 2.287106 0.911434 ESP Fit Center 1643 is at -4.576799 1.866786 0.911434 ESP Fit Center 1644 is at -4.535401 1.446466 0.911434 ESP Fit Center 1645 is at -4.412798 1.042298 0.911434 ESP Fit Center 1646 is at -1.896462 4.034357 0.505110 ESP Fit Center 1647 is at -2.316180 4.094704 0.505110 ESP Fit Center 1648 is at -2.739735 4.074527 0.505110 ESP Fit Center 1649 is at -3.151816 3.974558 0.505110 ESP Fit Center 1650 is at -3.537532 3.798407 0.505110 ESP Fit Center 1651 is at -3.882940 3.552443 0.505110 ESP Fit Center 1652 is at -4.175557 3.245555 0.505110 ESP Fit Center 1653 is at -4.404807 2.888834 0.505110 ESP Fit Center 1654 is at -4.562405 2.495174 0.505110 ESP Fit Center 1655 is at -4.642654 2.078803 0.505110 ESP Fit Center 1656 is at -4.642654 1.654768 0.505110 ESP Fit Center 1657 is at -4.562405 1.238397 0.505110 ESP Fit Center 1658 is at -1.896462 4.034357 0.091747 ESP Fit Center 1659 is at -2.316180 4.094704 0.091747 ESP Fit Center 1660 is at -2.739735 4.074527 0.091747 ESP Fit Center 1661 is at -3.151816 3.974558 0.091747 ESP Fit Center 1662 is at -3.537532 3.798407 0.091747 ESP Fit Center 1663 is at -3.882940 3.552443 0.091747 ESP Fit Center 1664 is at -4.175557 3.245555 0.091747 ESP Fit Center 1665 is at -4.404807 2.888834 0.091747 ESP Fit Center 1666 is at -4.562405 2.495174 0.091747 ESP Fit Center 1667 is at -4.642654 2.078803 0.091747 ESP Fit Center 1668 is at -4.642654 1.654768 0.091747 ESP Fit Center 1669 is at -2.001989 3.979877 -0.314577 ESP Fit Center 1670 is at -2.422309 4.021275 -0.314577 ESP Fit Center 1671 is at -2.842629 3.979877 -0.314577 ESP Fit Center 1672 is at -3.246797 3.857274 -0.314577 ESP Fit Center 1673 is at -3.619279 3.658178 -0.314577 ESP Fit Center 1674 is at -3.945763 3.390240 -0.314577 ESP Fit Center 1675 is at -4.213702 3.063756 -0.314577 ESP Fit Center 1676 is at -4.412798 2.691273 -0.314577 ESP Fit Center 1677 is at -4.535401 2.287106 -0.314577 ESP Fit Center 1678 is at -4.576799 1.866786 -0.314577 ESP Fit Center 1679 is at -4.535401 1.446466 -0.314577 ESP Fit Center 1680 is at -2.212712 3.860967 -0.700025 ESP Fit Center 1681 is at -2.631906 3.860967 -0.700025 ESP Fit Center 1682 is at -3.041940 3.773812 -0.700025 ESP Fit Center 1683 is at -3.424892 3.603310 -0.700025 ESP Fit Center 1684 is at -3.764027 3.356914 -0.700025 ESP Fit Center 1685 is at -4.044522 3.045393 -0.700025 ESP Fit Center 1686 is at -4.254119 2.682360 -0.700025 ESP Fit Center 1687 is at -4.383657 2.283683 -0.700025 ESP Fit Center 1688 is at -4.427475 1.866786 -0.700025 ESP Fit Center 1689 is at -4.383657 1.449888 -0.700025 ESP Fit Center 1690 is at -2.111903 3.627187 -1.051473 ESP Fit Center 1691 is at -2.526247 3.651320 -1.051473 ESP Fit Center 1692 is at -2.934987 3.579248 -1.051473 ESP Fit Center 1693 is at -3.316089 3.414857 -1.051473 ESP Fit Center 1694 is at -3.649006 3.167009 -1.051473 ESP Fit Center 1695 is at -3.915793 2.849065 -1.051473 ESP Fit Center 1696 is at -4.102065 2.478167 -1.051473 ESP Fit Center 1697 is at -4.197781 2.074309 -1.051473 ESP Fit Center 1698 is at -4.197781 1.659263 -1.051473 ESP Fit Center 1699 is at -1.795415 3.239491 -1.356951 ESP Fit Center 1700 is at -2.207545 3.360504 -1.356951 ESP Fit Center 1701 is at -2.637073 3.360504 -1.356951 ESP Fit Center 1702 is at -3.049203 3.239491 -1.356951 ESP Fit Center 1703 is at -3.410545 3.007271 -1.356951 ESP Fit Center 1704 is at -3.691827 2.682655 -1.356951 ESP Fit Center 1705 is at -3.870259 2.291942 -1.356951 ESP Fit Center 1706 is at -3.931387 1.866786 -1.356951 ESP Fit Center 1707 is at -3.870259 1.441629 -1.356951 ESP Fit Center 1708 is at -1.896691 2.922369 -1.606058 ESP Fit Center 1709 is at -2.313506 3.040963 -1.606058 ESP Fit Center 1710 is at -2.745015 3.000978 -1.606058 ESP Fit Center 1711 is at -3.132941 2.807814 -1.606058 ESP Fit Center 1712 is at -3.424892 2.487559 -1.606058 ESP Fit Center 1713 is at -3.581439 2.083465 -1.606058 ESP Fit Center 1714 is at -3.581439 1.650107 -1.606058 ESP Fit Center 1715 is at -2.017719 2.567557 -1.790309 ESP Fit Center 1716 is at -2.422309 2.675967 -1.790309 ESP Fit Center 1717 is at -2.826900 2.567557 -1.790309 ESP Fit Center 1718 is at -3.123081 2.271376 -1.790309 ESP Fit Center 1719 is at -3.231491 1.866786 -1.790309 ESP Fit Center 1720 is at -3.123081 1.462195 -1.790309 ESP Fit Center 1721 is at -2.216510 2.223241 -1.903431 ESP Fit Center 1722 is at -2.628109 2.223241 -1.903431 ESP Fit Center 1723 is at -2.833908 1.866786 -1.903431 ESP Fit Center 1724 is at -2.628109 1.510331 -1.903431 ESP Fit Center 1725 is at -2.422309 1.866786 -1.941571 ESP Fit Center 1726 is at -1.401682 1.253087 2.573459 ESP Fit Center 1727 is at -0.984926 1.253087 2.536998 ESP Fit Center 1728 is at -1.193304 1.614007 2.536998 ESP Fit Center 1729 is at -1.610060 1.614007 2.536998 ESP Fit Center 1730 is at -1.818438 1.253087 2.536998 ESP Fit Center 1731 is at -1.610060 0.892166 2.536998 ESP Fit Center 1732 is at -1.193304 0.892166 2.536998 ESP Fit Center 1733 is at -0.580834 1.253087 2.428721 ESP Fit Center 1734 is at -0.690807 1.663511 2.428721 ESP Fit Center 1735 is at -0.991258 1.963962 2.428721 ESP Fit Center 1736 is at -1.401682 2.073935 2.428721 ESP Fit Center 1737 is at -2.112558 0.842662 2.428721 ESP Fit Center 1738 is at -1.812106 0.542211 2.428721 ESP Fit Center 1739 is at -0.690807 0.842662 2.428721 ESP Fit Center 1740 is at -1.193304 2.434856 2.251920 ESP Fit Center 1741 is at -2.320935 0.481741 2.251920 ESP Fit Center 1742 is at -0.274051 0.842662 2.251920 ESP Fit Center 1743 is at -1.610060 2.434856 -1.905002 ESP Fit Center 1744 is at -2.001682 2.292317 -1.905002 ESP Fit Center 1745 is at -2.601682 1.253087 -1.905002 ESP Fit Center 1746 is at -1.401682 2.073935 -2.081803 ESP Fit Center 1747 is at -1.812106 1.963962 -2.081803 ESP Fit Center 1748 is at -2.112558 1.663511 -2.081803 ESP Fit Center 1749 is at -2.222530 1.253087 -2.081803 ESP Fit Center 1750 is at -2.112558 0.842662 -2.081803 ESP Fit Center 1751 is at -1.812106 0.542211 -2.081803 ESP Fit Center 1752 is at -0.690807 0.842662 -2.081803 ESP Fit Center 1753 is at -0.984926 1.253087 -2.190080 ESP Fit Center 1754 is at -1.193304 1.614007 -2.190080 ESP Fit Center 1755 is at -1.610060 1.614007 -2.190080 ESP Fit Center 1756 is at -1.818438 1.253087 -2.190080 ESP Fit Center 1757 is at -1.610060 0.892166 -2.190080 ESP Fit Center 1758 is at -1.193304 0.892166 -2.190080 ESP Fit Center 1759 is at -1.401682 1.253087 -2.226541 ESP Fit Center 1760 is at -0.207001 1.960864 2.424759 ESP Fit Center 1761 is at 0.209755 1.960864 2.388297 ESP Fit Center 1762 is at 0.001377 2.321785 2.388297 ESP Fit Center 1763 is at -0.415379 2.321785 2.388297 ESP Fit Center 1764 is at -0.623757 1.960864 2.388297 ESP Fit Center 1765 is at -0.415379 1.599943 2.388297 ESP Fit Center 1766 is at 0.001377 1.599943 2.388297 ESP Fit Center 1767 is at 0.613847 1.960864 2.280021 ESP Fit Center 1768 is at 0.503875 2.371288 2.280021 ESP Fit Center 1769 is at 0.203423 2.671739 2.280021 ESP Fit Center 1770 is at -0.207001 2.781712 2.280021 ESP Fit Center 1771 is at -0.617425 2.671739 2.280021 ESP Fit Center 1772 is at -0.917877 2.371288 2.280021 ESP Fit Center 1773 is at -0.207001 1.140016 2.280021 ESP Fit Center 1774 is at 0.203423 1.249988 2.280021 ESP Fit Center 1775 is at 0.712252 2.732209 2.103220 ESP Fit Center 1776 is at 0.392999 3.000094 2.103220 ESP Fit Center 1777 is at 0.001377 3.142633 2.103220 ESP Fit Center 1778 is at -0.415379 3.142633 2.103220 ESP Fit Center 1779 is at -0.807001 3.000094 2.103220 ESP Fit Center 1780 is at -1.126254 2.732209 2.103220 ESP Fit Center 1781 is at 0.001377 0.779095 2.103220 ESP Fit Center 1782 is at 0.845967 3.088317 1.863265 ESP Fit Center 1783 is at 0.502737 3.330596 1.863265 ESP Fit Center 1784 is at 0.106869 3.471287 1.863265 ESP Fit Center 1785 is at -0.312278 3.499958 1.863265 ESP Fit Center 1786 is at -0.723617 3.414481 1.863265 ESP Fit Center 1787 is at -1.096640 3.221195 1.863265 ESP Fit Center 1788 is at 0.890879 3.435573 1.567449 ESP Fit Center 1789 is at -1.468661 3.298145 -1.517932 ESP Fit Center 1790 is at 0.502737 3.330596 -1.813748 ESP Fit Center 1791 is at 0.106869 3.471287 -1.813748 ESP Fit Center 1792 is at -0.723617 3.414481 -1.813748 ESP Fit Center 1793 is at -1.096640 3.221195 -1.813748 ESP Fit Center 1794 is at -1.403683 2.934437 -1.813748 ESP Fit Center 1795 is at 0.392999 3.000094 -2.053702 ESP Fit Center 1796 is at 0.001377 3.142633 -2.053702 ESP Fit Center 1797 is at -0.415379 3.142633 -2.053702 ESP Fit Center 1798 is at -0.807001 3.000094 -2.053702 ESP Fit Center 1799 is at -1.126254 2.732209 -2.053702 ESP Fit Center 1800 is at -1.334632 2.371288 -2.053702 ESP Fit Center 1801 is at -0.415379 0.779095 -2.053702 ESP Fit Center 1802 is at 0.503875 2.371288 -2.230504 ESP Fit Center 1803 is at 0.203423 2.671739 -2.230504 ESP Fit Center 1804 is at -0.207001 2.781712 -2.230504 ESP Fit Center 1805 is at -0.617425 2.671739 -2.230504 ESP Fit Center 1806 is at -0.917877 2.371288 -2.230504 ESP Fit Center 1807 is at -1.027849 1.960864 -2.230504 ESP Fit Center 1808 is at -0.917877 1.550440 -2.230504 ESP Fit Center 1809 is at -0.617425 1.249988 -2.230504 ESP Fit Center 1810 is at -0.207001 1.140016 -2.230504 ESP Fit Center 1811 is at 0.209755 1.960864 -2.338780 ESP Fit Center 1812 is at 0.001377 2.321785 -2.338780 ESP Fit Center 1813 is at -0.415379 2.321785 -2.338780 ESP Fit Center 1814 is at -0.623757 1.960864 -2.338780 ESP Fit Center 1815 is at -0.415379 1.599943 -2.338780 ESP Fit Center 1816 is at 0.001377 1.599943 -2.338780 ESP Fit Center 1817 is at -0.207001 1.960864 -2.375241 ESP Fit Center 1818 is at 1.076864 1.490564 2.351173 ESP Fit Center 1819 is at 1.493620 1.490564 2.314712 ESP Fit Center 1820 is at 1.285242 1.851485 2.314712 ESP Fit Center 1821 is at 0.868486 1.851485 2.314712 ESP Fit Center 1822 is at 0.660108 1.490564 2.314712 ESP Fit Center 1823 is at 0.868486 1.129643 2.314712 ESP Fit Center 1824 is at 1.285242 1.129643 2.314712 ESP Fit Center 1825 is at 1.897712 1.490564 2.206435 ESP Fit Center 1826 is at 1.787740 1.900988 2.206435 ESP Fit Center 1827 is at 1.487288 2.201440 2.206435 ESP Fit Center 1828 is at 1.076864 2.311413 2.206435 ESP Fit Center 1829 is at 0.365988 1.080140 2.206435 ESP Fit Center 1830 is at 1.787740 1.080140 2.206435 ESP Fit Center 1831 is at 2.276864 1.490564 2.029634 ESP Fit Center 1832 is at 1.285242 2.672334 2.029634 ESP Fit Center 1833 is at 2.204495 1.080140 2.029634 ESP Fit Center 1834 is at 0.868486 2.672334 -2.127288 ESP Fit Center 1835 is at 0.157611 0.719219 -2.127288 ESP Fit Center 1836 is at 2.204495 1.080140 -2.127288 ESP Fit Center 1837 is at 1.897712 1.490564 -2.304089 ESP Fit Center 1838 is at 1.076864 2.311413 -2.304089 ESP Fit Center 1839 is at 0.666440 2.201440 -2.304089 ESP Fit Center 1840 is at 0.256016 1.490564 -2.304089 ESP Fit Center 1841 is at 0.365988 1.080140 -2.304089 ESP Fit Center 1842 is at 0.666440 0.779689 -2.304089 ESP Fit Center 1843 is at 1.076864 0.669716 -2.304089 ESP Fit Center 1844 is at 1.487288 0.779689 -2.304089 ESP Fit Center 1845 is at 1.787740 1.080140 -2.304089 ESP Fit Center 1846 is at 1.493620 1.490564 -2.412366 ESP Fit Center 1847 is at 1.285242 1.851485 -2.412366 ESP Fit Center 1848 is at 0.868486 1.851485 -2.412366 ESP Fit Center 1849 is at 0.660108 1.490564 -2.412366 ESP Fit Center 1850 is at 0.868486 1.129643 -2.412366 ESP Fit Center 1851 is at 1.285242 1.129643 -2.412366 ESP Fit Center 1852 is at 1.076864 1.490564 -2.448827 ESP Fit Center 1853 is at 2.014512 2.244945 2.086301 ESP Fit Center 1854 is at 2.426111 2.244945 2.048161 ESP Fit Center 1855 is at 2.220311 2.601400 2.048161 ESP Fit Center 1856 is at 1.808713 2.601400 2.048161 ESP Fit Center 1857 is at 2.220311 1.888490 2.048161 ESP Fit Center 1858 is at 2.823693 2.244945 1.935039 ESP Fit Center 1859 is at 2.715284 2.649536 1.935039 ESP Fit Center 1860 is at 2.419103 2.945717 1.935039 ESP Fit Center 1861 is at 2.014512 3.054126 1.935039 ESP Fit Center 1862 is at 1.609921 2.945717 1.935039 ESP Fit Center 1863 is at 2.715284 1.840354 1.935039 ESP Fit Center 1864 is at 3.193720 2.244945 1.750788 ESP Fit Center 1865 is at 3.114091 2.670924 1.750788 ESP Fit Center 1866 is at 2.885957 3.039372 1.750788 ESP Fit Center 1867 is at 2.540130 3.300529 1.750788 ESP Fit Center 1868 is at 2.123316 3.419123 1.750788 ESP Fit Center 1869 is at 1.691806 3.379137 1.750788 ESP Fit Center 1870 is at 1.303880 3.185973 1.750788 ESP Fit Center 1871 is at 2.885957 1.450518 1.750788 ESP Fit Center 1872 is at 3.114091 1.818966 1.750788 ESP Fit Center 1873 is at 3.523590 2.244945 1.501681 ESP Fit Center 1874 is at 3.462462 2.670101 1.501681 ESP Fit Center 1875 is at 3.284029 3.060814 1.501681 ESP Fit Center 1876 is at 3.002748 3.385430 1.501681 ESP Fit Center 1877 is at 2.641406 3.617651 1.501681 ESP Fit Center 1878 is at 2.229276 3.738663 1.501681 ESP Fit Center 1879 is at 1.799748 3.738663 1.501681 ESP Fit Center 1880 is at 1.387618 3.617651 1.501681 ESP Fit Center 1881 is at 3.284029 1.429076 1.501681 ESP Fit Center 1882 is at 3.462462 1.819788 1.501681 ESP Fit Center 1883 is at 3.802071 2.244945 1.196203 ESP Fit Center 1884 is at 3.753887 2.657184 1.196203 ESP Fit Center 1885 is at 3.611933 3.047200 1.196203 ESP Fit Center 1886 is at 3.383861 3.393965 1.196203 ESP Fit Center 1887 is at 3.081968 3.678787 1.196203 ESP Fit Center 1888 is at 2.722528 3.886310 1.196203 ESP Fit Center 1889 is at 2.324918 4.005347 1.196203 ESP Fit Center 1890 is at 1.910575 4.029479 1.196203 ESP Fit Center 1891 is at 1.501834 3.957407 1.196203 ESP Fit Center 1892 is at 1.120733 3.793016 1.196203 ESP Fit Center 1893 is at 3.753887 1.832706 1.196203 ESP Fit Center 1894 is at 4.019678 2.244945 0.844755 ESP Fit Center 1895 is at 3.975860 2.661842 0.844755 ESP Fit Center 1896 is at 3.846322 3.060519 0.844755 ESP Fit Center 1897 is at 3.636725 3.423552 0.844755 ESP Fit Center 1898 is at 3.356230 3.735074 0.844755 ESP Fit Center 1899 is at 3.017095 3.981469 0.844755 ESP Fit Center 1900 is at 2.634142 4.151971 0.844755 ESP Fit Center 1901 is at 2.224109 4.239126 0.844755 ESP Fit Center 1902 is at 1.804915 4.239126 0.844755 ESP Fit Center 1903 is at 1.394882 4.151971 0.844755 ESP Fit Center 1904 is at 3.975860 1.828048 0.844755 ESP Fit Center 1905 is at 4.169001 2.244945 0.459306 ESP Fit Center 1906 is at 4.127604 2.665265 0.459306 ESP Fit Center 1907 is at 4.005001 3.069432 0.459306 ESP Fit Center 1908 is at 3.805905 3.441915 0.459306 ESP Fit Center 1909 is at 3.537966 3.768399 0.459306 ESP Fit Center 1910 is at 3.211482 4.036337 0.459306 ESP Fit Center 1911 is at 2.838999 4.235434 0.459306 ESP Fit Center 1912 is at 2.434832 4.358036 0.459306 ESP Fit Center 1913 is at 2.014512 4.399434 0.459306 ESP Fit Center 1914 is at 1.594192 4.358036 0.459306 ESP Fit Center 1915 is at 1.190025 4.235434 0.459306 ESP Fit Center 1916 is at 4.244957 2.244945 0.052982 ESP Fit Center 1917 is at 4.204650 2.667059 0.052982 ESP Fit Center 1918 is at 4.085185 3.073917 0.052982 ESP Fit Center 1919 is at 3.890881 3.450814 0.052982 ESP Fit Center 1920 is at 3.628761 3.784128 0.052982 ESP Fit Center 1921 is at 3.308297 4.061811 0.052982 ESP Fit Center 1922 is at 2.941072 4.273829 0.052982 ESP Fit Center 1923 is at 2.540359 4.412517 0.052982 ESP Fit Center 1924 is at 2.120641 4.472863 0.052982 ESP Fit Center 1925 is at 1.697087 4.452687 0.052982 ESP Fit Center 1926 is at 1.285005 4.352717 0.052982 ESP Fit Center 1927 is at 4.244957 2.244945 -0.360380 ESP Fit Center 1928 is at 4.204650 2.667059 -0.360380 ESP Fit Center 1929 is at 4.085185 3.073917 -0.360380 ESP Fit Center 1930 is at 3.890881 3.450814 -0.360380 ESP Fit Center 1931 is at 3.628761 3.784128 -0.360380 ESP Fit Center 1932 is at 3.308297 4.061811 -0.360380 ESP Fit Center 1933 is at 2.941072 4.273829 -0.360380 ESP Fit Center 1934 is at 2.540359 4.412517 -0.360380 ESP Fit Center 1935 is at 2.120641 4.472863 -0.360380 ESP Fit Center 1936 is at 1.697087 4.452687 -0.360380 ESP Fit Center 1937 is at 1.285005 4.352717 -0.360380 ESP Fit Center 1938 is at 4.169001 2.244945 -0.766704 ESP Fit Center 1939 is at 4.127604 2.665265 -0.766704 ESP Fit Center 1940 is at 4.005001 3.069432 -0.766704 ESP Fit Center 1941 is at 3.805905 3.441915 -0.766704 ESP Fit Center 1942 is at 3.537966 3.768399 -0.766704 ESP Fit Center 1943 is at 3.211482 4.036337 -0.766704 ESP Fit Center 1944 is at 2.838999 4.235434 -0.766704 ESP Fit Center 1945 is at 2.434832 4.358036 -0.766704 ESP Fit Center 1946 is at 2.014512 4.399434 -0.766704 ESP Fit Center 1947 is at 1.594192 4.358036 -0.766704 ESP Fit Center 1948 is at 1.190025 4.235434 -0.766704 ESP Fit Center 1949 is at 4.019678 2.244945 -1.152153 ESP Fit Center 1950 is at 3.975860 2.661842 -1.152153 ESP Fit Center 1951 is at 3.846322 3.060519 -1.152153 ESP Fit Center 1952 is at 3.636725 3.423552 -1.152153 ESP Fit Center 1953 is at 3.356230 3.735074 -1.152153 ESP Fit Center 1954 is at 3.017095 3.981469 -1.152153 ESP Fit Center 1955 is at 2.634142 4.151971 -1.152153 ESP Fit Center 1956 is at 2.224109 4.239126 -1.152153 ESP Fit Center 1957 is at 1.804915 4.239126 -1.152153 ESP Fit Center 1958 is at 1.394882 4.151971 -1.152153 ESP Fit Center 1959 is at 1.011929 3.981469 -1.152153 ESP Fit Center 1960 is at 3.975860 1.828048 -1.152153 ESP Fit Center 1961 is at 3.802071 2.244945 -1.503600 ESP Fit Center 1962 is at 3.753887 2.657184 -1.503600 ESP Fit Center 1963 is at 3.611933 3.047200 -1.503600 ESP Fit Center 1964 is at 3.383861 3.393965 -1.503600 ESP Fit Center 1965 is at 3.081968 3.678787 -1.503600 ESP Fit Center 1966 is at 2.722528 3.886310 -1.503600 ESP Fit Center 1967 is at 2.324918 4.005347 -1.503600 ESP Fit Center 1968 is at 1.910575 4.029479 -1.503600 ESP Fit Center 1969 is at 1.501834 3.957407 -1.503600 ESP Fit Center 1970 is at 1.120733 3.793016 -1.503600 ESP Fit Center 1971 is at 0.787815 3.545168 -1.503600 ESP Fit Center 1972 is at 3.753887 1.832706 -1.503600 ESP Fit Center 1973 is at 3.523590 2.244945 -1.809079 ESP Fit Center 1974 is at 3.462462 2.670101 -1.809079 ESP Fit Center 1975 is at 3.284029 3.060814 -1.809079 ESP Fit Center 1976 is at 3.002748 3.385430 -1.809079 ESP Fit Center 1977 is at 2.641406 3.617651 -1.809079 ESP Fit Center 1978 is at 2.229276 3.738663 -1.809079 ESP Fit Center 1979 is at 1.799748 3.738663 -1.809079 ESP Fit Center 1980 is at 1.387618 3.617651 -1.809079 ESP Fit Center 1981 is at 1.026276 3.385430 -1.809079 ESP Fit Center 1982 is at 3.284029 1.429076 -1.809079 ESP Fit Center 1983 is at 3.462462 1.819788 -1.809079 ESP Fit Center 1984 is at 3.193720 2.244945 -2.058185 ESP Fit Center 1985 is at 3.114091 2.670924 -2.058185 ESP Fit Center 1986 is at 2.885957 3.039372 -2.058185 ESP Fit Center 1987 is at 2.540130 3.300529 -2.058185 ESP Fit Center 1988 is at 2.123316 3.419123 -2.058185 ESP Fit Center 1989 is at 1.691806 3.379137 -2.058185 ESP Fit Center 1990 is at 1.303880 3.185973 -2.058185 ESP Fit Center 1991 is at 1.011929 2.865718 -2.058185 ESP Fit Center 1992 is at 2.540130 1.189361 -2.058185 ESP Fit Center 1993 is at 2.885957 1.450518 -2.058185 ESP Fit Center 1994 is at 3.114091 1.818966 -2.058185 ESP Fit Center 1995 is at 2.823693 2.244945 -2.242436 ESP Fit Center 1996 is at 2.715284 2.649536 -2.242436 ESP Fit Center 1997 is at 2.419103 2.945717 -2.242436 ESP Fit Center 1998 is at 2.014512 3.054126 -2.242436 ESP Fit Center 1999 is at 1.609921 2.945717 -2.242436 ESP Fit Center 2000 is at 1.313740 2.649536 -2.242436 ESP Fit Center 2001 is at 2.419103 1.544173 -2.242436 ESP Fit Center 2002 is at 2.715284 1.840354 -2.242436 ESP Fit Center 2003 is at 2.426111 2.244945 -2.355558 ESP Fit Center 2004 is at 2.220311 2.601400 -2.355558 ESP Fit Center 2005 is at 1.808713 2.601400 -2.355558 ESP Fit Center 2006 is at 1.602913 2.244945 -2.355558 ESP Fit Center 2007 is at 1.808713 1.888490 -2.355558 ESP Fit Center 2008 is at 2.220311 1.888490 -2.355558 ESP Fit Center 2009 is at 2.014512 2.244945 -2.393699 ESP Fit Center 2010 is at 1.387716 0.498124 2.401326 ESP Fit Center 2011 is at 0.970960 0.498124 2.401326 ESP Fit Center 2012 is at 0.762582 0.137203 2.401326 ESP Fit Center 2013 is at 0.970960 -0.223718 2.401326 ESP Fit Center 2014 is at 1.589762 0.848078 2.293049 ESP Fit Center 2015 is at 1.179338 0.958051 2.293049 ESP Fit Center 2016 is at 0.768914 0.848078 2.293049 ESP Fit Center 2017 is at 0.468462 0.547627 2.293049 ESP Fit Center 2018 is at 0.051707 0.547627 -2.040674 ESP Fit Center 2019 is at 0.468462 0.547627 -2.217475 ESP Fit Center 2020 is at 0.358490 0.137203 -2.217475 ESP Fit Center 2021 is at 0.468462 -0.273221 -2.217475 ESP Fit Center 2022 is at 1.387716 0.498124 -2.325752 ESP Fit Center 2023 is at 0.970960 0.498124 -2.325752 ESP Fit Center 2024 is at 0.762582 0.137203 -2.325752 ESP Fit Center 2025 is at 0.033974 -0.662416 2.520034 ESP Fit Center 2026 is at 0.450730 -0.662416 2.483573 ESP Fit Center 2027 is at 0.242352 -0.301495 2.483573 ESP Fit Center 2028 is at -0.174404 -0.301495 2.483573 ESP Fit Center 2029 is at -0.382781 -0.662416 2.483573 ESP Fit Center 2030 is at -0.174404 -1.023336 2.483573 ESP Fit Center 2031 is at 0.242352 -1.023336 2.483573 ESP Fit Center 2032 is at 0.854823 -0.662416 2.375296 ESP Fit Center 2033 is at 0.744850 -0.251991 2.375296 ESP Fit Center 2034 is at 0.444398 0.048460 2.375296 ESP Fit Center 2035 is at 0.033974 0.158433 2.375296 ESP Fit Center 2036 is at -0.676901 -1.072840 2.375296 ESP Fit Center 2037 is at -0.376450 -1.373291 2.375296 ESP Fit Center 2038 is at 0.033974 -1.483264 2.375296 ESP Fit Center 2039 is at 0.444398 -1.373291 2.375296 ESP Fit Center 2040 is at 0.744850 -1.072840 2.375296 ESP Fit Center 2041 is at -0.566026 -1.701646 2.198495 ESP Fit Center 2042 is at -0.174404 -1.844185 2.198495 ESP Fit Center 2043 is at 0.242352 -1.844185 2.198495 ESP Fit Center 2044 is at -0.855665 -1.922747 -1.718473 ESP Fit Center 2045 is at -0.482641 -2.116032 -1.718473 ESP Fit Center 2046 is at -0.071303 -2.201509 -1.718473 ESP Fit Center 2047 is at -0.174404 0.519354 -1.958427 ESP Fit Center 2048 is at -0.885279 -1.433761 -1.958427 ESP Fit Center 2049 is at -0.566026 -1.701646 -1.958427 ESP Fit Center 2050 is at -0.174404 -1.844185 -1.958427 ESP Fit Center 2051 is at 0.033974 0.158433 -2.135228 ESP Fit Center 2052 is at -0.376450 0.048460 -2.135228 ESP Fit Center 2053 is at -0.676901 -1.072840 -2.135228 ESP Fit Center 2054 is at -0.376450 -1.373291 -2.135228 ESP Fit Center 2055 is at 0.033974 -1.483264 -2.135228 ESP Fit Center 2056 is at 0.450730 -0.662416 -2.243505 ESP Fit Center 2057 is at 0.242352 -0.301495 -2.243505 ESP Fit Center 2058 is at -0.174404 -0.301495 -2.243505 ESP Fit Center 2059 is at -0.382781 -0.662416 -2.243505 ESP Fit Center 2060 is at -0.174404 -1.023336 -2.243505 ESP Fit Center 2061 is at 0.242352 -1.023336 -2.243505 ESP Fit Center 2062 is at 0.033974 -0.662416 -2.279966 ESP Fit Center 2063 is at -1.207492 -0.199427 2.571695 ESP Fit Center 2064 is at -0.790736 -0.199427 2.535233 ESP Fit Center 2065 is at -0.999114 0.161494 2.535233 ESP Fit Center 2066 is at -1.415869 0.161494 2.535233 ESP Fit Center 2067 is at -1.624247 -0.199427 2.535233 ESP Fit Center 2068 is at -1.415869 -0.560348 2.535233 ESP Fit Center 2069 is at -0.999114 -0.560348 2.535233 ESP Fit Center 2070 is at -0.496616 0.210997 2.426957 ESP Fit Center 2071 is at -0.797067 0.511449 2.426957 ESP Fit Center 2072 is at -1.918367 0.210997 2.426957 ESP Fit Center 2073 is at -0.797067 -0.910302 2.426957 ESP Fit Center 2074 is at -0.288238 0.571918 2.250156 ESP Fit Center 2075 is at -0.496616 0.210997 -2.083568 ESP Fit Center 2076 is at -0.797067 0.511449 -2.083568 ESP Fit Center 2077 is at -1.207492 -1.020275 -2.083568 ESP Fit Center 2078 is at -0.790736 -0.199427 -2.191844 ESP Fit Center 2079 is at -0.999114 0.161494 -2.191844 ESP Fit Center 2080 is at -1.415869 0.161494 -2.191844 ESP Fit Center 2081 is at -0.999114 -0.560348 -2.191844 ESP Fit Center 2082 is at -1.207492 -0.199427 -2.228305 ESP Fit Center 2083 is at 3.609213 1.022059 1.533881 ESP Fit Center 2084 is at 3.192684 1.133667 1.533881 ESP Fit Center 2085 is at 4.317591 0.710043 1.305137 ESP Fit Center 2086 is at 4.109717 1.070092 1.305137 ESP Fit Center 2087 is at 3.791235 1.337330 1.305137 ESP Fit Center 2088 is at 4.693801 0.300610 1.001121 ESP Fit Center 2089 is at 4.632995 0.723524 1.001121 ESP Fit Center 2090 is at 4.455504 1.112175 1.001121 ESP Fit Center 2091 is at 4.175707 1.435078 1.001121 ESP Fit Center 2092 is at 4.922545 0.300610 0.637078 ESP Fit Center 2093 is at 4.872278 0.714593 0.637078 ESP Fit Center 2094 is at 4.724400 1.104516 0.637078 ESP Fit Center 2095 is at 4.487503 1.447720 0.637078 ESP Fit Center 2096 is at 4.175357 1.724257 0.637078 ESP Fit Center 2097 is at 4.872278 -0.113372 0.637078 ESP Fit Center 2098 is at 5.064546 0.300610 0.231261 ESP Fit Center 2099 is at 5.017614 0.717139 0.231261 ESP Fit Center 2100 is at 4.879173 1.112781 0.231261 ESP Fit Center 2101 is at 4.656165 1.467697 0.231261 ESP Fit Center 2102 is at 4.359771 1.764091 0.231261 ESP Fit Center 2103 is at 5.017614 -0.115918 0.231261 ESP Fit Center 2104 is at 5.112684 0.300610 -0.195979 ESP Fit Center 2105 is at 5.067796 0.713354 -0.195979 ESP Fit Center 2106 is at 4.935229 1.106797 -0.195979 ESP Fit Center 2107 is at 4.721183 1.462545 -0.195979 ESP Fit Center 2108 is at 4.435666 1.763961 -0.195979 ESP Fit Center 2109 is at 4.935229 -0.505577 -0.195979 ESP Fit Center 2110 is at 5.067796 -0.112133 -0.195979 ESP Fit Center 2111 is at 5.064546 0.300610 -0.623219 ESP Fit Center 2112 is at 5.017614 0.717139 -0.623219 ESP Fit Center 2113 is at 4.879173 1.112781 -0.623219 ESP Fit Center 2114 is at 4.656165 1.467697 -0.623219 ESP Fit Center 2115 is at 4.359771 1.764091 -0.623219 ESP Fit Center 2116 is at 4.879173 -0.511560 -0.623219 ESP Fit Center 2117 is at 5.017614 -0.115918 -0.623219 ESP Fit Center 2118 is at 4.922545 0.300610 -1.029036 ESP Fit Center 2119 is at 4.872278 0.714593 -1.029036 ESP Fit Center 2120 is at 4.724400 1.104516 -1.029036 ESP Fit Center 2121 is at 4.487503 1.447720 -1.029036 ESP Fit Center 2122 is at 4.175357 1.724257 -1.029036 ESP Fit Center 2123 is at 4.724400 -0.503296 -1.029036 ESP Fit Center 2124 is at 4.872278 -0.113372 -1.029036 ESP Fit Center 2125 is at 4.693801 0.300610 -1.393080 ESP Fit Center 2126 is at 4.632995 0.723524 -1.393080 ESP Fit Center 2127 is at 4.455504 1.112175 -1.393080 ESP Fit Center 2128 is at 4.175707 1.435078 -1.393080 ESP Fit Center 2129 is at 3.816271 1.666074 -1.393080 ESP Fit Center 2130 is at 4.632995 -0.122303 -1.393080 ESP Fit Center 2131 is at 4.389785 0.300610 -1.697096 ESP Fit Center 2132 is at 4.317591 0.710043 -1.697096 ESP Fit Center 2133 is at 4.109717 1.070092 -1.697096 ESP Fit Center 2134 is at 3.791235 1.337330 -1.697096 ESP Fit Center 2135 is at 3.914133 0.717139 -1.925839 ESP Fit Center 2136 is at 3.609213 1.022059 -1.925839 ESP Fit Center 2137 is at 3.192684 1.133667 -1.925839 ESP Fit Center 2138 is at 4.646565 -1.786271 2.685287 ESP Fit Center 2139 is at 4.230036 -2.507720 2.685287 ESP Fit Center 2140 is at 4.534956 -2.202800 2.685287 ESP Fit Center 2141 is at 5.010608 -1.786271 2.456544 ESP Fit Center 2142 is at 4.938414 -1.376839 2.456544 ESP Fit Center 2143 is at 4.021382 -2.965185 2.456544 ESP Fit Center 2144 is at 4.412058 -2.822991 2.456544 ESP Fit Center 2145 is at 4.730540 -2.555753 2.456544 ESP Fit Center 2146 is at 4.938414 -2.195704 2.456544 ESP Fit Center 2147 is at 5.314624 -1.786271 2.152528 ESP Fit Center 2148 is at 5.253819 -1.363358 2.152528 ESP Fit Center 2149 is at 5.076328 -0.974707 2.152528 ESP Fit Center 2150 is at 4.027139 -3.272109 2.152528 ESP Fit Center 2151 is at 4.437094 -3.151735 2.152528 ESP Fit Center 2152 is at 4.796530 -2.920739 2.152528 ESP Fit Center 2153 is at 5.076328 -2.597836 2.152528 ESP Fit Center 2154 is at 5.253819 -2.209185 2.152528 ESP Fit Center 2155 is at 5.543368 -1.786271 1.788484 ESP Fit Center 2156 is at 5.493102 -1.372289 1.788484 ESP Fit Center 2157 is at 5.345223 -0.982365 1.788484 ESP Fit Center 2158 is at 5.108327 -0.639162 1.788484 ESP Fit Center 2159 is at 4.022020 -3.503519 1.788484 ESP Fit Center 2160 is at 4.426925 -3.403719 1.788484 ESP Fit Center 2161 is at 4.796181 -3.209918 1.788484 ESP Fit Center 2162 is at 5.108327 -2.933381 1.788484 ESP Fit Center 2163 is at 5.345223 -2.590177 1.788484 ESP Fit Center 2164 is at 5.493102 -2.200254 1.788484 ESP Fit Center 2165 is at 5.685370 -1.786271 1.382667 ESP Fit Center 2166 is at 5.638438 -1.369743 1.382667 ESP Fit Center 2167 is at 5.499997 -0.974101 1.382667 ESP Fit Center 2168 is at 5.276988 -0.619185 1.382667 ESP Fit Center 2169 is at 4.980595 -0.322791 1.382667 ESP Fit Center 2170 is at 3.813508 -3.658133 1.382667 ESP Fit Center 2171 is at 4.230036 -3.611201 1.382667 ESP Fit Center 2172 is at 4.625678 -3.472760 1.382667 ESP Fit Center 2173 is at 4.980595 -3.249752 1.382667 ESP Fit Center 2174 is at 5.276988 -2.953358 1.382667 ESP Fit Center 2175 is at 5.499997 -2.598442 1.382667 ESP Fit Center 2176 is at 5.638438 -2.202800 1.382667 ESP Fit Center 2177 is at 5.733508 -1.786271 0.955427 ESP Fit Center 2178 is at 5.688619 -1.373528 0.955427 ESP Fit Center 2179 is at 5.556053 -0.980084 0.955427 ESP Fit Center 2180 is at 5.342007 -0.624337 0.955427 ESP Fit Center 2181 is at 5.056490 -0.322920 0.955427 ESP Fit Center 2182 is at 3.502887 -3.680978 0.955427 ESP Fit Center 2183 is at 3.917455 -3.703456 0.955427 ESP Fit Center 2184 is at 4.327162 -3.636287 0.955427 ESP Fit Center 2185 is at 4.712852 -3.482614 0.955427 ESP Fit Center 2186 is at 5.056490 -3.249623 0.955427 ESP Fit Center 2187 is at 5.342007 -2.948206 0.955427 ESP Fit Center 2188 is at 5.556053 -2.592458 0.955427 ESP Fit Center 2189 is at 5.688619 -2.199015 0.955427 ESP Fit Center 2190 is at 5.685370 -1.786271 0.528187 ESP Fit Center 2191 is at 5.638438 -1.369743 0.528187 ESP Fit Center 2192 is at 5.499997 -0.974101 0.528187 ESP Fit Center 2193 is at 5.276988 -0.619185 0.528187 ESP Fit Center 2194 is at 4.980595 -0.322791 0.528187 ESP Fit Center 2195 is at 3.813508 -3.658133 0.528187 ESP Fit Center 2196 is at 4.230036 -3.611201 0.528187 ESP Fit Center 2197 is at 4.625678 -3.472760 0.528187 ESP Fit Center 2198 is at 4.980595 -3.249752 0.528187 ESP Fit Center 2199 is at 5.276988 -2.953358 0.528187 ESP Fit Center 2200 is at 5.499997 -2.598442 0.528187 ESP Fit Center 2201 is at 5.638438 -2.202800 0.528187 ESP Fit Center 2202 is at 5.543368 -1.786271 0.122370 ESP Fit Center 2203 is at 5.493102 -1.372289 0.122370 ESP Fit Center 2204 is at 5.345223 -0.982365 0.122370 ESP Fit Center 2205 is at 5.108327 -0.639162 0.122370 ESP Fit Center 2206 is at 3.604996 -3.503519 0.122370 ESP Fit Center 2207 is at 4.022020 -3.503519 0.122370 ESP Fit Center 2208 is at 4.426925 -3.403719 0.122370 ESP Fit Center 2209 is at 4.796181 -3.209918 0.122370 ESP Fit Center 2210 is at 5.108327 -2.933381 0.122370 ESP Fit Center 2211 is at 5.345223 -2.590177 0.122370 ESP Fit Center 2212 is at 5.493102 -2.200254 0.122370 ESP Fit Center 2213 is at 5.314624 -1.786271 -0.241673 ESP Fit Center 2214 is at 5.253819 -1.363358 -0.241673 ESP Fit Center 2215 is at 5.076328 -0.974707 -0.241673 ESP Fit Center 2216 is at 3.599877 -3.272109 -0.241673 ESP Fit Center 2217 is at 4.027139 -3.272109 -0.241673 ESP Fit Center 2218 is at 4.437094 -3.151735 -0.241673 ESP Fit Center 2219 is at 4.796530 -2.920739 -0.241673 ESP Fit Center 2220 is at 5.076328 -2.597836 -0.241673 ESP Fit Center 2221 is at 5.253819 -2.209185 -0.241673 ESP Fit Center 2222 is at 5.010608 -1.786271 -0.545689 ESP Fit Center 2223 is at 4.938414 -1.376839 -0.545689 ESP Fit Center 2224 is at 4.021382 -2.965185 -0.545689 ESP Fit Center 2225 is at 4.412058 -2.822991 -0.545689 ESP Fit Center 2226 is at 4.730540 -2.555753 -0.545689 ESP Fit Center 2227 is at 4.938414 -2.195704 -0.545689 ESP Fit Center 2228 is at 4.534956 -2.202800 -0.774433 ESP Fit Center 2229 is at 2.805446 -0.783017 3.921329 ESP Fit Center 2230 is at 3.232686 -0.783017 3.873191 ESP Fit Center 2231 is at 3.019066 -0.413016 3.873191 ESP Fit Center 2232 is at 2.591826 -0.413016 3.873191 ESP Fit Center 2233 is at 2.378206 -0.783017 3.873191 ESP Fit Center 2234 is at 2.591826 -1.153018 3.873191 ESP Fit Center 2235 is at 3.019066 -1.153018 3.873191 ESP Fit Center 2236 is at 3.638503 -0.783017 3.731189 ESP Fit Center 2237 is at 3.526894 -0.366489 3.731189 ESP Fit Center 2238 is at 3.221975 -0.061569 3.731189 ESP Fit Center 2239 is at 2.805446 0.050040 3.731189 ESP Fit Center 2240 is at 2.388918 -0.061569 3.731189 ESP Fit Center 2241 is at 2.083998 -0.366489 3.731189 ESP Fit Center 2242 is at 1.972389 -0.783017 3.731189 ESP Fit Center 2243 is at 2.083998 -1.199546 3.731189 ESP Fit Center 2244 is at 2.388918 -1.504466 3.731189 ESP Fit Center 2245 is at 2.805446 -1.616074 3.731189 ESP Fit Center 2246 is at 3.221975 -1.504466 3.731189 ESP Fit Center 2247 is at 3.526894 -1.199546 3.731189 ESP Fit Center 2248 is at 4.002547 -0.783017 3.502445 ESP Fit Center 2249 is at 3.930353 -0.373585 3.502445 ESP Fit Center 2250 is at 3.722478 -0.013536 3.502445 ESP Fit Center 2251 is at 3.403996 0.253702 3.502445 ESP Fit Center 2252 is at 3.013320 0.395897 3.502445 ESP Fit Center 2253 is at 2.597572 0.395897 3.502445 ESP Fit Center 2254 is at 2.206896 0.253702 3.502445 ESP Fit Center 2255 is at 1.888414 -0.013536 3.502445 ESP Fit Center 2256 is at 1.680540 -0.373585 3.502445 ESP Fit Center 2257 is at 1.608346 -0.783017 3.502445 ESP Fit Center 2258 is at 1.680540 -1.192450 3.502445 ESP Fit Center 2259 is at 1.888414 -1.552499 3.502445 ESP Fit Center 2260 is at 2.206896 -1.819737 3.502445 ESP Fit Center 2261 is at 2.597572 -1.961931 3.502445 ESP Fit Center 2262 is at 3.013320 -1.961931 3.502445 ESP Fit Center 2263 is at 3.403996 -1.819737 3.502445 ESP Fit Center 2264 is at 3.722478 -1.552499 3.502445 ESP Fit Center 2265 is at 3.930353 -1.192450 3.502445 ESP Fit Center 2266 is at 4.306563 -0.783017 3.198429 ESP Fit Center 2267 is at 4.245757 -0.360104 3.198429 ESP Fit Center 2268 is at 4.068266 0.028548 3.198429 ESP Fit Center 2269 is at 3.788468 0.351451 3.198429 ESP Fit Center 2270 is at 3.429032 0.582446 3.198429 ESP Fit Center 2271 is at 3.019077 0.702820 3.198429 ESP Fit Center 2272 is at 2.591815 0.702820 3.198429 ESP Fit Center 2273 is at 2.181860 0.582446 3.198429 ESP Fit Center 2274 is at 1.822424 0.351451 3.198429 ESP Fit Center 2275 is at 1.542627 0.028548 3.198429 ESP Fit Center 2276 is at 1.365135 -0.360104 3.198429 ESP Fit Center 2277 is at 1.304330 -0.783017 3.198429 ESP Fit Center 2278 is at 1.365135 -1.205931 3.198429 ESP Fit Center 2279 is at 1.542627 -1.594582 3.198429 ESP Fit Center 2280 is at 4.068266 -1.594582 3.198429 ESP Fit Center 2281 is at 4.245757 -1.205931 3.198429 ESP Fit Center 2282 is at 4.535306 -0.783017 2.834386 ESP Fit Center 2283 is at 4.485040 -0.369035 2.834386 ESP Fit Center 2284 is at 4.337161 0.020889 2.834386 ESP Fit Center 2285 is at 4.100265 0.364092 2.834386 ESP Fit Center 2286 is at 3.788119 0.640630 2.834386 ESP Fit Center 2287 is at 3.418863 0.834430 2.834386 ESP Fit Center 2288 is at 3.013958 0.934230 2.834386 ESP Fit Center 2289 is at 2.596935 0.934230 2.834386 ESP Fit Center 2290 is at 2.192029 0.834430 2.834386 ESP Fit Center 2291 is at 1.822774 0.640630 2.834386 ESP Fit Center 2292 is at 1.510627 0.364092 2.834386 ESP Fit Center 2293 is at 1.273731 0.020889 2.834386 ESP Fit Center 2294 is at 1.125853 -0.369035 2.834386 ESP Fit Center 2295 is at 1.075586 -0.783017 2.834386 ESP Fit Center 2296 is at 1.125853 -1.197000 2.834386 ESP Fit Center 2297 is at 4.485040 -1.197000 2.834386 ESP Fit Center 2298 is at 4.630376 -0.366489 2.428569 ESP Fit Center 2299 is at 4.491935 0.029153 2.428569 ESP Fit Center 2300 is at 4.268926 0.384069 2.428569 ESP Fit Center 2301 is at 3.972533 0.680463 2.428569 ESP Fit Center 2302 is at 3.617616 0.903472 2.428569 ESP Fit Center 2303 is at 3.221975 1.041913 2.428569 ESP Fit Center 2304 is at 2.805446 1.088844 2.428569 ESP Fit Center 2305 is at 2.388918 1.041913 2.428569 ESP Fit Center 2306 is at 1.993276 0.903472 2.428569 ESP Fit Center 2307 is at 1.638360 0.680463 2.428569 ESP Fit Center 2308 is at 1.341966 0.384069 2.428569 ESP Fit Center 2309 is at 0.980516 -0.366489 2.428569 ESP Fit Center 2310 is at 4.333945 0.378917 2.001329 ESP Fit Center 2311 is at 4.048428 0.680334 2.001329 ESP Fit Center 2312 is at 3.704790 0.913326 2.001329 ESP Fit Center 2313 is at 3.319101 1.066999 2.001329 ESP Fit Center 2314 is at 2.909393 1.134167 2.001329 ESP Fit Center 2315 is at 2.494825 1.111690 2.001329 ESP Fit Center 2316 is at 3.972533 0.680463 1.574089 ESP Fit Center 2317 is at 0.124536 3.675111 1.735557 ESP Fit Center 2318 is at -0.291992 3.786720 1.735557 ESP Fit Center 2319 is at -0.708521 3.675111 1.735557 ESP Fit Center 2320 is at 0.625040 3.723144 1.506813 ESP Fit Center 2321 is at 0.306558 3.990382 1.506813 ESP Fit Center 2322 is at -0.084118 4.132577 1.506813 ESP Fit Center 2323 is at -0.499866 4.132577 1.506813 ESP Fit Center 2324 is at -0.890542 3.990382 1.506813 ESP Fit Center 2325 is at -1.209024 3.723144 1.506813 ESP Fit Center 2326 is at 0.970827 3.765228 1.202797 ESP Fit Center 2327 is at 0.691030 4.088131 1.202797 ESP Fit Center 2328 is at 0.331594 4.319126 1.202797 ESP Fit Center 2329 is at -0.078361 4.439500 1.202797 ESP Fit Center 2330 is at -0.505623 4.439500 1.202797 ESP Fit Center 2331 is at -0.915578 4.319126 1.202797 ESP Fit Center 2332 is at -1.275014 4.088131 1.202797 ESP Fit Center 2333 is at -1.554812 3.765228 1.202797 ESP Fit Center 2334 is at 1.002827 4.100772 0.838753 ESP Fit Center 2335 is at 0.690680 4.377310 0.838753 ESP Fit Center 2336 is at 0.321425 4.571110 0.838753 ESP Fit Center 2337 is at -0.083481 4.670910 0.838753 ESP Fit Center 2338 is at -0.500504 4.670910 0.838753 ESP Fit Center 2339 is at -0.905409 4.571110 0.838753 ESP Fit Center 2340 is at -1.274665 4.377310 0.838753 ESP Fit Center 2341 is at -1.586811 4.100772 0.838753 ESP Fit Center 2342 is at 0.875094 4.417143 0.432936 ESP Fit Center 2343 is at 0.520178 4.640152 0.432936 ESP Fit Center 2344 is at 0.124536 4.778593 0.432936 ESP Fit Center 2345 is at -0.291992 4.825524 0.432936 ESP Fit Center 2346 is at -0.708521 4.778593 0.432936 ESP Fit Center 2347 is at -1.104162 4.640152 0.432936 ESP Fit Center 2348 is at -1.459079 4.417143 0.432936 ESP Fit Center 2349 is at -1.755472 4.120749 0.432936 ESP Fit Center 2350 is at 0.950990 4.417014 0.005696 ESP Fit Center 2351 is at 0.607352 4.650006 0.005696 ESP Fit Center 2352 is at 0.221662 4.803679 0.005696 ESP Fit Center 2353 is at -0.188045 4.870847 0.005696 ESP Fit Center 2354 is at -0.602614 4.848370 0.005696 ESP Fit Center 2355 is at -1.002657 4.737298 0.005696 ESP Fit Center 2356 is at -1.369471 4.542826 0.005696 ESP Fit Center 2357 is at -1.685903 4.274046 0.005696 ESP Fit Center 2358 is at 0.875094 4.417143 -0.421544 ESP Fit Center 2359 is at 0.520178 4.640152 -0.421544 ESP Fit Center 2360 is at 0.124536 4.778593 -0.421544 ESP Fit Center 2361 is at -0.291992 4.825524 -0.421544 ESP Fit Center 2362 is at -0.708521 4.778593 -0.421544 ESP Fit Center 2363 is at -1.104162 4.640152 -0.421544 ESP Fit Center 2364 is at -1.459079 4.417143 -0.421544 ESP Fit Center 2365 is at -1.755472 4.120749 -0.421544 ESP Fit Center 2366 is at 0.690680 4.377310 -0.827361 ESP Fit Center 2367 is at 0.321425 4.571110 -0.827361 ESP Fit Center 2368 is at -0.083481 4.670910 -0.827361 ESP Fit Center 2369 is at -0.500504 4.670910 -0.827361 ESP Fit Center 2370 is at -0.905409 4.571110 -0.827361 ESP Fit Center 2371 is at -1.274665 4.377310 -0.827361 ESP Fit Center 2372 is at -1.586811 4.100772 -0.827361 ESP Fit Center 2373 is at -1.823707 3.757569 -0.827361 ESP Fit Center 2374 is at 0.691030 4.088131 -1.191404 ESP Fit Center 2375 is at 0.331594 4.319126 -1.191404 ESP Fit Center 2376 is at -0.078361 4.439500 -1.191404 ESP Fit Center 2377 is at -0.505623 4.439500 -1.191404 ESP Fit Center 2378 is at -0.915578 4.319126 -1.191404 ESP Fit Center 2379 is at -1.275014 4.088131 -1.191404 ESP Fit Center 2380 is at -1.554812 3.765228 -1.191404 ESP Fit Center 2381 is at 0.625040 3.723144 -1.495420 ESP Fit Center 2382 is at 0.306558 3.990382 -1.495420 ESP Fit Center 2383 is at -0.084118 4.132577 -1.495420 ESP Fit Center 2384 is at -0.499866 4.132577 -1.495420 ESP Fit Center 2385 is at -0.890542 3.990382 -1.495420 ESP Fit Center 2386 is at -1.209024 3.723144 -1.495420 ESP Fit Center 2387 is at 0.124536 3.675111 -1.724164 ESP Fit Center 2388 is at -0.291992 3.786720 -1.724164 ESP Fit Center 2389 is at -0.708521 3.675111 -1.724164 ESP Fit Center 2390 is at 0.361163 -2.095510 2.024045 ESP Fit Center 2391 is at -0.268985 -2.446958 1.882043 ESP Fit Center 2392 is at 0.147543 -2.558566 1.882043 ESP Fit Center 2393 is at -0.060331 -2.904423 1.653300 ESP Fit Center 2394 is at 0.355417 -2.904423 1.653300 ESP Fit Center 2395 is at -0.066088 -3.211347 1.349284 ESP Fit Center 2396 is at 0.361174 -3.211347 1.349284 ESP Fit Center 2397 is at -0.060969 -3.442757 0.985240 ESP Fit Center 2398 is at 0.356055 -3.442757 0.985240 ESP Fit Center 2399 is at 0.147543 -3.597371 0.579423 ESP Fit Center 2400 is at 0.564071 -3.550440 0.579423 ESP Fit Center 2401 is at 0.251490 -3.642694 0.152183 ESP Fit Center 2402 is at 0.661197 -3.575526 0.152183 ESP Fit Center 2403 is at 1.046887 -3.421853 0.152183 ESP Fit Center 2404 is at 0.147543 -3.597371 -0.275057 ESP Fit Center 2405 is at 0.564071 -3.550440 -0.275057 ESP Fit Center 2406 is at 0.959713 -3.411999 -0.275057 ESP Fit Center 2407 is at -0.060969 -3.442757 -0.680874 ESP Fit Center 2408 is at 0.356055 -3.442757 -0.680874 ESP Fit Center 2409 is at 0.760960 -3.342957 -0.680874 ESP Fit Center 2410 is at -0.066088 -3.211347 -1.044917 ESP Fit Center 2411 is at 0.361174 -3.211347 -1.044917 ESP Fit Center 2412 is at -0.060331 -2.904423 -1.348933 ESP Fit Center 2413 is at -0.268985 -2.446958 -1.577677 ESP Fit Center 2414 is at -2.310731 -1.071779 2.735640 ESP Fit Center 2415 is at -1.893976 -1.071779 2.699179 ESP Fit Center 2416 is at -2.102353 -0.710858 2.699179 ESP Fit Center 2417 is at -2.519109 -0.710858 2.699179 ESP Fit Center 2418 is at -2.727487 -1.071779 2.699179 ESP Fit Center 2419 is at -2.519109 -1.432700 2.699179 ESP Fit Center 2420 is at -2.102353 -1.432700 2.699179 ESP Fit Center 2421 is at -1.489883 -1.071779 2.590903 ESP Fit Center 2422 is at -1.599856 -0.661355 2.590903 ESP Fit Center 2423 is at -1.900307 -0.360903 2.590903 ESP Fit Center 2424 is at -2.310731 -0.250930 2.590903 ESP Fit Center 2425 is at -2.721155 -0.360903 2.590903 ESP Fit Center 2426 is at -3.021607 -0.661355 2.590903 ESP Fit Center 2427 is at -3.131580 -1.071779 2.590903 ESP Fit Center 2428 is at -3.021607 -1.482203 2.590903 ESP Fit Center 2429 is at -2.721155 -1.782654 2.590903 ESP Fit Center 2430 is at -2.310731 -1.892627 2.590903 ESP Fit Center 2431 is at -1.900307 -1.782654 2.590903 ESP Fit Center 2432 is at -1.599856 -1.482203 2.590903 ESP Fit Center 2433 is at -1.110731 -1.071779 2.414101 ESP Fit Center 2434 is at -2.102353 0.109990 2.414101 ESP Fit Center 2435 is at -2.519109 0.109990 2.414101 ESP Fit Center 2436 is at -2.910731 -0.032548 2.414101 ESP Fit Center 2437 is at -3.229985 -0.300434 2.414101 ESP Fit Center 2438 is at -3.438362 -0.661355 2.414101 ESP Fit Center 2439 is at -3.510731 -1.071779 2.414101 ESP Fit Center 2440 is at -3.438362 -1.482203 2.414101 ESP Fit Center 2441 is at -3.229985 -1.843124 2.414101 ESP Fit Center 2442 is at -2.910731 -2.111009 2.414101 ESP Fit Center 2443 is at -1.391478 -1.843124 2.414101 ESP Fit Center 2444 is at -1.183100 -1.482203 2.414101 ESP Fit Center 2445 is at -2.827347 0.381838 2.174147 ESP Fit Center 2446 is at -3.200370 0.188553 2.174147 ESP Fit Center 2447 is at -3.507413 -0.098206 2.174147 ESP Fit Center 2448 is at -3.725704 -0.457169 2.174147 ESP Fit Center 2449 is at -3.839053 -0.861716 2.174147 ESP Fit Center 2450 is at -3.839053 -1.281842 2.174147 ESP Fit Center 2451 is at -3.725704 -1.686388 2.174147 ESP Fit Center 2452 is at -3.507413 -2.045352 2.174147 ESP Fit Center 2453 is at -3.200370 -2.332110 2.174147 ESP Fit Center 2454 is at -3.572391 0.265502 1.878331 ESP Fit Center 2455 is at -3.846781 -0.061503 1.878331 ESP Fit Center 2456 is at -4.038362 -0.442973 1.878331 ESP Fit Center 2457 is at -4.136807 -0.858341 1.878331 ESP Fit Center 2458 is at -4.136807 -1.285216 1.878331 ESP Fit Center 2459 is at -4.038362 -1.700585 1.878331 ESP Fit Center 2460 is at -3.846781 -2.082055 1.878331 ESP Fit Center 2461 is at -3.572391 -2.409060 1.878331 ESP Fit Center 2462 is at -3.887780 0.282073 1.535640 ESP Fit Center 2463 is at -4.128027 -0.063098 1.535640 ESP Fit Center 2464 is at -4.293872 -0.449564 1.535640 ESP Fit Center 2465 is at -4.378528 -0.861504 1.535640 ESP Fit Center 2466 is at -4.378528 -1.282053 1.535640 ESP Fit Center 2467 is at -4.293872 -1.693993 1.535640 ESP Fit Center 2468 is at -4.128027 -2.080460 1.535640 ESP Fit Center 2469 is at -3.887780 -2.425631 1.535640 ESP Fit Center 2470 is at -4.474640 -1.707160 1.156489 ESP Fit Center 2471 is at -4.315288 -2.105200 1.156489 ESP Fit Center 2472 is at -4.083487 -2.465889 1.156489 ESP Fit Center 2473 is at -4.440206 -2.097280 0.752396 ESP Fit Center 2474 is at -4.222874 -2.461032 0.752396 ESP Fit Center 2475 is at -4.389192 -2.271779 0.335640 ESP Fit Center 2476 is at -4.149238 -2.614469 0.335640 ESP Fit Center 2477 is at 1.694562 -2.192122 3.077579 ESP Fit Center 2478 is at 1.908182 -2.562123 3.077579 ESP Fit Center 2479 is at 1.288745 -2.192122 2.935578 ESP Fit Center 2480 is at 1.400354 -2.608650 2.935578 ESP Fit Center 2481 is at 1.705274 -2.913570 2.935578 ESP Fit Center 2482 is at 2.121802 -3.025178 2.935578 ESP Fit Center 2483 is at 2.538331 -2.913570 2.935578 ESP Fit Center 2484 is at 0.996896 -1.782689 2.706834 ESP Fit Center 2485 is at 0.924702 -2.192122 2.706834 ESP Fit Center 2486 is at 0.996896 -2.601554 2.706834 ESP Fit Center 2487 is at 1.204770 -2.961603 2.706834 ESP Fit Center 2488 is at 1.523252 -3.228841 2.706834 ESP Fit Center 2489 is at 1.913928 -3.371035 2.706834 ESP Fit Center 2490 is at 2.329676 -3.371035 2.706834 ESP Fit Center 2491 is at 2.720352 -3.228841 2.706834 ESP Fit Center 2492 is at 0.681491 -1.769208 2.402818 ESP Fit Center 2493 is at 0.620686 -2.192122 2.402818 ESP Fit Center 2494 is at 0.681491 -2.615035 2.402818 ESP Fit Center 2495 is at 0.858983 -3.003687 2.402818 ESP Fit Center 2496 is at 1.138780 -3.326590 2.402818 ESP Fit Center 2497 is at 1.498216 -3.557585 2.402818 ESP Fit Center 2498 is at 1.908171 -3.677959 2.402818 ESP Fit Center 2499 is at 2.335433 -3.677959 2.402818 ESP Fit Center 2500 is at 2.745388 -3.557585 2.402818 ESP Fit Center 2501 is at 0.391942 -2.192122 2.038775 ESP Fit Center 2502 is at 0.442209 -2.606104 2.038775 ESP Fit Center 2503 is at 0.590087 -2.996028 2.038775 ESP Fit Center 2504 is at 0.826983 -3.339231 2.038775 ESP Fit Center 2505 is at 1.139130 -3.615769 2.038775 ESP Fit Center 2506 is at 1.508385 -3.809569 2.038775 ESP Fit Center 2507 is at 1.913291 -3.909369 2.038775 ESP Fit Center 2508 is at 2.330314 -3.909369 2.038775 ESP Fit Center 2509 is at 2.735219 -3.809569 2.038775 ESP Fit Center 2510 is at 3.104475 -3.615769 2.038775 ESP Fit Center 2511 is at 0.435313 -3.004292 1.632958 ESP Fit Center 2512 is at 0.658322 -3.359208 1.632958 ESP Fit Center 2513 is at 0.954716 -3.655602 1.632958 ESP Fit Center 2514 is at 1.309632 -3.878611 1.632958 ESP Fit Center 2515 is at 1.705274 -4.017052 1.632958 ESP Fit Center 2516 is at 2.121802 -4.063983 1.632958 ESP Fit Center 2517 is at 2.538331 -4.017052 1.632958 ESP Fit Center 2518 is at 2.933972 -3.878611 1.632958 ESP Fit Center 2519 is at 0.727891 -3.512505 1.205718 ESP Fit Center 2520 is at 1.044323 -3.781285 1.205718 ESP Fit Center 2521 is at 1.411137 -3.975757 1.205718 ESP Fit Center 2522 is at 1.811181 -4.086829 1.205718 ESP Fit Center 2523 is at 2.225749 -4.109306 1.205718 ESP Fit Center 2524 is at 2.635457 -4.042138 1.205718 ESP Fit Center 2525 is at 3.021146 -3.888465 1.205718 ESP Fit Center 2526 is at 0.954716 -3.655602 0.778478 ESP Fit Center 2527 is at 1.309632 -3.878611 0.778478 ESP Fit Center 2528 is at 1.705274 -4.017052 0.778478 ESP Fit Center 2529 is at 2.121802 -4.063983 0.778478 ESP Fit Center 2530 is at 2.538331 -4.017052 0.778478 ESP Fit Center 2531 is at 2.933972 -3.878611 0.778478 ESP Fit Center 2532 is at 1.139130 -3.615769 0.372661 ESP Fit Center 2533 is at 1.508385 -3.809569 0.372661 ESP Fit Center 2534 is at 1.913291 -3.909369 0.372661 ESP Fit Center 2535 is at 2.330314 -3.909369 0.372661 ESP Fit Center 2536 is at 2.735219 -3.809569 0.372661 ESP Fit Center 2537 is at 1.498216 -3.557585 0.008617 ESP Fit Center 2538 is at 1.908171 -3.677959 0.008617 ESP Fit Center 2539 is at 2.335433 -3.677959 0.008617 ESP Fit Center 2540 is at 2.745388 -3.557585 0.008617 ESP Fit Center 2541 is at 1.266839 -3.484997 -0.510508 ESP Fit Center 2542 is at 1.671744 -3.584798 -0.510508 ESP Fit Center 2543 is at 2.088768 -3.584798 -0.510508 ESP Fit Center 2544 is at 2.493673 -3.484997 -0.510508 ESP Fit Center 2545 is at 2.862929 -3.291197 -0.510508 ESP Fit Center 2546 is at 0.713169 -3.331030 -0.916325 ESP Fit Center 2547 is at 1.068086 -3.554039 -0.916325 ESP Fit Center 2548 is at 1.463728 -3.692480 -0.916325 ESP Fit Center 2549 is at 1.880256 -3.739412 -0.916325 ESP Fit Center 2550 is at 2.296784 -3.692480 -0.916325 ESP Fit Center 2551 is at 2.692426 -3.554039 -0.916325 ESP Fit Center 2552 is at 0.486345 -3.187933 -1.343565 ESP Fit Center 2553 is at 0.802777 -3.456713 -1.343565 ESP Fit Center 2554 is at 1.169591 -3.651185 -1.343565 ESP Fit Center 2555 is at 1.569635 -3.762257 -1.343565 ESP Fit Center 2556 is at 1.984203 -3.784734 -1.343565 ESP Fit Center 2557 is at 2.393910 -3.717566 -1.343565 ESP Fit Center 2558 is at 2.779600 -3.563893 -1.343565 ESP Fit Center 2559 is at 0.055326 -2.284078 -1.770805 ESP Fit Center 2560 is at 0.193767 -2.679720 -1.770805 ESP Fit Center 2561 is at 0.416776 -3.034637 -1.770805 ESP Fit Center 2562 is at 0.713169 -3.331030 -1.770805 ESP Fit Center 2563 is at 1.068086 -3.554039 -1.770805 ESP Fit Center 2564 is at 1.463728 -3.692480 -1.770805 ESP Fit Center 2565 is at 1.880256 -3.739412 -1.770805 ESP Fit Center 2566 is at 2.296784 -3.692480 -1.770805 ESP Fit Center 2567 is at 2.692426 -3.554039 -1.770805 ESP Fit Center 2568 is at 0.200662 -1.453567 -2.176622 ESP Fit Center 2569 is at 0.150396 -1.867550 -2.176622 ESP Fit Center 2570 is at 0.200662 -2.281533 -2.176622 ESP Fit Center 2571 is at 0.348541 -2.671456 -2.176622 ESP Fit Center 2572 is at 0.585437 -3.014660 -2.176622 ESP Fit Center 2573 is at 0.897583 -3.291197 -2.176622 ESP Fit Center 2574 is at 1.266839 -3.484997 -2.176622 ESP Fit Center 2575 is at 1.671744 -3.584798 -2.176622 ESP Fit Center 2576 is at 2.088768 -3.584798 -2.176622 ESP Fit Center 2577 is at 2.493673 -3.484997 -2.176622 ESP Fit Center 2578 is at 2.862929 -3.291197 -2.176622 ESP Fit Center 2579 is at 0.617436 -1.055985 -2.540666 ESP Fit Center 2580 is at 0.439945 -1.444637 -2.540666 ESP Fit Center 2581 is at 0.379140 -1.867550 -2.540666 ESP Fit Center 2582 is at 0.439945 -2.290463 -2.540666 ESP Fit Center 2583 is at 0.617436 -2.679115 -2.540666 ESP Fit Center 2584 is at 0.897234 -3.002018 -2.540666 ESP Fit Center 2585 is at 1.256670 -3.233014 -2.540666 ESP Fit Center 2586 is at 1.666625 -3.353387 -2.540666 ESP Fit Center 2587 is at 2.093887 -3.353387 -2.540666 ESP Fit Center 2588 is at 2.503842 -3.233014 -2.540666 ESP Fit Center 2589 is at 0.755350 -1.458118 -2.844682 ESP Fit Center 2590 is at 0.683156 -1.867550 -2.844682 ESP Fit Center 2591 is at 0.755350 -2.276982 -2.844682 ESP Fit Center 2592 is at 0.963224 -2.637031 -2.844682 ESP Fit Center 2593 is at 1.281706 -2.904269 -2.844682 ESP Fit Center 2594 is at 1.672382 -3.046464 -2.844682 ESP Fit Center 2595 is at 2.088130 -3.046464 -2.844682 ESP Fit Center 2596 is at 2.478806 -2.904269 -2.844682 ESP Fit Center 2597 is at 1.158808 -1.451022 -3.073425 ESP Fit Center 2598 is at 1.047199 -1.867550 -3.073425 ESP Fit Center 2599 is at 1.158808 -2.284078 -3.073425 ESP Fit Center 2600 is at 1.463728 -2.588998 -3.073425 ESP Fit Center 2601 is at 1.880256 -2.700607 -3.073425 ESP Fit Center 2602 is at 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Center 2710 is at -2.741857 -1.469161 -2.898735 ESP Fit Center 2711 is at -2.445676 -1.172980 -2.898735 ESP Fit Center 2712 is at -2.734848 -0.768389 -3.011857 ESP Fit Center 2713 is at -2.940648 -0.411934 -3.011857 ESP Fit Center 2714 is at -3.352247 -0.411934 -3.011857 ESP Fit Center 2715 is at -3.558046 -0.768389 -3.011857 ESP Fit Center 2716 is at -3.352247 -1.124844 -3.011857 ESP Fit Center 2717 is at -2.940648 -1.124844 -3.011857 ESP Fit Center 2718 is at -3.146447 -0.768389 -3.049998 ESP Fit Center 2719 is at -1.912730 -2.347995 2.517891 ESP Fit Center 2720 is at -1.501131 -2.347995 2.479750 ESP Fit Center 2721 is at -1.706930 -1.991540 2.479750 ESP Fit Center 2722 is at -2.324329 -2.347995 2.479750 ESP Fit Center 2723 is at -2.118529 -2.704450 2.479750 ESP Fit Center 2724 is at -1.706930 -2.704450 2.479750 ESP Fit Center 2725 is at -1.103549 -2.347995 2.366629 ESP Fit Center 2726 is at -1.211958 -1.943404 2.366629 ESP Fit Center 2727 is at -2.721911 -2.347995 2.366629 ESP Fit Center 2728 is at -2.613501 -2.752585 2.366629 ESP Fit Center 2729 is at -2.317321 -3.048766 2.366629 ESP Fit Center 2730 is at -1.912730 -3.157176 2.366629 ESP Fit Center 2731 is at -1.508139 -3.048766 2.366629 ESP Fit Center 2732 is at -1.211958 -2.752585 2.366629 ESP Fit Center 2733 is at -0.733522 -2.347995 2.182377 ESP Fit Center 2734 is at -0.813151 -1.922016 2.182377 ESP Fit Center 2735 is at -3.071860 -2.564674 2.182377 ESP Fit Center 2736 is at -2.915313 -2.968768 2.182377 ESP Fit Center 2737 is at -2.623361 -3.289023 2.182377 ESP Fit Center 2738 is at -2.235435 -3.482187 2.182377 ESP Fit Center 2739 is at -1.803926 -3.522172 2.182377 ESP Fit Center 2740 is at -1.387112 -3.403578 2.182377 ESP Fit Center 2741 is at -1.041285 -3.142422 2.182377 ESP Fit Center 2742 is at -0.813151 -2.773974 2.182377 ESP Fit Center 2743 is at -0.403652 -2.347995 1.933271 ESP Fit Center 2744 is at -3.360680 -2.773151 1.933271 ESP Fit Center 2745 is at -3.182247 -3.163864 1.933271 ESP Fit Center 2746 is at -2.900966 -3.488480 1.933271 ESP Fit Center 2747 is at -2.539624 -3.720701 1.933271 ESP Fit Center 2748 is at -2.127494 -3.841713 1.933271 ESP Fit Center 2749 is at -1.697966 -3.841713 1.933271 ESP Fit Center 2750 is at -1.285836 -3.720701 1.933271 ESP Fit Center 2751 is at -0.924494 -3.488480 1.933271 ESP Fit Center 2752 is at -0.643212 -3.163864 1.933271 ESP Fit Center 2753 is at -0.464780 -2.773151 1.933271 ESP Fit Center 2754 is at -3.688202 -2.555518 1.627792 ESP Fit Center 2755 is at -3.592485 -2.959376 1.627792 ESP Fit Center 2756 is at -3.406213 -3.330274 1.627792 ESP Fit Center 2757 is at -3.139427 -3.648218 1.627792 ESP Fit Center 2758 is at -2.806509 -3.896066 1.627792 ESP Fit Center 2759 is at -2.425407 -4.060457 1.627792 ESP Fit Center 2760 is at -2.016667 -4.132529 1.627792 ESP Fit Center 2761 is at -1.602324 -4.108396 1.627792 ESP Fit Center 2762 is at -1.204714 -3.989360 1.627792 ESP Fit Center 2763 is at -0.845274 -3.781837 1.627792 ESP Fit Center 2764 is at 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2872 is at -1.501131 -2.347995 -1.923969 ESP Fit Center 2873 is at -2.118529 -2.704450 -1.923969 ESP Fit Center 2874 is at -1.706930 -2.704450 -1.923969 ESP Fit Center 2875 is at -1.912730 -2.347995 -1.962109 ESP Fit Center 2876 is at -4.348222 -0.406332 1.465792 ESP Fit Center 2877 is at -3.920981 0.426724 1.323791 ESP Fit Center 2878 is at -4.337510 0.315116 1.323791 ESP Fit Center 2879 is at -4.642430 0.010196 1.323791 ESP Fit Center 2880 is at -4.754038 -0.406332 1.323791 ESP Fit Center 2881 is at -4.642430 -0.822861 1.323791 ESP Fit Center 2882 is at -4.519532 0.630387 1.095047 ESP Fit Center 2883 is at -4.838013 0.363149 1.095047 ESP Fit Center 2884 is at -5.045888 0.003100 1.095047 ESP Fit Center 2885 is at -5.118082 -0.406332 1.095047 ESP Fit Center 2886 is at -5.045888 -0.815765 1.095047 ESP Fit Center 2887 is at -4.838013 -1.175814 1.095047 ESP Fit Center 2888 is at -4.544568 0.959131 0.791031 ESP Fit Center 2889 is at -4.904004 0.728136 0.791031 ESP Fit Center 2890 is at 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0.021170 ESP Fit Center 2909 is at -5.607470 0.405838 0.021170 ESP Fit Center 2910 is at -5.745911 0.010196 0.021170 ESP Fit Center 2911 is at -5.792843 -0.406332 0.021170 ESP Fit Center 2912 is at -5.745911 -0.822861 0.021170 ESP Fit Center 2913 is at -5.607470 -1.218503 0.021170 ESP Fit Center 2914 is at -5.384462 -1.573419 0.021170 ESP Fit Center 2915 is at -5.088068 -1.869813 0.021170 ESP Fit Center 2916 is at -4.631647 1.377303 -0.406070 ESP Fit Center 2917 is at -4.998461 1.182830 -0.406070 ESP Fit Center 2918 is at -5.314893 0.914050 -0.406070 ESP Fit Center 2919 is at -5.566147 0.583531 -0.406070 ESP Fit Center 2920 is at -5.740475 0.206726 -0.406070 ESP Fit Center 2921 is at -5.829726 -0.198744 -0.406070 ESP Fit Center 2922 is at -5.829726 -0.613921 -0.406070 ESP Fit Center 2923 is at -5.740475 -1.019391 -0.406070 ESP Fit Center 2924 is at -5.566147 -1.396196 -0.406070 ESP Fit Center 2925 is at -5.314893 -1.726715 -0.406070 ESP Fit Center 2926 is at -4.998461 -1.995495 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ESP Fit Center 2963 is at 3.433455 -2.432620 3.496045 ESP Fit Center 2964 is at 3.759565 -2.158981 3.496045 ESP Fit Center 2965 is at 1.287624 -1.781819 3.274673 ESP Fit Center 2966 is at 1.446168 -2.164578 3.274673 ESP Fit Center 2967 is at 2.409817 -2.904012 3.274673 ESP Fit Center 2968 is at 2.820568 -2.958088 3.274673 ESP Fit Center 2969 is at 3.231319 -2.904012 3.274673 ESP Fit Center 2970 is at 3.614078 -2.745468 3.274673 ESP Fit Center 2971 is at 3.942760 -2.493261 3.274673 ESP Fit Center 2972 is at 4.194967 -2.164578 3.274673 ESP Fit Center 2973 is at 4.353511 -1.781819 3.274673 ESP Fit Center 2974 is at 4.729756 -1.371068 2.999516 ESP Fit Center 2975 is at 0.911379 -1.371068 2.999516 ESP Fit Center 2976 is at 0.959247 -1.795902 2.999516 ESP Fit Center 2977 is at 2.820568 -3.280256 2.999516 ESP Fit Center 2978 is at 3.245402 -3.232389 2.999516 ESP Fit Center 2979 is at 3.648933 -3.091187 2.999516 ESP Fit Center 2980 is at 4.010927 -2.863732 2.999516 ESP Fit Center 2981 is at 4.313231 -2.561428 2.999516 ESP Fit Center 2982 is at 4.540687 -2.199434 2.999516 ESP Fit Center 2983 is at 4.681889 -1.795902 2.999516 ESP Fit Center 2984 is at 4.965440 -0.957678 2.677347 ESP Fit Center 2985 is at 4.848444 -0.559229 2.677347 ESP Fit Center 2986 is at 0.646113 -1.578703 2.677347 ESP Fit Center 2987 is at 3.335547 -3.493841 2.677347 ESP Fit Center 2988 is at 3.727978 -3.358019 2.677347 ESP Fit Center 2989 is at 4.087613 -3.150384 2.677347 ESP Fit Center 2990 is at 5.081203 -0.548264 2.316102 ESP Fit Center 2991 is at 4.903980 -0.168209 2.316102 ESP Fit Center 2992 is at 3.238316 -3.740237 2.316102 ESP Fit Center 2993 is at 3.643371 -3.631703 2.316102 ESP Fit Center 2994 is at 4.023426 -3.454481 2.316102 ESP Fit Center 2995 is at 5.078927 -0.148905 1.924673 ESP Fit Center 2996 is at 4.846964 0.206140 1.924673 ESP Fit Center 2997 is at 4.559727 0.518162 1.924673 ESP Fit Center 2998 is at 3.450938 -3.860345 1.924673 ESP Fit Center 2999 is at 3.852062 -3.722639 1.924673 ESP Fit Center 3000 is at 5.196667 -0.160385 1.512700 ESP Fit Center 3001 is at 4.978021 0.196413 1.512700 ESP Fit Center 3002 is at 4.706251 0.514615 1.512700 ESP Fit Center 3003 is at 3.644641 -3.907306 1.512700 ESP Fit Center 3004 is at 5.028977 0.182292 1.090327 ESP Fit Center 3005 is at 3.334624 -4.021681 1.090327 ESP Fit Center 3006 is at 3.237741 -4.004994 0.667954 ESP Fit Center 3007 is at 3.032619 -3.930150 0.255981 ESP Fit Center 3008 is at 3.450938 -3.860345 0.255981 ESP Fit Center 3009 is at 2.820568 -3.776786 -0.135447 ESP Fit Center 3010 is at 3.238316 -3.740237 -0.135447 ESP Fit Center 3011 is at 3.335547 -3.493841 -0.496693 ESP Fit Center 3012 is at 2.992701 -3.620954 -0.686711 ESP Fit Center 3013 is at 3.404015 -3.510743 -0.686711 ESP Fit Center 3014 is at 3.789942 -3.330782 -0.686711 ESP Fit Center 3015 is at 5.079890 -1.215179 -1.097235 ESP Fit Center 3016 is at 5.043766 -0.790751 -1.097235 ESP Fit Center 3017 is at 3.097596 -3.670204 -1.097235 ESP Fit Center 3018 is 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5.011386 -1.215179 -1.923958 ESP Fit Center 3037 is at 4.974273 -0.790975 -1.923958 ESP Fit Center 3038 is at 4.864062 -0.379661 -1.923958 ESP Fit Center 3039 is at 4.684101 0.006266 -1.923958 ESP Fit Center 3040 is at 3.404015 -3.510743 -1.923958 ESP Fit Center 3041 is at 3.789942 -3.330782 -1.923958 ESP Fit Center 3042 is at 4.138756 -3.086540 -1.923958 ESP Fit Center 3043 is at 4.439859 -2.785437 -1.923958 ESP Fit Center 3044 is at 4.684101 -2.436623 -1.923958 ESP Fit Center 3045 is at 4.864062 -2.050696 -1.923958 ESP Fit Center 3046 is at 4.974273 -1.639382 -1.923958 ESP Fit Center 3047 is at 4.876246 -1.215179 -2.317607 ESP Fit Center 3048 is at 4.836952 -0.791131 -2.317607 ESP Fit Center 3049 is at 4.720409 -0.381523 -2.317607 ESP Fit Center 3050 is at 4.530585 -0.000305 -2.317607 ESP Fit Center 3051 is at 4.273944 0.339542 -2.317607 ESP Fit Center 3052 is at 3.959227 0.626445 -2.317607 ESP Fit Center 3053 is at 3.597150 0.850633 -2.317607 ESP Fit Center 3054 is at 3.200043 1.004473 -2.317607 ESP Fit Center 3055 is at 2.781430 1.082726 -2.317607 ESP Fit Center 3056 is at 3.200043 -3.434830 -2.317607 ESP Fit Center 3057 is at 3.597150 -3.280991 -2.317607 ESP Fit Center 3058 is at 3.959227 -3.056802 -2.317607 ESP Fit Center 3059 is at 4.273944 -2.769899 -2.317607 ESP Fit Center 3060 is at 4.530585 -2.430052 -2.317607 ESP Fit Center 3061 is at 4.720409 -2.048834 -2.317607 ESP Fit Center 3062 is at 4.836952 -1.639226 -2.317607 ESP Fit Center 3063 is at 4.678157 -1.215179 -2.683644 ESP Fit Center 3064 is at 4.634972 -0.790507 -2.683644 ESP Fit Center 3065 is at 4.507186 -0.383222 -2.683644 ESP Fit Center 3066 is at 4.300029 -0.009997 -2.683644 ESP Fit Center 3067 is at 4.021983 0.313887 -2.683644 ESP Fit Center 3068 is at 3.684431 0.575172 -2.683644 ESP Fit Center 3069 is at 3.301193 0.763159 -2.683644 ESP Fit Center 3070 is at 2.887958 0.870153 -2.683644 ESP Fit Center 3071 is at 2.461645 0.891773 -2.683644 ESP Fit Center 3072 is at 2.039706 0.827135 -2.683644 ESP Fit Center 3073 is at 1.639416 0.678883 -2.683644 ESP Fit Center 3074 is at 1.277162 0.453089 -2.683644 ESP Fit Center 3075 is at 0.967776 0.158996 -2.683644 ESP Fit Center 3076 is at 0.723924 -0.191357 -2.683644 ESP Fit Center 3077 is at 0.555588 -0.583624 -2.683644 ESP Fit Center 3078 is at 2.887958 -3.300510 -2.683644 ESP Fit Center 3079 is at 3.301193 -3.193516 -2.683644 ESP Fit Center 3080 is at 3.684431 -3.005529 -2.683644 ESP Fit Center 3081 is at 4.021983 -2.744245 -2.683644 ESP Fit Center 3082 is at 4.300029 -2.420360 -2.683644 ESP Fit Center 3083 is at 4.507186 -2.047135 -2.683644 ESP Fit Center 3084 is at 4.634972 -1.639850 -2.683644 ESP Fit Center 3085 is at 4.422522 -1.215179 -3.012084 ESP Fit Center 3086 is at 4.372546 -0.787611 -3.012084 ESP Fit Center 3087 is at 4.225314 -0.383094 -3.012084 ESP Fit Center 3088 is at 3.988762 -0.023435 -3.012084 ESP Fit Center 3089 is at 3.675644 0.271977 -3.012084 ESP Fit Center 3090 is at 3.302839 0.487216 -3.012084 ESP Fit Center 3091 is at 2.890445 0.610679 -3.012084 ESP Fit Center 3092 is at 2.460695 0.635709 -3.012084 ESP Fit Center 3093 is at 2.036757 0.560957 -3.012084 ESP Fit Center 3094 is at 1.641485 0.390454 -3.012084 ESP Fit Center 3095 is at 1.296189 0.133390 -3.012084 ESP Fit Center 3096 is at 1.019483 -0.196376 -3.012084 ESP Fit Center 3097 is at 0.826285 -0.581065 -3.012084 ESP Fit Center 3098 is at 0.727009 -0.999939 -3.012084 ESP Fit Center 3099 is at 2.890445 -3.041036 -3.012084 ESP Fit Center 3100 is at 3.302839 -2.917573 -3.012084 ESP Fit Center 3101 is at 3.675644 -2.702334 -3.012084 ESP Fit Center 3102 is at 3.988762 -2.406922 -3.012084 ESP Fit Center 3103 is at 4.225314 -2.047263 -3.012084 ESP Fit Center 3104 is at 4.372546 -1.642746 -3.012084 ESP Fit Center 3105 is at 4.116313 -1.215179 -3.293969 ESP Fit Center 3106 is at 4.058916 -0.797583 -3.293969 ESP Fit Center 3107 is at 3.890981 -0.410958 -3.293969 ESP Fit Center 3108 is at 3.624964 -0.083979 -3.293969 ESP Fit Center 3109 is at 3.280593 0.159104 -3.293969 ESP Fit Center 3110 is at 2.883410 0.300264 -3.293969 ESP Fit Center 3111 is at 2.462871 0.329029 -3.293969 ESP Fit Center 3112 is at 2.050165 0.243268 -3.293969 ESP Fit Center 3113 is at 1.675902 0.049341 -3.293969 ESP Fit Center 3114 is at 1.367839 -0.238370 -3.293969 ESP Fit Center 3115 is at 1.148823 -0.598527 -3.293969 ESP Fit Center 3116 is at 1.035098 -1.004418 -3.293969 ESP Fit Center 3117 is at 1.035098 -1.425939 -3.293969 ESP Fit Center 3118 is at 2.462871 -2.759386 -3.293969 ESP Fit Center 3119 is at 2.883410 -2.730621 -3.293969 ESP Fit Center 3120 is at 3.280593 -2.589461 -3.293969 ESP Fit Center 3121 is at 3.624964 -2.346378 -3.293969 ESP Fit Center 3122 is at 3.890981 -2.019399 -3.293969 ESP Fit Center 3123 is at 4.058916 -1.632774 -3.293969 ESP Fit Center 3124 is at 3.767885 -1.215179 -3.521608 ESP Fit Center 3125 is at 3.695553 -0.804964 -3.521608 ESP Fit Center 3126 is at 3.487281 -0.444227 -3.521608 ESP Fit Center 3127 is at 3.168191 -0.176479 -3.521608 ESP Fit Center 3128 is at 2.776769 -0.034012 -3.521608 ESP Fit Center 3129 is at 2.360226 -0.034012 -3.521608 ESP Fit Center 3130 is at 1.968804 -0.176479 -3.521608 ESP Fit Center 3131 is at 1.649713 -0.444227 -3.521608 ESP Fit Center 3132 is at 1.441442 -0.804964 -3.521608 ESP Fit Center 3133 is at 1.369110 -1.215179 -3.521608 ESP Fit Center 3134 is at 1.441442 -1.625393 -3.521608 ESP Fit Center 3135 is at 1.649713 -1.986130 -3.521608 ESP Fit Center 3136 is at 1.968804 -2.253878 -3.521608 ESP Fit Center 3137 is at 2.360226 -2.396345 -3.521608 ESP Fit Center 3138 is at 2.776769 -2.396345 -3.521608 ESP Fit Center 3139 is at 3.168191 -2.253878 -3.521608 ESP Fit Center 3140 is at 3.487281 -1.986130 -3.521608 ESP Fit Center 3141 is at 3.695553 -1.625393 -3.521608 ESP Fit Center 3142 is at 3.386740 -1.215179 -3.688794 ESP Fit Center 3143 is at 3.277116 -0.806057 -3.688794 ESP Fit Center 3144 is at 2.977619 -0.506560 -3.688794 ESP Fit Center 3145 is at 2.568497 -0.396936 -3.688794 ESP Fit Center 3146 is at 2.159376 -0.506560 -3.688794 ESP Fit Center 3147 is at 1.859878 -0.806057 -3.688794 ESP Fit Center 3148 is at 1.750255 -1.215179 -3.688794 ESP Fit Center 3149 is at 1.859878 -1.624300 -3.688794 ESP Fit Center 3150 is at 2.159376 -1.923797 -3.688794 ESP Fit Center 3151 is at 2.568497 -2.033421 -3.688794 ESP Fit Center 3152 is at 2.977619 -1.923797 -3.688794 ESP Fit Center 3153 is at 3.277116 -1.624300 -3.688794 ESP Fit Center 3154 is at 2.983276 -1.215179 -3.790965 ESP Fit Center 3155 is at 2.775887 -0.855970 -3.790965 ESP Fit Center 3156 is at 2.361108 -0.855970 -3.790965 ESP Fit Center 3157 is at 2.153719 -1.215179 -3.790965 ESP Fit Center 3158 is at 2.361108 -1.574387 -3.790965 ESP Fit Center 3159 is at 2.775887 -1.574387 -3.790965 ESP Fit Center 3160 is at 2.568497 -1.215179 -3.825334 ESP Fit Center 3161 is at -2.422309 1.866786 2.818429 ESP Fit Center 3162 is at -2.007531 1.866786 2.784059 ESP Fit Center 3163 is at -2.214920 2.225994 2.784059 ESP Fit Center 3164 is at -2.629698 2.225994 2.784059 ESP Fit Center 3165 is at -2.837088 1.866786 2.784059 ESP Fit Center 3166 is at -2.629698 1.507577 2.784059 ESP Fit Center 3167 is at -2.214920 1.507577 2.784059 ESP Fit Center 3168 is at -1.713690 2.275907 2.681888 ESP Fit Center 3169 is at -2.013188 2.575405 2.681888 ESP Fit Center 3170 is at -2.422309 2.685028 2.681888 ESP Fit Center 3171 is at -2.831431 2.575405 2.681888 ESP Fit Center 3172 is at -3.130928 2.275907 2.681888 ESP Fit Center 3173 is at -3.240552 1.866786 2.681888 ESP Fit Center 3174 is at -3.130928 1.457664 2.681888 ESP Fit Center 3175 is at -2.831431 1.158167 2.681888 ESP Fit Center 3176 is at -2.422309 1.048543 2.681888 ESP Fit Center 3177 is at -1.503525 2.637737 2.514702 ESP Fit Center 3178 is at -1.822616 2.905486 2.514702 ESP Fit Center 3179 is at -2.214038 3.047952 2.514702 ESP Fit Center 3180 is at -2.630581 3.047952 2.514702 ESP Fit Center 3181 is at -3.022003 2.905486 2.514702 ESP Fit Center 3182 is at 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ESP Fit Center 3201 is at -3.314904 0.602267 2.287063 ESP Fit Center 3202 is at -1.687968 3.569181 2.005178 ESP Fit Center 3203 is at -2.100361 3.692643 2.005178 ESP Fit Center 3204 is at -2.530111 3.717673 2.005178 ESP Fit Center 3205 is at -2.954049 3.642921 2.005178 ESP Fit Center 3206 is at -3.349321 3.472418 2.005178 ESP Fit Center 3207 is at -3.694618 3.215354 2.005178 ESP Fit Center 3208 is at -3.971324 2.885589 2.005178 ESP Fit Center 3209 is at -4.164522 2.500899 2.005178 ESP Fit Center 3210 is at -4.263797 2.082025 2.005178 ESP Fit Center 3211 is at -4.263797 1.651547 2.005178 ESP Fit Center 3212 is at -4.164522 1.232672 2.005178 ESP Fit Center 3213 is at -3.971324 0.847983 2.005178 ESP Fit Center 3214 is at -1.689613 3.845123 1.676738 ESP Fit Center 3215 is at -2.102848 3.952117 1.676738 ESP Fit Center 3216 is at -2.529162 3.973737 1.676738 ESP Fit Center 3217 is at -2.951101 3.909099 1.676738 ESP Fit Center 3218 is at -3.351391 3.760848 1.676738 ESP Fit Center 3219 is at -3.713644 3.535053 1.676738 ESP Fit Center 3220 is at -4.023031 3.240960 1.676738 ESP Fit Center 3221 is at -4.266883 2.890608 1.676738 ESP Fit Center 3222 is at -4.435218 2.498340 1.676738 ESP Fit Center 3223 is at -4.521145 2.080216 1.676738 ESP Fit Center 3224 is at -4.521145 1.653355 1.676738 ESP Fit Center 3225 is at -4.435218 1.235231 1.676738 ESP Fit Center 3226 is at -4.266883 0.842964 1.676738 ESP Fit Center 3227 is at -1.790764 4.086438 1.310701 ESP Fit Center 3228 is at -2.209377 4.164690 1.310701 ESP Fit Center 3229 is at -2.635241 4.164690 1.310701 ESP Fit Center 3230 is at -3.053855 4.086438 1.310701 ESP Fit Center 3231 is at -3.450961 3.932598 1.310701 ESP Fit Center 3232 is at -3.813039 3.708409 1.310701 ESP Fit Center 3233 is at -4.127756 3.421506 1.310701 ESP Fit Center 3234 is at -4.384397 3.081659 1.310701 ESP Fit Center 3235 is at -4.574221 2.700441 1.310701 ESP Fit Center 3236 is at -4.690764 2.290833 1.310701 ESP Fit Center 3237 is at -4.730058 1.866786 1.310701 ESP Fit Center 3238 is at -4.690764 1.442738 1.310701 ESP Fit Center 3239 is at -4.574221 1.033131 1.310701 ESP Fit Center 3240 is at -1.998106 4.272561 0.917052 ESP Fit Center 3241 is at -2.422309 4.309674 0.917052 ESP Fit Center 3242 is at -2.846512 4.272561 0.917052 ESP Fit Center 3243 is at -3.257826 4.162350 0.917052 ESP Fit Center 3244 is at -3.643754 3.982389 0.917052 ESP Fit Center 3245 is at -3.992568 3.738147 0.917052 ESP Fit Center 3246 is at -4.293671 3.437044 0.917052 ESP Fit Center 3247 is at -4.537913 3.088230 0.917052 ESP Fit Center 3248 is at -4.717874 2.702303 0.917052 ESP Fit Center 3249 is at -4.828085 2.290989 0.917052 ESP Fit Center 3250 is at -4.865198 1.866786 0.917052 ESP Fit Center 3251 is at -4.828085 1.442582 0.917052 ESP Fit Center 3252 is at -1.893211 4.321811 0.506528 ESP Fit Center 3253 is at -2.315723 4.375916 0.506528 ESP Fit Center 3254 is at -2.741301 4.357837 0.506528 ESP Fit Center 3255 is at -3.157702 4.268096 0.506528 ESP Fit Center 3256 is at -3.552948 4.109273 0.506528 ESP Fit Center 3257 is at -3.915667 3.885938 0.506528 ESP Fit Center 3258 is at -4.235425 3.604516 0.506528 ESP Fit Center 3259 is at -4.503022 3.273102 0.506528 ESP Fit Center 3260 is at -4.710762 2.901232 0.506528 ESP Fit Center 3261 is at -4.852667 2.499602 0.506528 ESP Fit Center 3262 is at -4.924655 2.079767 0.506528 ESP Fit Center 3263 is at -4.924655 1.653805 0.506528 ESP Fit Center 3264 is at -2.315723 4.375916 0.090329 ESP Fit Center 3265 is at -2.741301 4.357837 0.090329 ESP Fit Center 3266 is at -3.157702 4.268096 0.090329 ESP Fit Center 3267 is at -3.552948 4.109273 0.090329 ESP Fit Center 3268 is at -3.915667 3.885938 0.090329 ESP Fit Center 3269 is at -4.235425 3.604516 0.090329 ESP Fit Center 3270 is at -4.503022 3.273102 0.090329 ESP Fit Center 3271 is at -4.710762 2.901232 0.090329 ESP Fit Center 3272 is at -4.852667 2.499602 0.090329 ESP Fit Center 3273 is at -4.924655 2.079767 0.090329 ESP Fit Center 3274 is at -4.924655 1.653805 0.090329 ESP Fit Center 3275 is at -1.998106 4.272561 -0.320195 ESP Fit Center 3276 is at -2.422309 4.309674 -0.320195 ESP Fit Center 3277 is at -2.846512 4.272561 -0.320195 ESP Fit Center 3278 is at -3.257826 4.162350 -0.320195 ESP Fit Center 3279 is at -3.643754 3.982389 -0.320195 ESP Fit Center 3280 is at -3.992568 3.738147 -0.320195 ESP Fit Center 3281 is at -4.293671 3.437044 -0.320195 ESP Fit Center 3282 is at -4.537913 3.088230 -0.320195 ESP Fit Center 3283 is at -4.717874 2.702303 -0.320195 ESP Fit Center 3284 is at -4.828085 2.290989 -0.320195 ESP Fit Center 3285 is at -4.865198 1.866786 -0.320195 ESP Fit Center 3286 is at -2.209377 4.164690 -0.713844 ESP Fit Center 3287 is at -2.635241 4.164690 -0.713844 ESP Fit Center 3288 is at -3.053855 4.086438 -0.713844 ESP Fit Center 3289 is at -3.450961 3.932598 -0.713844 ESP Fit Center 3290 is at -3.813039 3.708409 -0.713844 ESP Fit Center 3291 is at -4.127756 3.421506 -0.713844 ESP Fit Center 3292 is at -4.384397 3.081659 -0.713844 ESP Fit Center 3293 is at -4.574221 2.700441 -0.713844 ESP Fit Center 3294 is at -4.690764 2.290833 -0.713844 ESP Fit Center 3295 is at -4.730058 1.866786 -0.713844 ESP Fit Center 3296 is at -2.102848 3.952117 -1.079881 ESP Fit Center 3297 is at -2.529162 3.973737 -1.079881 ESP Fit Center 3298 is at -2.951101 3.909099 -1.079881 ESP Fit Center 3299 is at -3.351391 3.760848 -1.079881 ESP Fit Center 3300 is at -3.713644 3.535053 -1.079881 ESP Fit Center 3301 is at -4.023031 3.240960 -1.079881 ESP Fit Center 3302 is at -4.266883 2.890608 -1.079881 ESP Fit Center 3303 is at -4.435218 2.498340 -1.079881 ESP Fit Center 3304 is at -4.521145 2.080216 -1.079881 ESP Fit Center 3305 is at -4.521145 1.653355 -1.079881 ESP Fit Center 3306 is at -2.100361 3.692643 -1.408321 ESP Fit Center 3307 is at -2.530111 3.717673 -1.408321 ESP Fit Center 3308 is at -2.954049 3.642921 -1.408321 ESP Fit Center 3309 is at -3.349321 3.472418 -1.408321 ESP Fit Center 3310 is at -3.694618 3.215354 -1.408321 ESP Fit Center 3311 is at -3.971324 2.885589 -1.408321 ESP Fit Center 3312 is at -4.164522 2.500899 -1.408321 ESP Fit Center 3313 is at -4.263797 2.082025 -1.408321 ESP Fit Center 3314 is at -4.263797 1.651547 -1.408321 ESP Fit Center 3315 is at -2.107397 3.382228 -1.690206 ESP Fit Center 3316 is at -2.527936 3.410993 -1.690206 ESP Fit Center 3317 is at -2.940641 3.325232 -1.690206 ESP Fit Center 3318 is at -3.314904 3.131305 -1.690206 ESP Fit Center 3319 is at -3.622968 2.843594 -1.690206 ESP Fit Center 3320 is at -3.841984 2.483437 -1.690206 ESP Fit Center 3321 is at -3.955709 2.077547 -1.690206 ESP Fit Center 3322 is at -3.955709 1.656025 -1.690206 ESP Fit Center 3323 is at -2.214038 3.047952 -1.917845 ESP Fit Center 3324 is at -2.630581 3.047952 -1.917845 ESP Fit Center 3325 is at -3.022003 2.905486 -1.917845 ESP Fit Center 3326 is at -3.341093 2.637737 -1.917845 ESP Fit Center 3327 is at -3.549365 2.277000 -1.917845 ESP Fit Center 3328 is at -3.621697 1.866786 -1.917845 ESP Fit Center 3329 is at -2.422309 2.685028 -2.085031 ESP Fit Center 3330 is at -2.831431 2.575405 -2.085031 ESP Fit Center 3331 is at -3.130928 2.275907 -2.085031 ESP Fit Center 3332 is at -3.240552 1.866786 -2.085031 ESP Fit Center 3333 is at -3.130928 1.457664 -2.085031 ESP Fit Center 3334 is at -2.629698 2.225994 -2.187202 ESP Fit Center 3335 is at -2.837088 1.866786 -2.187202 ESP Fit Center 3336 is at -1.401682 1.253087 2.873459 ESP Fit Center 3337 is at -0.979309 1.253087 2.840218 ESP Fit Center 3338 is at -1.190496 1.618872 2.840218 ESP Fit Center 3339 is at -1.612869 1.618872 2.840218 ESP Fit Center 3340 is at -1.824055 1.253087 2.840218 ESP Fit Center 3341 is at -1.612869 0.887301 2.840218 ESP Fit Center 3342 is at -1.190496 0.887301 2.840218 ESP Fit Center 3343 is at -0.567336 1.253087 2.741312 ESP Fit Center 3344 is at -0.679117 1.670259 2.741312 ESP Fit Center 3345 is at -0.984509 1.975651 2.741312 ESP Fit Center 3346 is at -1.401682 2.087432 2.741312 ESP Fit Center 3347 is at -2.236028 1.253087 2.741312 ESP Fit Center 3348 is at -2.124247 0.835914 2.741312 ESP Fit Center 3349 is at -1.818855 0.530522 2.741312 ESP Fit Center 3350 is at -0.679117 0.835914 2.741312 ESP Fit Center 3351 is at -1.188829 2.460239 2.579177 ESP Fit Center 3352 is at -2.340680 0.465174 2.579177 ESP Fit Center 3353 is at -0.249831 0.833847 2.579177 ESP Fit Center 3354 is at -1.812433 2.786030 -2.010887 ESP Fit Center 3355 is at -1.614536 2.460239 -2.232259 ESP Fit Center 3356 is at -2.014569 2.314638 -2.232259 ESP Fit Center 3357 is at -2.340680 2.040999 -2.232259 ESP Fit Center 3358 is at -2.553533 1.672326 -2.232259 ESP Fit Center 3359 is at -2.627456 1.253087 -2.232259 ESP Fit Center 3360 is at -1.401682 2.087432 -2.394394 ESP Fit Center 3361 is at -1.818855 1.975651 -2.394394 ESP Fit Center 3362 is at -2.124247 1.670259 -2.394394 ESP Fit Center 3363 is at -2.236028 1.253087 -2.394394 ESP Fit Center 3364 is at -0.679117 0.835914 -2.394394 ESP Fit Center 3365 is at -0.979309 1.253087 -2.493299 ESP Fit Center 3366 is at -1.190496 1.618872 -2.493299 ESP Fit Center 3367 is at -1.612869 1.618872 -2.493299 ESP Fit Center 3368 is at -1.824055 1.253087 -2.493299 ESP Fit Center 3369 is at -1.612869 0.887301 -2.493299 ESP Fit Center 3370 is at -1.190496 0.887301 -2.493299 ESP Fit Center 3371 is at -1.401682 1.253087 -2.526541 ESP Fit Center 3372 is at -0.207001 1.960864 2.724759 ESP Fit Center 3373 is at 0.215372 1.960864 2.691517 ESP Fit Center 3374 is at 0.004186 2.326650 2.691517 ESP Fit Center 3375 is at -0.418188 2.326650 2.691517 ESP Fit Center 3376 is at -0.629374 1.960864 2.691517 ESP Fit Center 3377 is at -0.418188 1.595078 2.691517 ESP Fit Center 3378 is at 0.004186 1.595078 2.691517 ESP Fit Center 3379 is at 0.627345 1.960864 2.592611 ESP Fit Center 3380 is at 0.515564 2.378037 2.592611 ESP Fit Center 3381 is at 0.210172 2.683429 2.592611 ESP Fit Center 3382 is at -0.207001 2.795210 2.592611 ESP Fit Center 3383 is at -0.624174 2.683429 2.592611 ESP Fit Center 3384 is at -0.929566 2.378037 2.592611 ESP Fit Center 3385 is at -0.207001 1.126518 2.592611 ESP Fit Center 3386 is at 0.210172 1.238299 2.592611 ESP Fit Center 3387 is at 0.515564 1.543691 2.592611 ESP Fit Center 3388 is at 0.731997 2.748776 2.430476 ESP Fit Center 3389 is at 0.405886 3.022416 2.430476 ESP Fit Center 3390 is at 0.005852 3.168016 2.430476 ESP Fit Center 3391 is at -0.419854 3.168016 2.430476 ESP Fit Center 3392 is at -0.819888 3.022416 2.430476 ESP Fit Center 3393 is at -1.145999 2.748776 2.430476 ESP Fit Center 3394 is at 0.005852 0.753712 2.430476 ESP Fit Center 3395 is at 0.915192 3.083057 2.209105 ESP Fit Center 3396 is at 0.586509 3.335264 2.209105 ESP Fit Center 3397 is at 0.203750 3.493808 2.209105 ESP Fit Center 3398 is at -0.207001 3.547884 2.209105 ESP Fit Center 3399 is at -0.617752 3.493808 2.209105 ESP Fit Center 3400 is at -1.000511 3.335264 2.209105 ESP Fit Center 3401 is at 0.983358 3.453527 1.933947 ESP Fit Center 3402 is at 0.621365 3.680983 1.933947 ESP Fit Center 3403 is at 0.217833 3.822185 1.933947 ESP Fit Center 3404 is at -1.035367 3.680983 1.933947 ESP Fit Center 3405 is at -1.637443 3.611682 -1.562262 ESP Fit Center 3406 is at 0.621365 3.680983 -1.884430 ESP Fit Center 3407 is at -1.397360 3.453527 -1.884430 ESP Fit Center 3408 is at -1.699665 3.151223 -1.884430 ESP Fit Center 3409 is at 0.586509 3.335264 -2.159587 ESP Fit Center 3410 is at 0.203750 3.493808 -2.159587 ESP Fit Center 3411 is at -0.207001 3.547884 -2.159587 ESP Fit Center 3412 is at -0.617752 3.493808 -2.159587 ESP Fit Center 3413 is at -1.000511 3.335264 -2.159587 ESP Fit Center 3414 is at -1.329194 3.083057 -2.159587 ESP Fit Center 3415 is at -1.581401 2.754374 -2.159587 ESP Fit Center 3416 is at 0.405886 3.022416 -2.380959 ESP Fit Center 3417 is at 0.005852 3.168016 -2.380959 ESP Fit Center 3418 is at -0.419854 3.168016 -2.380959 ESP Fit Center 3419 is at -0.819888 3.022416 -2.380959 ESP Fit Center 3420 is at -1.145999 2.748776 -2.380959 ESP Fit Center 3421 is at -1.358852 2.380103 -2.380959 ESP Fit Center 3422 is at -0.419854 0.753712 -2.380959 ESP Fit Center 3423 is at 0.515564 2.378037 -2.543094 ESP Fit Center 3424 is at 0.210172 2.683429 -2.543094 ESP Fit Center 3425 is at -0.207001 2.795210 -2.543094 ESP Fit Center 3426 is at -0.624174 2.683429 -2.543094 ESP Fit Center 3427 is at -0.929566 2.378037 -2.543094 ESP Fit Center 3428 is at -1.041347 1.960864 -2.543094 ESP Fit Center 3429 is at -0.929566 1.543691 -2.543094 ESP Fit Center 3430 is at -0.624174 1.238299 -2.543094 ESP Fit Center 3431 is at -0.207001 1.126518 -2.543094 ESP Fit Center 3432 is at 0.215372 1.960864 -2.642000 ESP Fit Center 3433 is at 0.004186 2.326650 -2.642000 ESP Fit Center 3434 is at -0.418188 2.326650 -2.642000 ESP Fit Center 3435 is at -0.629374 1.960864 -2.642000 ESP Fit Center 3436 is at -0.418188 1.595078 -2.642000 ESP Fit Center 3437 is at 0.004186 1.595078 -2.642000 ESP Fit Center 3438 is at -0.207001 1.960864 -2.675241 ESP Fit Center 3439 is at 1.076864 1.490564 2.651173 ESP Fit Center 3440 is at 1.499237 1.490564 2.617931 ESP Fit Center 3441 is at 1.288051 1.856350 2.617931 ESP Fit Center 3442 is at 0.865677 1.856350 2.617931 ESP Fit Center 3443 is at 0.654491 1.490564 2.617931 ESP Fit Center 3444 is at 0.865677 1.124779 2.617931 ESP Fit Center 3445 is at 1.288051 1.124779 2.617931 ESP Fit Center 3446 is at 1.911210 1.490564 2.519026 ESP Fit Center 3447 is at 1.799429 1.907737 2.519026 ESP Fit Center 3448 is at 1.494037 2.213129 2.519026 ESP Fit Center 3449 is at 1.076864 2.324910 2.519026 ESP Fit Center 3450 is at 0.354299 1.073391 2.519026 ESP Fit Center 3451 is at 1.799429 1.073391 2.519026 ESP Fit Center 3452 is at 2.302638 1.490564 2.356891 ESP Fit Center 3453 is at 2.228715 1.909804 2.356891 ESP Fit Center 3454 is at 1.689751 2.552116 2.356891 ESP Fit Center 3455 is at 1.289717 2.697716 2.356891 ESP Fit Center 3456 is at 1.076864 3.077584 2.135519 ESP Fit Center 3457 is at 0.864011 2.697716 -2.454545 ESP Fit Center 3458 is at 0.137866 0.702652 -2.454545 ESP Fit Center 3459 is at 2.228715 1.071325 -2.454545 ESP Fit Center 3460 is at 1.911210 1.490564 -2.616680 ESP Fit Center 3461 is at 1.076864 2.324910 -2.616680 ESP Fit Center 3462 is at 0.659691 2.213129 -2.616680 ESP Fit Center 3463 is at 0.354299 1.907737 -2.616680 ESP Fit Center 3464 is at 0.242518 1.490564 -2.616680 ESP Fit Center 3465 is at 0.354299 1.073391 -2.616680 ESP Fit Center 3466 is at 0.659691 0.768000 -2.616680 ESP Fit Center 3467 is at 1.076864 0.656218 -2.616680 ESP Fit Center 3468 is at 1.494037 0.768000 -2.616680 ESP Fit Center 3469 is at 1.799429 1.073391 -2.616680 ESP Fit Center 3470 is at 1.499237 1.490564 -2.715586 ESP Fit Center 3471 is at 1.288051 1.856350 -2.715586 ESP Fit Center 3472 is at 0.865677 1.856350 -2.715586 ESP Fit Center 3473 is at 0.654491 1.490564 -2.715586 ESP Fit Center 3474 is at 0.865677 1.124779 -2.715586 ESP Fit Center 3475 is at 1.288051 1.124779 -2.715586 ESP Fit Center 3476 is at 1.076864 1.490564 -2.748827 ESP Fit Center 3477 is at 2.429290 2.244945 2.331932 ESP Fit Center 3478 is at 2.221901 2.604154 2.331932 ESP Fit Center 3479 is at 1.807123 2.604154 2.331932 ESP Fit Center 3480 is at 2.832755 2.244945 2.229761 ESP Fit Center 3481 is at 2.723131 2.654066 2.229761 ESP Fit Center 3482 is at 2.423633 2.953564 2.229761 ESP Fit Center 3483 is at 2.014512 3.063188 2.229761 ESP Fit Center 3484 is at 1.605391 2.953564 2.229761 ESP Fit Center 3485 is at 2.723131 1.835824 2.229761 ESP Fit Center 3486 is at 3.213899 2.244945 2.062575 ESP Fit Center 3487 is at 3.141568 2.655160 2.062575 ESP Fit Center 3488 is at 2.933296 3.015896 2.062575 ESP Fit Center 3489 is at 2.614206 3.283645 2.062575 ESP Fit Center 3490 is at 2.222783 3.426111 2.062575 ESP Fit Center 3491 is at 1.806241 3.426111 2.062575 ESP Fit Center 3492 is at 1.414818 3.283645 2.062575 ESP Fit Center 3493 is at 2.933296 1.473994 2.062575 ESP Fit Center 3494 is at 3.141568 1.834730 2.062575 ESP Fit Center 3495 is at 3.562328 2.244945 1.834935 ESP Fit Center 3496 is at 3.504931 2.662541 1.834935 ESP Fit Center 3497 is at 3.336996 3.049165 1.834935 ESP Fit Center 3498 is at 3.070979 3.376145 1.834935 ESP Fit Center 3499 is at 2.726608 3.619228 1.834935 ESP Fit Center 3500 is at 2.329425 3.760387 1.834935 ESP Fit Center 3501 is at 1.908885 3.789153 1.834935 ESP Fit Center 3502 is at 1.496180 3.703392 1.834935 ESP Fit Center 3503 is at 1.121917 3.509464 1.834935 ESP Fit Center 3504 is at 3.336996 1.440725 1.834935 ESP Fit Center 3505 is at 3.504931 1.827349 1.834935 ESP Fit Center 3506 is at 3.868536 2.244945 1.553051 ESP Fit Center 3507 is at 3.818561 2.672512 1.553051 ESP Fit Center 3508 is at 3.671329 3.077030 1.553051 ESP Fit Center 3509 is at 3.434777 3.436689 1.553051 ESP Fit Center 3510 is at 3.121659 3.732101 1.553051 ESP Fit Center 3511 is at 2.748854 3.947340 1.553051 ESP Fit Center 3512 is at 2.336460 4.070802 1.553051 ESP Fit Center 3513 is at 1.906710 4.095833 1.553051 ESP Fit Center 3514 is at 1.482772 4.021081 1.553051 ESP Fit Center 3515 is at 1.087500 3.850577 1.553051 ESP Fit Center 3516 is at 3.818561 1.817378 1.553051 ESP Fit Center 3517 is at 4.124172 2.244945 1.224611 ESP Fit Center 3518 is at 4.080987 2.669616 1.224611 ESP Fit Center 3519 is at 3.953200 3.076902 1.224611 ESP Fit Center 3520 is at 3.746043 3.450126 1.224611 ESP Fit Center 3521 is at 3.467998 3.774011 1.224611 ESP Fit Center 3522 is at 3.130446 4.035295 1.224611 ESP Fit Center 3523 is at 2.747208 4.223283 1.224611 ESP Fit Center 3524 is at 2.333973 4.330277 1.224611 ESP Fit Center 3525 is at 1.907660 4.351897 1.224611 ESP Fit Center 3526 is at 1.485721 4.287258 1.224611 ESP Fit Center 3527 is at 1.085430 4.139007 1.224611 ESP Fit Center 3528 is at 4.080987 1.820274 1.224611 ESP Fit Center 3529 is at 4.322261 2.244945 0.858574 ESP Fit Center 3530 is at 4.282967 2.668993 0.858574 ESP Fit Center 3531 is at 4.166424 3.078600 0.858574 ESP Fit Center 3532 is at 3.976600 3.459818 0.858574 ESP Fit Center 3533 is at 3.719959 3.799665 0.858574 ESP Fit Center 3534 is at 3.405241 4.086568 0.858574 ESP Fit Center 3535 is at 3.043164 4.310757 0.858574 ESP Fit Center 3536 is at 2.646057 4.464597 0.858574 ESP Fit Center 3537 is at 2.227444 4.542849 0.858574 ESP Fit Center 3538 is at 1.801580 4.542849 0.858574 ESP Fit Center 3539 is at 1.382967 4.464597 0.858574 ESP Fit Center 3540 is at 4.457401 2.244945 0.464925 ESP Fit Center 3541 is at 4.420288 2.669148 0.464925 ESP Fit Center 3542 is at 4.310076 3.080462 0.464925 ESP Fit Center 3543 is at 4.130116 3.466389 0.464925 ESP Fit Center 3544 is at 3.885873 3.815204 0.464925 ESP Fit Center 3545 is at 3.584771 4.116306 0.464925 ESP Fit Center 3546 is at 3.235956 4.360549 0.464925 ESP Fit Center 3547 is at 2.850029 4.540509 0.464925 ESP Fit Center 3548 is at 2.438715 4.650721 0.464925 ESP Fit Center 3549 is at 2.014512 4.687834 0.464925 ESP Fit Center 3550 is at 1.590309 4.650721 0.464925 ESP Fit Center 3551 is at 1.178995 4.540509 0.464925 ESP Fit Center 3552 is at 4.525905 2.244945 0.054401 ESP Fit Center 3553 is at 4.489781 2.669372 0.054401 ESP Fit Center 3554 is at 4.382448 3.081590 0.054401 ESP Fit Center 3555 is at 4.206993 3.469739 0.054401 ESP Fit Center 3556 is at 3.968466 3.822652 0.054401 ESP Fit Center 3557 is at 3.673726 4.130178 0.054401 ESP Fit Center 3558 is at 3.331254 4.383469 0.054401 ESP Fit Center 3559 is at 2.950901 4.575239 0.054401 ESP Fit Center 3560 is at 2.543610 4.699970 0.054401 ESP Fit Center 3561 is at 2.121099 4.754075 0.054401 ESP Fit Center 3562 is at 1.695520 4.735997 0.054401 ESP Fit Center 3563 is at 1.279119 4.646255 0.054401 ESP Fit Center 3564 is at 4.525905 2.244945 -0.361799 ESP Fit Center 3565 is at 4.489781 2.669372 -0.361799 ESP Fit Center 3566 is at 4.382448 3.081590 -0.361799 ESP Fit Center 3567 is at 4.206993 3.469739 -0.361799 ESP Fit Center 3568 is at 3.968466 3.822652 -0.361799 ESP Fit Center 3569 is at 3.673726 4.130178 -0.361799 ESP Fit Center 3570 is at 3.331254 4.383469 -0.361799 ESP Fit Center 3571 is at 2.950901 4.575239 -0.361799 ESP Fit Center 3572 is at 2.543610 4.699970 -0.361799 ESP Fit Center 3573 is at 2.121099 4.754075 -0.361799 ESP Fit Center 3574 is at 1.695520 4.735997 -0.361799 ESP Fit Center 3575 is at 1.279119 4.646255 -0.361799 ESP Fit Center 3576 is at 4.457401 2.244945 -0.772322 ESP Fit Center 3577 is at 4.420288 2.669148 -0.772322 ESP Fit Center 3578 is at 4.310076 3.080462 -0.772322 ESP Fit Center 3579 is at 4.130116 3.466389 -0.772322 ESP Fit Center 3580 is at 3.885873 3.815204 -0.772322 ESP Fit Center 3581 is at 3.584771 4.116306 -0.772322 ESP Fit Center 3582 is at 3.235956 4.360549 -0.772322 ESP Fit Center 3583 is at 2.850029 4.540509 -0.772322 ESP Fit Center 3584 is at 2.438715 4.650721 -0.772322 ESP Fit Center 3585 is at 2.014512 4.687834 -0.772322 ESP Fit Center 3586 is at 1.590309 4.650721 -0.772322 ESP Fit Center 3587 is at 1.178995 4.540509 -0.772322 ESP Fit Center 3588 is at 4.322261 2.244945 -1.165971 ESP Fit Center 3589 is at 4.282967 2.668993 -1.165971 ESP Fit Center 3590 is at 4.166424 3.078600 -1.165971 ESP Fit Center 3591 is at 3.976600 3.459818 -1.165971 ESP Fit Center 3592 is at 3.719959 3.799665 -1.165971 ESP Fit Center 3593 is at 3.405241 4.086568 -1.165971 ESP Fit Center 3594 is at 3.043164 4.310757 -1.165971 ESP Fit Center 3595 is at 2.646057 4.464597 -1.165971 ESP Fit Center 3596 is at 2.227444 4.542849 -1.165971 ESP Fit Center 3597 is at 1.801580 4.542849 -1.165971 ESP Fit Center 3598 is at 1.382967 4.464597 -1.165971 ESP Fit Center 3599 is at 0.985860 4.310757 -1.165971 ESP Fit Center 3600 is at 4.124172 2.244945 -1.532008 ESP Fit Center 3601 is at 4.080987 2.669616 -1.532008 ESP Fit Center 3602 is at 3.953200 3.076902 -1.532008 ESP Fit Center 3603 is at 3.746043 3.450126 -1.532008 ESP Fit Center 3604 is at 3.467998 3.774011 -1.532008 ESP Fit Center 3605 is at 3.130446 4.035295 -1.532008 ESP Fit Center 3606 is at 2.747208 4.223283 -1.532008 ESP Fit Center 3607 is at 2.333973 4.330277 -1.532008 ESP Fit Center 3608 is at 1.907660 4.351897 -1.532008 ESP Fit Center 3609 is at 1.485721 4.287258 -1.532008 ESP Fit Center 3610 is at 1.085430 4.139007 -1.532008 ESP Fit Center 3611 is at 4.080987 1.820274 -1.532008 ESP Fit Center 3612 is at 3.868536 2.244945 -1.860448 ESP Fit Center 3613 is at 3.818561 2.672512 -1.860448 ESP Fit Center 3614 is at 3.671329 3.077030 -1.860448 ESP Fit Center 3615 is at 3.434777 3.436689 -1.860448 ESP Fit Center 3616 is at 3.121659 3.732101 -1.860448 ESP Fit Center 3617 is at 2.748854 3.947340 -1.860448 ESP Fit Center 3618 is at 2.336460 4.070802 -1.860448 ESP Fit Center 3619 is at 1.906710 4.095833 -1.860448 ESP Fit Center 3620 is at 1.482772 4.021081 -1.860448 ESP Fit Center 3621 is at 1.087500 3.850577 -1.860448 ESP Fit Center 3622 is at 3.818561 1.817378 -1.860448 ESP Fit Center 3623 is at 3.562328 2.244945 -2.142333 ESP Fit Center 3624 is at 3.504931 2.662541 -2.142333 ESP Fit Center 3625 is at 3.336996 3.049165 -2.142333 ESP Fit Center 3626 is at 3.070979 3.376145 -2.142333 ESP Fit Center 3627 is at 2.726608 3.619228 -2.142333 ESP Fit Center 3628 is at 2.329425 3.760387 -2.142333 ESP Fit Center 3629 is at 1.908885 3.789153 -2.142333 ESP Fit Center 3630 is at 1.496180 3.703392 -2.142333 ESP Fit Center 3631 is at 1.121917 3.509464 -2.142333 ESP Fit Center 3632 is at 0.813854 3.221753 -2.142333 ESP Fit Center 3633 is at 3.336996 1.440725 -2.142333 ESP Fit Center 3634 is at 3.504931 1.827349 -2.142333 ESP Fit Center 3635 is at 3.213899 2.244945 -2.369972 ESP Fit Center 3636 is at 3.141568 2.655160 -2.369972 ESP Fit Center 3637 is at 2.933296 3.015896 -2.369972 ESP Fit Center 3638 is at 2.614206 3.283645 -2.369972 ESP Fit Center 3639 is at 2.222783 3.426111 -2.369972 ESP Fit Center 3640 is at 1.806241 3.426111 -2.369972 ESP Fit Center 3641 is at 1.414818 3.283645 -2.369972 ESP Fit Center 3642 is at 1.095728 3.015896 -2.369972 ESP Fit Center 3643 is at 2.614206 1.206245 -2.369972 ESP Fit Center 3644 is at 2.933296 1.473994 -2.369972 ESP Fit Center 3645 is at 3.141568 1.834730 -2.369972 ESP Fit Center 3646 is at 2.832755 2.244945 -2.537158 ESP Fit Center 3647 is at 2.723131 2.654066 -2.537158 ESP Fit Center 3648 is at 2.423633 2.953564 -2.537158 ESP Fit Center 3649 is at 2.014512 3.063188 -2.537158 ESP Fit Center 3650 is at 1.605391 2.953564 -2.537158 ESP Fit Center 3651 is at 1.305893 2.654066 -2.537158 ESP Fit Center 3652 is at 2.423633 1.536326 -2.537158 ESP Fit Center 3653 is at 2.723131 1.835824 -2.537158 ESP Fit Center 3654 is at 2.429290 2.244945 -2.639329 ESP Fit Center 3655 is at 2.221901 2.604154 -2.639329 ESP Fit Center 3656 is at 1.807123 2.604154 -2.639329 ESP Fit Center 3657 is at 1.599734 2.244945 -2.639329 ESP Fit Center 3658 is at 1.807123 1.885736 -2.639329 ESP Fit Center 3659 is at 2.221901 1.885736 -2.639329 ESP Fit Center 3660 is at 2.014512 2.244945 -2.673699 ESP Fit Center 3661 is at 0.968151 0.502989 2.704546 ESP Fit Center 3662 is at 0.756965 0.137203 2.704546 ESP Fit Center 3663 is at 1.179338 0.971549 2.605640 ESP Fit Center 3664 is at 0.762165 0.859768 2.605640 ESP Fit Center 3665 is at 0.456773 0.554376 2.605640 ESP Fit Center 3666 is at 0.027487 0.556442 -2.367931 ESP Fit Center 3667 is at 0.456773 0.554376 -2.530066 ESP Fit Center 3668 is at 0.344992 0.137203 -2.530066 ESP Fit Center 3669 is at 0.456773 -0.279970 -2.530066 ESP Fit Center 3670 is at 0.968151 0.502989 -2.628971 ESP Fit Center 3671 is at 0.756965 0.137203 -2.628971 ESP Fit Center 3672 is at 0.033974 -0.662416 2.820034 ESP Fit Center 3673 is at 0.456347 -0.662416 2.786792 ESP Fit Center 3674 is at 0.245161 -0.296630 2.786792 ESP Fit Center 3675 is at -0.177212 -0.296630 2.786792 ESP Fit Center 3676 is at -0.388399 -0.662416 2.786792 ESP Fit Center 3677 is at -0.177212 -1.028201 2.786792 ESP Fit Center 3678 is at 0.245161 -1.028201 2.786792 ESP Fit Center 3679 is at 0.756539 -0.245243 2.687887 ESP Fit Center 3680 is at 0.451147 0.060149 2.687887 ESP Fit Center 3681 is at 0.033974 0.171930 2.687887 ESP Fit Center 3682 is at -0.688590 -1.079588 2.687887 ESP Fit Center 3683 is at -0.383199 -1.384980 2.687887 ESP Fit Center 3684 is at 0.033974 -1.496761 2.687887 ESP Fit Center 3685 is at 0.451147 -1.384980 2.687887 ESP Fit Center 3686 is at -0.578913 -1.723967 2.525752 ESP Fit Center 3687 is at -0.178879 -1.869568 2.525752 ESP Fit Center 3688 is at 0.246828 -1.869568 2.525752 ESP Fit Center 3689 is at -0.376777 -2.195359 2.304380 ESP Fit Center 3690 is at 0.033974 -2.249436 2.304380 ESP Fit Center 3691 is at -0.390860 -2.523737 -1.789154 ESP Fit Center 3692 is at -1.088218 -1.784608 -2.064312 ESP Fit Center 3693 is at -0.759536 -2.036815 -2.064312 ESP Fit Center 3694 is at -0.376777 -2.195359 -2.064312 ESP Fit Center 3695 is at -0.178879 0.544737 -2.285684 ESP Fit Center 3696 is at -0.905023 -1.450328 -2.285684 ESP Fit Center 3697 is at -0.578913 -1.723967 -2.285684 ESP Fit Center 3698 is at -0.178879 -1.869568 -2.285684 ESP Fit Center 3699 is at 0.033974 0.171930 -2.447819 ESP Fit Center 3700 is at -0.383199 0.060149 -2.447819 ESP Fit Center 3701 is at -0.688590 -1.079588 -2.447819 ESP Fit Center 3702 is at -0.383199 -1.384980 -2.447819 ESP Fit Center 3703 is at 0.033974 -1.496761 -2.447819 ESP Fit Center 3704 is at 0.245161 -0.296630 -2.546725 ESP Fit Center 3705 is at -0.177212 -0.296630 -2.546725 ESP Fit Center 3706 is at -0.388399 -0.662416 -2.546725 ESP Fit Center 3707 is at -0.177212 -1.028201 -2.546725 ESP Fit Center 3708 is at 0.245161 -1.028201 -2.546725 ESP Fit Center 3709 is at 0.033974 -0.662416 -2.579966 ESP Fit Center 3710 is at -1.207492 -0.199427 2.871695 ESP Fit Center 3711 is at -0.785118 -0.199427 2.838453 ESP Fit Center 3712 is at -0.996305 0.166359 2.838453 ESP Fit Center 3713 is at -1.418678 0.166359 2.838453 ESP Fit Center 3714 is at -1.629865 -0.199427 2.838453 ESP Fit Center 3715 is at -1.418678 -0.565213 2.838453 ESP Fit Center 3716 is at -0.996305 -0.565213 2.838453 ESP Fit Center 3717 is at -0.484927 0.217746 2.739547 ESP Fit Center 3718 is at -0.790319 0.523138 2.739547 ESP Fit Center 3719 is at -1.930056 0.217746 2.739547 ESP Fit Center 3720 is at -0.790319 -0.921992 2.739547 ESP Fit Center 3721 is at -0.268494 0.588486 2.577412 ESP Fit Center 3722 is at -0.484927 0.217746 -2.396158 ESP Fit Center 3723 is at -0.790319 0.523138 -2.396158 ESP Fit Center 3724 is at -0.785118 -0.199427 -2.495064 ESP Fit Center 3725 is at -0.996305 0.166359 -2.495064 ESP Fit Center 3726 is at -1.418678 0.166359 -2.495064 ESP Fit Center 3727 is at -0.996305 -0.565213 -2.495064 ESP Fit Center 3728 is at -1.207492 -0.199427 -2.528305 ESP Fit Center 3729 is at 4.111962 1.071976 1.599995 ESP Fit Center 3730 is at 3.792700 1.339868 1.599995 ESP Fit Center 3731 is at 4.663397 0.712685 1.331371 ESP Fit Center 3732 is at 4.497682 1.094197 1.331371 ESP Fit Center 3733 is at 4.235182 1.416853 1.331371 ESP Fit Center 3734 is at 4.988659 0.300610 1.004052 ESP Fit Center 3735 is at 4.940248 0.714791 1.004052 ESP Fit Center 3736 is at 4.797626 1.106642 1.004052 ESP Fit Center 3737 is at 4.568481 1.455040 1.004052 ESP Fit Center 3738 is at 4.265166 1.741203 1.004052 ESP Fit Center 3739 is at 5.188264 0.300610 0.630617 ESP Fit Center 3740 is at 5.144656 0.715515 0.630617 ESP Fit Center 3741 is at 5.015737 1.112286 0.630617 ESP Fit Center 3742 is at 4.807142 1.473583 0.630617 ESP Fit Center 3743 is at 4.527988 1.783615 0.630617 ESP Fit Center 3744 is at 5.311181 0.300610 0.225416 ESP Fit Center 3745 is at 5.270474 0.713908 0.225416 ESP Fit Center 3746 is at 5.149920 1.111324 0.225416 ESP Fit Center 3747 is at 4.954150 1.477584 0.225416 ESP Fit Center 3748 is at 4.690687 1.798613 0.225416 ESP Fit Center 3749 is at 5.270474 -0.112688 0.225416 ESP Fit Center 3750 is at 5.352684 0.300610 -0.195979 ESP Fit Center 3751 is at 5.313650 0.709393 -0.195979 ESP Fit Center 3752 is at 5.197959 1.103401 -0.195979 ESP Fit Center 3753 is at 5.009792 1.468394 -0.195979 ESP Fit Center 3754 is at 4.755950 1.791181 -0.195979 ESP Fit Center 3755 is at 5.197959 -0.502181 -0.195979 ESP Fit Center 3756 is at 5.313650 -0.108172 -0.195979 ESP Fit Center 3757 is at 5.311181 0.300610 -0.617374 ESP Fit Center 3758 is at 5.270474 0.713908 -0.617374 ESP Fit Center 3759 is at 5.149920 1.111324 -0.617374 ESP Fit Center 3760 is at 4.954150 1.477584 -0.617374 ESP Fit Center 3761 is at 4.690687 1.798613 -0.617374 ESP Fit Center 3762 is at 5.149920 -0.510103 -0.617374 ESP Fit Center 3763 is at 5.270474 -0.112688 -0.617374 ESP Fit Center 3764 is at 5.188264 0.300610 -1.022575 ESP Fit Center 3765 is at 5.144656 0.715515 -1.022575 ESP Fit Center 3766 is at 5.015737 1.112286 -1.022575 ESP Fit Center 3767 is at 4.807142 1.473583 -1.022575 ESP Fit Center 3768 is at 4.527988 1.783615 -1.022575 ESP Fit Center 3769 is at 5.144656 -0.114294 -1.022575 ESP Fit Center 3770 is at 4.988659 0.300610 -1.396011 ESP Fit Center 3771 is at 4.940248 0.714791 -1.396011 ESP Fit Center 3772 is at 4.797626 1.106642 -1.396011 ESP Fit Center 3773 is at 4.568481 1.455040 -1.396011 ESP Fit Center 3774 is at 4.265166 1.741203 -1.396011 ESP Fit Center 3775 is at 4.940248 -0.113570 -1.396011 ESP Fit Center 3776 is at 4.720035 0.300610 -1.723330 ESP Fit Center 3777 is at 4.663397 0.712685 -1.723330 ESP Fit Center 3778 is at 4.497682 1.094197 -1.723330 ESP Fit Center 3779 is at 4.235182 1.416853 -1.723330 ESP Fit Center 3780 is at 4.320345 0.711045 -1.991954 ESP Fit Center 3781 is at 4.111962 1.071976 -1.991954 ESP Fit Center 3782 is at 3.792700 1.339868 -1.991954 ESP Fit Center 3783 is at 3.605982 1.016464 -2.191559 ESP Fit Center 3784 is at 3.192684 1.127207 -2.191559 ESP Fit Center 3785 is at 5.013540 -1.786271 2.751402 ESP Fit Center 3786 is at 4.413524 -2.825529 2.751402 ESP Fit Center 3787 is at 4.732786 -2.557637 2.751402 ESP Fit Center 3788 is at 4.941169 -2.196706 2.751402 ESP Fit Center 3789 is at 5.340859 -1.786271 2.482778 ESP Fit Center 3790 is at 5.284220 -1.374197 2.482778 ESP Fit Center 3791 is at 5.118506 -0.992684 2.482778 ESP Fit Center 3792 is at 4.516189 -3.142383 2.482778 ESP Fit Center 3793 is at 4.856006 -2.902514 2.482778 ESP Fit Center 3794 is at 5.118506 -2.579858 2.482778 ESP Fit Center 3795 is at 5.284220 -2.198346 2.482778 ESP Fit Center 3796 is at 5.609482 -1.786271 2.155459 ESP Fit Center 3797 is at 5.561072 -1.372091 2.155459 ESP Fit Center 3798 is at 5.418449 -0.980240 2.155459 ESP Fit Center 3799 is at 5.189304 -0.631841 2.155459 ESP Fit Center 3800 is at 4.125376 -3.554961 2.155459 ESP Fit Center 3801 is at 4.524857 -3.435364 2.155459 ESP Fit Center 3802 is at 4.885990 -3.226864 2.155459 ESP Fit Center 3803 is at 5.189304 -2.940701 2.155459 ESP Fit Center 3804 is at 5.418449 -2.592303 2.155459 ESP Fit Center 3805 is at 5.561072 -2.200452 2.155459 ESP Fit Center 3806 is at 5.809088 -1.786271 1.782023 ESP Fit Center 3807 is at 5.765480 -1.371367 1.782023 ESP Fit Center 3808 is at 5.636561 -0.974596 1.782023 ESP Fit Center 3809 is at 5.427966 -0.613299 1.782023 ESP Fit Center 3810 is at 4.022103 -3.770919 1.782023 ESP Fit Center 3811 is at 4.430176 -3.684181 1.782023 ESP Fit Center 3812 is at 4.811298 -3.514494 1.782023 ESP Fit Center 3813 is at 5.148812 -3.269276 1.782023 ESP Fit Center 3814 is at 5.427966 -2.959244 1.782023 ESP Fit Center 3815 is at 5.636561 -2.597947 1.782023 ESP Fit Center 3816 is at 5.765480 -2.201176 1.782023 ESP Fit Center 3817 is at 5.932004 -1.786271 1.376822 ESP Fit Center 3818 is at 5.891298 -1.372973 1.376822 ESP Fit Center 3819 is at 5.770743 -0.975558 1.376822 ESP Fit Center 3820 is at 5.574973 -0.609298 1.376822 ESP Fit Center 3821 is at 5.311511 -0.288268 1.376822 ESP Fit Center 3822 is at 3.813508 -3.904768 1.376822 ESP Fit Center 3823 is at 4.226806 -3.864061 1.376822 ESP Fit Center 3824 is at 4.624221 -3.743507 1.376822 ESP Fit Center 3825 is at 4.990481 -3.547737 1.376822 ESP Fit Center 3826 is at 5.311511 -3.284274 1.376822 ESP Fit Center 3827 is at 5.574973 -2.963245 1.376822 ESP Fit Center 3828 is at 5.770743 -2.596985 1.376822 ESP Fit Center 3829 is at 5.891298 -2.199569 1.376822 ESP Fit Center 3830 is at 5.973508 -1.786271 0.955427 ESP Fit Center 3831 is at 5.934474 -1.377489 0.955427 ESP Fit Center 3832 is at 5.818783 -0.983480 0.955427 ESP Fit Center 3833 is at 5.630616 -0.618487 0.955427 ESP Fit Center 3834 is at 5.376774 -0.295701 0.955427 ESP Fit Center 3835 is at 3.916285 -3.943825 0.955427 ESP Fit Center 3836 is at 4.322747 -3.885384 0.955427 ESP Fit Center 3837 is at 4.710804 -3.751076 0.955427 ESP Fit Center 3838 is at 5.066431 -3.545755 0.955427 ESP Fit Center 3839 is at 5.376774 -3.276842 0.955427 ESP Fit Center 3840 is at 5.630616 -2.954056 0.955427 ESP Fit Center 3841 is at 5.818783 -2.589062 0.955427 ESP Fit Center 3842 is at 5.934474 -2.195054 0.955427 ESP Fit Center 3843 is at 5.932004 -1.786271 0.534032 ESP Fit Center 3844 is at 5.891298 -1.372973 0.534032 ESP Fit Center 3845 is at 5.770743 -0.975558 0.534032 ESP Fit Center 3846 is at 5.574973 -0.609298 0.534032 ESP Fit Center 3847 is at 5.311511 -0.288268 0.534032 ESP Fit Center 3848 is at 3.813508 -3.904768 0.534032 ESP Fit Center 3849 is at 4.226806 -3.864061 0.534032 ESP Fit Center 3850 is at 4.624221 -3.743507 0.534032 ESP Fit Center 3851 is at 4.990481 -3.547737 0.534032 ESP Fit Center 3852 is at 5.311511 -3.284274 0.534032 ESP Fit Center 3853 is at 5.574973 -2.963245 0.534032 ESP Fit Center 3854 is at 5.770743 -2.596985 0.534032 ESP Fit Center 3855 is at 5.891298 -2.199569 0.534032 ESP Fit Center 3856 is at 5.809088 -1.786271 0.128831 ESP Fit Center 3857 is at 5.765480 -1.371367 0.128831 ESP Fit Center 3858 is at 5.636561 -0.974596 0.128831 ESP Fit Center 3859 is at 5.427966 -0.613299 0.128831 ESP Fit Center 3860 is at 3.604913 -3.770919 0.128831 ESP Fit Center 3861 is at 4.022103 -3.770919 0.128831 ESP Fit Center 3862 is at 4.430176 -3.684181 0.128831 ESP Fit Center 3863 is at 4.811298 -3.514494 0.128831 ESP Fit Center 3864 is at 5.148812 -3.269276 0.128831 ESP Fit Center 3865 is at 5.427966 -2.959244 0.128831 ESP Fit Center 3866 is at 5.636561 -2.597947 0.128831 ESP Fit Center 3867 is at 5.765480 -2.201176 0.128831 ESP Fit Center 3868 is at 5.609482 -1.786271 -0.244604 ESP Fit Center 3869 is at 5.561072 -1.372091 -0.244604 ESP Fit Center 3870 is at 5.418449 -0.980240 -0.244604 ESP Fit Center 3871 is at 5.189304 -0.631841 -0.244604 ESP Fit Center 3872 is at 3.709081 -3.579207 -0.244604 ESP Fit Center 3873 is at 4.125376 -3.554961 -0.244604 ESP Fit Center 3874 is at 4.524857 -3.435364 -0.244604 ESP Fit Center 3875 is at 4.885990 -3.226864 -0.244604 ESP Fit Center 3876 is at 5.189304 -2.940701 -0.244604 ESP Fit Center 3877 is at 5.418449 -2.592303 -0.244604 ESP Fit Center 3878 is at 5.561072 -2.200452 -0.244604 ESP Fit Center 3879 is at 5.340859 -1.786271 -0.571923 ESP Fit Center 3880 is at 5.284220 -1.374197 -0.571923 ESP Fit Center 3881 is at 5.118506 -0.992684 -0.571923 ESP Fit Center 3882 is at 4.124257 -3.281676 -0.571923 ESP Fit Center 3883 is at 4.516189 -3.142383 -0.571923 ESP Fit Center 3884 is at 4.856006 -2.902514 -0.571923 ESP Fit Center 3885 is at 5.118506 -2.579858 -0.571923 ESP Fit Center 3886 is at 5.284220 -2.198346 -0.571923 ESP Fit Center 3887 is at 5.013540 -1.786271 -0.840547 ESP Fit Center 3888 is at 4.732786 -2.557637 -0.840547 ESP Fit Center 3889 is at 4.941169 -2.196706 -0.840547 ESP Fit Center 3890 is at 2.805446 -0.783017 4.161329 ESP Fit Center 3891 is at 3.226841 -0.783017 4.119825 ESP Fit Center 3892 is at 3.016144 -0.418078 4.119825 ESP Fit Center 3893 is at 2.594749 -0.418078 4.119825 ESP Fit Center 3894 is at 2.384051 -0.783017 4.119825 ESP Fit Center 3895 is at 2.594749 -1.147956 4.119825 ESP Fit Center 3896 is at 3.016144 -1.147956 4.119825 ESP Fit Center 3897 is at 3.632042 -0.783017 3.996909 ESP Fit Center 3898 is at 3.521299 -0.369719 3.996909 ESP Fit Center 3899 is at 3.218744 -0.067164 3.996909 ESP Fit Center 3900 is at 2.805446 0.043579 3.996909 ESP Fit Center 3901 is at 2.392148 -0.067164 3.996909 ESP Fit Center 3902 is at 2.089593 -0.369719 3.996909 ESP Fit Center 3903 is at 1.978850 -0.783017 3.996909 ESP Fit Center 3904 is at 2.089593 -1.196315 3.996909 ESP Fit Center 3905 is at 2.392148 -1.498871 3.996909 ESP Fit Center 3906 is at 2.805446 -1.609613 3.996909 ESP Fit Center 3907 is at 3.218744 -1.498871 3.996909 ESP Fit Center 3908 is at 3.521299 -1.196315 3.996909 ESP Fit Center 3909 is at 4.005478 -0.783017 3.797303 ESP Fit Center 3910 is at 3.933107 -0.372582 3.797303 ESP Fit Center 3911 is at 3.724724 -0.011652 3.797303 ESP Fit Center 3912 is at 3.405462 0.256241 3.797303 ESP Fit Center 3913 is at 3.013829 0.398783 3.797303 ESP Fit Center 3914 is at 2.597063 0.398783 3.797303 ESP Fit Center 3915 is at 2.205430 0.256241 3.797303 ESP Fit Center 3916 is at 1.886169 -0.011652 3.797303 ESP Fit Center 3917 is at 1.677785 -0.372582 3.797303 ESP Fit Center 3918 is at 1.605414 -0.783017 3.797303 ESP Fit Center 3919 is at 1.677785 -1.193452 3.797303 ESP Fit Center 3920 is at 1.886169 -1.554383 3.797303 ESP Fit Center 3921 is at 2.205430 -1.822275 3.797303 ESP Fit Center 3922 is at 2.597063 -1.964818 3.797303 ESP Fit Center 3923 is at 3.013829 -1.964818 3.797303 ESP Fit Center 3924 is at 3.405462 -1.822275 3.797303 ESP Fit Center 3925 is at 3.724724 -1.554383 3.797303 ESP Fit Center 3926 is at 3.933107 -1.193452 3.797303 ESP Fit Center 3927 is at 4.332797 -0.783017 3.528680 ESP Fit Center 3928 is at 4.276158 -0.370943 3.528680 ESP Fit Center 3929 is at 4.110444 0.010570 3.528680 ESP Fit Center 3930 is at 3.847944 0.333226 3.528680 ESP Fit Center 3931 is at 3.508127 0.573095 3.528680 ESP Fit Center 3932 is at 3.116195 0.712387 3.528680 ESP Fit Center 3933 is at 2.701216 0.740773 3.528680 ESP Fit Center 3934 is at 2.293968 0.656146 3.528680 ESP Fit Center 3935 is at 1.924653 0.464782 3.528680 ESP Fit Center 3936 is at 1.620663 0.180875 3.528680 ESP Fit Center 3937 is at 1.404543 -0.174519 3.528680 ESP Fit Center 3938 is at 1.292321 -0.575043 3.528680 ESP Fit Center 3939 is at 1.292321 -0.990991 3.528680 ESP Fit Center 3940 is at 1.404543 -1.391515 3.528680 ESP Fit Center 3941 is at 1.620663 -1.746910 3.528680 ESP Fit Center 3942 is at 4.110444 -1.576604 3.528680 ESP Fit Center 3943 is at 4.276158 -1.195092 3.528680 ESP Fit Center 3944 is at 4.601420 -0.783017 3.201361 ESP Fit Center 3945 is at 4.553010 -0.368837 3.201361 ESP Fit Center 3946 is at 4.410387 0.023015 3.201361 ESP Fit Center 3947 is at 4.181242 0.371413 3.201361 ESP Fit Center 3948 is at 3.877928 0.657575 3.201361 ESP Fit Center 3949 is at 3.516795 0.866075 3.201361 ESP Fit Center 3950 is at 3.117314 0.985672 3.201361 ESP Fit Center 3951 is at 2.701020 1.009919 3.201361 ESP Fit Center 3952 is at 2.290355 0.937507 3.201361 ESP Fit Center 3953 is at 1.907459 0.772342 3.201361 ESP Fit Center 3954 is at 1.572974 0.523327 3.201361 ESP Fit Center 3955 is at 1.304931 0.203887 3.201361 ESP Fit Center 3956 is at 1.117782 -0.168758 3.201361 ESP Fit Center 3957 is at 1.021616 -0.574517 3.201361 ESP Fit Center 3958 is at 1.021616 -0.991517 3.201361 ESP Fit Center 3959 is at 1.117782 -1.397277 3.201361 ESP Fit Center 3960 is at 4.553010 -1.197197 3.201361 ESP Fit Center 3961 is at 4.757418 -0.368113 2.827925 ESP Fit Center 3962 is at 4.628499 0.028658 2.827925 ESP Fit Center 3963 is at 4.419904 0.389955 2.827925 ESP Fit Center 3964 is at 4.140750 0.699988 2.827925 ESP Fit Center 3965 is at 3.803236 0.945206 2.827925 ESP Fit Center 3966 is at 3.422114 1.114892 2.827925 ESP Fit Center 3967 is at 3.014041 1.201631 2.827925 ESP Fit Center 3968 is at 2.596851 1.201631 2.827925 ESP Fit Center 3969 is at 2.188778 1.114892 2.827925 ESP Fit Center 3970 is at 1.807656 0.945206 2.827925 ESP Fit Center 3971 is at 1.470143 0.699988 2.827925 ESP Fit Center 3972 is at 1.190988 0.389955 2.827925 ESP Fit Center 3973 is at 0.982393 0.028658 2.827925 ESP Fit Center 3974 is at 0.853475 -0.368113 2.827925 ESP Fit Center 3975 is at 0.809866 -0.783017 2.827925 ESP Fit Center 3976 is at 4.762681 0.027696 2.422724 ESP Fit Center 3977 is at 4.566911 0.393956 2.422724 ESP Fit Center 3978 is at 4.303449 0.714986 2.422724 ESP Fit Center 3979 is at 3.982420 0.978448 2.422724 ESP Fit Center 3980 is at 3.616160 1.174218 2.422724 ESP Fit Center 3981 is at 3.218744 1.294773 2.422724 ESP Fit Center 3982 is at 2.805446 1.335479 2.422724 ESP Fit Center 3983 is at 2.392148 1.294773 2.422724 ESP Fit Center 3984 is at 4.368712 0.707553 2.001329 ESP Fit Center 3985 is at 4.058369 0.976467 2.001329 ESP Fit Center 3986 is at 3.702743 1.181788 2.001329 ESP Fit Center 3987 is at 3.314685 1.316096 2.001329 ESP Fit Center 3988 is at 0.308024 3.992921 1.801671 ESP Fit Center 3989 is at -0.083609 4.135463 1.801671 ESP Fit Center 3990 is at -0.500375 4.135463 1.801671 ESP Fit Center 3991 is at -0.892008 3.992921 1.801671 ESP Fit Center 3992 is at 0.750506 4.069906 1.533047 ESP Fit Center 3993 is at 0.410688 4.309775 1.533047 ESP Fit Center 3994 is at 0.018757 4.449068 1.533047 ESP Fit Center 3995 is at -0.396222 4.477453 1.533047 ESP Fit Center 3996 is at -0.803471 4.392826 1.533047 ESP Fit Center 3997 is at -1.172785 4.201462 1.533047 ESP Fit Center 3998 is at -1.476775 3.917555 1.533047 ESP Fit Center 3999 is at 0.780489 4.394256 1.205728 ESP Fit Center 4000 is at 0.419357 4.602755 1.205728 ESP Fit Center 4001 is at 0.019876 4.722352 1.205728 ESP Fit Center 4002 is at -0.396419 4.746599 1.205728 ESP Fit Center 4003 is at -0.807083 4.674187 1.205728 ESP Fit Center 4004 is at -1.189979 4.509022 1.205728 ESP Fit Center 4005 is at -1.524465 4.260007 1.205728 ESP Fit Center 4006 is at 1.043311 4.436668 0.832292 ESP Fit Center 4007 is at 0.705798 4.681886 0.832292 ESP Fit Center 4008 is at 0.324676 4.851572 0.832292 ESP Fit Center 4009 is at -0.083397 4.938311 0.832292 ESP Fit Center 4010 is at -0.500587 4.938311 0.832292 ESP Fit Center 4011 is at -0.908660 4.851572 0.832292 ESP Fit Center 4012 is at -1.289782 4.681886 0.832292 ESP Fit Center 4013 is at -1.627296 4.436668 0.832292 ESP Fit Center 4014 is at 0.884981 4.715128 0.427091 ESP Fit Center 4015 is at 0.518721 4.910898 0.427091 ESP Fit Center 4016 is at 0.121306 5.031453 0.427091 ESP Fit Center 4017 is at -0.291992 5.072159 0.427091 ESP Fit Center 4018 is at -0.705290 5.031453 0.427091 ESP Fit Center 4019 is at -1.102706 4.910898 0.427091 ESP Fit Center 4020 is at -1.468966 4.715128 0.427091 ESP Fit Center 4021 is at -1.789995 4.451666 0.427091 ESP Fit Center 4022 is at 0.960931 4.713147 0.005696 ESP Fit Center 4023 is at 0.605304 4.918468 0.005696 ESP Fit Center 4024 is at 0.217247 5.052776 0.005696 ESP Fit Center 4025 is at -0.189215 5.111216 0.005696 ESP Fit Center 4026 is at -0.599392 5.091677 0.005696 ESP Fit Center 4027 is at -0.998459 4.994865 0.005696 ESP Fit Center 4028 is at -1.371992 4.824278 0.005696 ESP Fit Center 4029 is at -1.706491 4.586082 0.005696 ESP Fit Center 4030 is at 0.884981 4.715128 -0.415699 ESP Fit Center 4031 is at 0.518721 4.910898 -0.415699 ESP Fit Center 4032 is at 0.121306 5.031453 -0.415699 ESP Fit Center 4033 is at -0.291992 5.072159 -0.415699 ESP Fit Center 4034 is at -0.705290 5.031453 -0.415699 ESP Fit Center 4035 is at -1.102706 4.910898 -0.415699 ESP Fit Center 4036 is at -1.468966 4.715128 -0.415699 ESP Fit Center 4037 is at -1.789995 4.451666 -0.415699 ESP Fit Center 4038 is at 0.705798 4.681886 -0.820900 ESP Fit Center 4039 is at 0.324676 4.851572 -0.820900 ESP Fit Center 4040 is at -0.083397 4.938311 -0.820900 ESP Fit Center 4041 is at -0.500587 4.938311 -0.820900 ESP Fit Center 4042 is at -0.908660 4.851572 -0.820900 ESP Fit Center 4043 is at -1.289782 4.681886 -0.820900 ESP Fit Center 4044 is at -1.627296 4.436668 -0.820900 ESP Fit Center 4045 is at -1.906450 4.126635 -0.820900 ESP Fit Center 4046 is at 0.780489 4.394256 -1.194335 ESP Fit Center 4047 is at 0.419357 4.602755 -1.194335 ESP Fit Center 4048 is at 0.019876 4.722352 -1.194335 ESP Fit Center 4049 is at -0.396419 4.746599 -1.194335 ESP Fit Center 4050 is at -0.807083 4.674187 -1.194335 ESP Fit Center 4051 is at -1.189979 4.509022 -1.194335 ESP Fit Center 4052 is at -1.524465 4.260007 -1.194335 ESP Fit Center 4053 is at -1.792507 3.940567 -1.194335 ESP Fit Center 4054 is at 0.750506 4.069906 -1.521654 ESP Fit Center 4055 is at 0.410688 4.309775 -1.521654 ESP Fit Center 4056 is at 0.018757 4.449068 -1.521654 ESP Fit Center 4057 is at -0.396222 4.477453 -1.521654 ESP Fit Center 4058 is at -0.803471 4.392826 -1.521654 ESP Fit Center 4059 is at -1.172785 4.201462 -1.521654 ESP Fit Center 4060 is at -1.476775 3.917555 -1.521654 ESP Fit Center 4061 is at 0.308024 3.992921 -1.790278 ESP Fit Center 4062 is at -0.083609 4.135463 -1.790278 ESP Fit Center 4063 is at -0.500375 4.135463 -1.790278 ESP Fit Center 4064 is at -0.892008 3.992921 -1.790278 ESP Fit Center 4065 is at -1.211270 3.725028 -1.790278 ESP Fit Center 4066 is at -0.291992 3.780259 -1.989884 ESP Fit Center 4067 is at 0.147543 -2.552106 2.147763 ESP Fit Center 4068 is at -0.060840 -2.907310 1.948158 ESP Fit Center 4069 is at 0.043313 -3.249300 1.679534 ESP Fit Center 4070 is at 0.356138 -3.710157 0.978779 ESP Fit Center 4071 is at 0.147543 -3.844006 0.573578 ESP Fit Center 4072 is at 0.560841 -3.803300 0.573578 ESP Fit Center 4073 is at 0.250320 -3.883063 0.152183 ESP Fit Center 4074 is at 0.656782 -3.824623 0.152183 ESP Fit Center 4075 is at 0.147543 -3.844006 -0.269212 ESP Fit Center 4076 is at 0.560841 -3.803300 -0.269212 ESP Fit Center 4077 is at 0.958256 -3.682745 -0.269212 ESP Fit Center 4078 is at 0.356138 -3.710157 -0.674413 ESP Fit Center 4079 is at 0.764211 -3.623419 -0.674413 ESP Fit Center 4080 is at 0.043116 -3.518445 -1.047848 ESP Fit Center 4081 is at 0.459411 -3.494199 -1.047848 ESP Fit Center 4082 is at 0.043313 -3.249300 -1.375167 ESP Fit Center 4083 is at -0.060840 -2.907310 -1.643791 ESP Fit Center 4084 is at -2.310731 -1.071779 3.035640 ESP Fit Center 4085 is at -1.888358 -1.071779 3.002399 ESP Fit Center 4086 is at -2.099545 -0.705993 3.002399 ESP Fit Center 4087 is at -2.521918 -0.705993 3.002399 ESP Fit Center 4088 is at -2.733104 -1.071779 3.002399 ESP Fit Center 4089 is at -2.521918 -1.437565 3.002399 ESP Fit Center 4090 is at -2.099545 -1.437565 3.002399 ESP Fit Center 4091 is at -1.476385 -1.071779 2.903493 ESP Fit Center 4092 is at -1.588166 -0.654606 2.903493 ESP Fit Center 4093 is at -1.893558 -0.349214 2.903493 ESP Fit Center 4094 is at -2.310731 -0.237433 2.903493 ESP Fit Center 4095 is at -2.727904 -0.349214 2.903493 ESP Fit Center 4096 is at -3.033296 -0.654606 2.903493 ESP Fit Center 4097 is at -3.145077 -1.071779 2.903493 ESP Fit Center 4098 is at -3.033296 -1.488952 2.903493 ESP Fit Center 4099 is at -2.727904 -1.794344 2.903493 ESP Fit Center 4100 is at -2.310731 -1.906125 2.903493 ESP Fit Center 4101 is at -1.893558 -1.794344 2.903493 ESP Fit Center 4102 is at -1.588166 -1.488952 2.903493 ESP Fit Center 4103 is at -1.084957 -1.071779 2.741358 ESP Fit Center 4104 is at -2.097878 0.135373 2.741358 ESP Fit Center 4105 is at -2.523585 0.135373 2.741358 ESP Fit Center 4106 is at -2.923618 -0.010227 2.741358 ESP Fit Center 4107 is at -3.249729 -0.283866 2.741358 ESP Fit Center 4108 is at -3.462582 -0.652539 2.741358 ESP Fit Center 4109 is at -3.536506 -1.071779 2.741358 ESP Fit Center 4110 is at -3.462582 -1.491018 2.741358 ESP Fit Center 4111 is at -3.249729 -1.859691 2.741358 ESP Fit Center 4112 is at -2.923618 -2.133331 2.741358 ESP Fit Center 4113 is at -2.523585 -2.278931 2.741358 ESP Fit Center 4114 is at -1.371734 -1.859691 2.741358 ESP Fit Center 4115 is at -1.158880 -1.491018 2.741358 ESP Fit Center 4116 is at -2.721482 0.461165 2.519986 ESP Fit Center 4117 is at -3.104241 0.302621 2.519986 ESP Fit Center 4118 is at -3.432924 0.050414 2.519986 ESP Fit Center 4119 is at -3.685131 -0.278269 2.519986 ESP Fit Center 4120 is at -3.843675 -0.661028 2.519986 ESP Fit Center 4121 is at -3.897751 -1.071779 2.519986 ESP Fit Center 4122 is at -3.843675 -1.482530 2.519986 ESP Fit Center 4123 is at -3.685131 -1.865289 2.519986 ESP Fit Center 4124 is at -3.432924 -2.193972 2.519986 ESP Fit Center 4125 is at -3.104241 -2.446179 2.519986 ESP Fit Center 4126 is at -3.501091 0.420885 2.244829 ESP Fit Center 4127 is at -3.803395 0.118581 2.244829 ESP Fit Center 4128 is at -4.030850 -0.243413 2.244829 ESP Fit Center 4129 is at -4.172052 -0.646944 2.244829 ESP Fit Center 4130 is at -4.219920 -1.071779 2.244829 ESP Fit Center 4131 is at -4.172052 -1.496613 2.244829 ESP Fit Center 4132 is at -4.030850 -1.900145 2.244829 ESP Fit Center 4133 is at -3.803395 -2.262138 2.244829 ESP Fit Center 4134 is at -3.501091 -2.564442 2.244829 ESP Fit Center 4135 is at -4.027743 0.278494 1.922660 ESP Fit Center 4136 is at -4.252255 -0.070854 1.922660 ESP Fit Center 4137 is at -4.406596 -0.456377 1.922660 ESP Fit Center 4138 is at -4.485186 -0.864144 1.922660 ESP Fit Center 4139 is at -4.485186 -1.279414 1.922660 ESP Fit Center 4140 is at -4.406596 -1.687180 1.922660 ESP Fit Center 4141 is at -4.252255 -2.072704 1.922660 ESP Fit Center 4142 is at 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Center 4179 is at 1.223815 -3.747481 2.405749 ESP Fit Center 4180 is at 1.606711 -3.912646 2.405749 ESP Fit Center 4181 is at 2.017376 -3.985058 2.405749 ESP Fit Center 4182 is at 2.433670 -3.960811 2.405749 ESP Fit Center 4183 is at 2.833151 -3.841214 2.405749 ESP Fit Center 4184 is at 0.298749 -3.003797 2.032314 ESP Fit Center 4185 is at 0.507344 -3.365094 2.032314 ESP Fit Center 4186 is at 0.786499 -3.675127 2.032314 ESP Fit Center 4187 is at 1.124012 -3.920345 2.032314 ESP Fit Center 4188 is at 1.505134 -4.090031 2.032314 ESP Fit Center 4189 is at 1.913207 -4.176770 2.032314 ESP Fit Center 4190 is at 2.330397 -4.176770 2.032314 ESP Fit Center 4191 is at 2.738470 -4.090031 2.032314 ESP Fit Center 4192 is at 3.119592 -3.920345 2.032314 ESP Fit Center 4193 is at 0.360337 -3.369095 1.627113 ESP Fit Center 4194 is at 0.623799 -3.690125 1.627113 ESP Fit Center 4195 is at 0.944829 -3.953587 1.627113 ESP Fit Center 4196 is at 1.311089 -4.149357 1.627113 ESP Fit Center 4197 is at 1.708504 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Center 4216 is at 1.913207 -4.176770 0.379122 ESP Fit Center 4217 is at 2.330397 -4.176770 0.379122 ESP Fit Center 4218 is at 2.738470 -4.090031 0.379122 ESP Fit Center 4219 is at 1.223815 -3.747481 0.005686 ESP Fit Center 4220 is at 1.606711 -3.912646 0.005686 ESP Fit Center 4221 is at 2.017376 -3.985058 0.005686 ESP Fit Center 4222 is at 2.433670 -3.960811 0.005686 ESP Fit Center 4223 is at 1.263588 -3.765459 -0.516969 ESP Fit Center 4224 is at 1.671661 -3.852198 -0.516969 ESP Fit Center 4225 is at 2.088851 -3.852198 -0.516969 ESP Fit Center 4226 is at 2.496924 -3.765459 -0.516969 ESP Fit Center 4227 is at 2.878046 -3.595773 -0.516969 ESP Fit Center 4228 is at 0.703283 -3.629015 -0.922170 ESP Fit Center 4229 is at 1.069543 -3.824785 -0.922170 ESP Fit Center 4230 is at 1.466958 -3.945340 -0.922170 ESP Fit Center 4231 is at 1.880256 -3.986046 -0.922170 ESP Fit Center 4232 is at 2.293554 -3.945340 -0.922170 ESP Fit Center 4233 is at 2.690969 -3.824785 -0.922170 ESP Fit Center 4234 is at 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-2.870916 ESP Fit Center 4271 is at 0.367131 -1.659576 -2.870916 ESP Fit Center 4272 is at 0.367131 -2.075524 -2.870916 ESP Fit Center 4273 is at 0.479353 -2.476048 -2.870916 ESP Fit Center 4274 is at 0.695473 -2.831443 -2.870916 ESP Fit Center 4275 is at 0.999463 -3.115350 -2.870916 ESP Fit Center 4276 is at 1.368777 -3.306713 -2.870916 ESP Fit Center 4277 is at 1.776026 -3.391340 -2.870916 ESP Fit Center 4278 is at 2.191005 -3.362955 -2.870916 ESP Fit Center 4279 is at 2.582937 -3.223662 -2.870916 ESP Fit Center 4280 is at 0.752595 -1.457115 -3.139540 ESP Fit Center 4281 is at 0.680224 -1.867550 -3.139540 ESP Fit Center 4282 is at 0.752595 -2.277985 -3.139540 ESP Fit Center 4283 is at 0.960978 -2.638916 -3.139540 ESP Fit Center 4284 is at 1.280240 -2.906808 -3.139540 ESP Fit Center 4285 is at 1.671873 -3.049351 -3.139540 ESP Fit Center 4286 is at 2.088639 -3.049351 -3.139540 ESP Fit Center 4287 is at 1.053660 -1.867550 -3.339145 ESP Fit Center 4288 is at 1.164403 -2.280848 -3.339145 ESP Fit Center 4289 is at 1.466958 -2.583403 -3.339145 ESP Fit Center 4290 is at 1.880256 -2.694146 -3.339145 ESP Fit Center 4291 is at 1.669558 -2.232489 -3.462061 ESP Fit Center 4292 is at -4.851894 -2.323110 0.202275 ESP Fit Center 4293 is at -4.537177 -2.610013 0.202275 ESP Fit Center 4294 is at -5.017808 -2.338648 -0.191374 ESP Fit Center 4295 is at -4.716706 -2.639751 -0.191374 ESP Fit Center 4296 is at -4.367892 -2.883993 -0.191374 ESP Fit Center 4297 is at -5.227160 -2.174706 -0.601898 ESP Fit Center 4298 is at -4.959563 -2.506120 -0.601898 ESP Fit Center 4299 is at -4.639805 -2.787542 -0.601898 ESP Fit Center 4300 is at -4.277086 -3.010877 -0.601898 ESP Fit Center 4301 is at -5.227160 -2.174706 -1.018098 ESP Fit Center 4302 is at -4.959563 -2.506120 -1.018098 ESP Fit Center 4303 is at -4.639805 -2.787542 -1.018098 ESP Fit Center 4304 is at -4.277086 -3.010877 -1.018098 ESP Fit Center 4305 is at -5.442012 -1.603906 -1.428621 ESP Fit Center 4306 is at -5.262051 -1.989834 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1.125673 -2.188307 ESP Fit Center 4325 is at -4.437782 0.899878 -2.188307 ESP Fit Center 4326 is at -4.747168 0.605785 -2.188307 ESP Fit Center 4327 is at -4.991021 0.255433 -2.188307 ESP Fit Center 4328 is at -5.159356 -0.136835 -2.188307 ESP Fit Center 4329 is at -5.245283 -0.554959 -2.188307 ESP Fit Center 4330 is at -5.245283 -0.981820 -2.188307 ESP Fit Center 4331 is at -5.159356 -1.399944 -2.188307 ESP Fit Center 4332 is at -4.991021 -1.792211 -2.188307 ESP Fit Center 4333 is at -4.747168 -2.142563 -2.188307 ESP Fit Center 4334 is at -4.437782 -2.436657 -2.188307 ESP Fit Center 4335 is at -4.075529 -2.662451 -2.188307 ESP Fit Center 4336 is at -3.675239 -2.810702 -2.188307 ESP Fit Center 4337 is at -3.253300 -2.875341 -2.188307 ESP Fit Center 4338 is at -2.826986 -2.853721 -2.188307 ESP Fit Center 4339 is at -2.413751 -2.746727 -2.188307 ESP Fit Center 4340 is at -1.414916 -1.973571 -2.188307 ESP Fit Center 4341 is at -1.207759 -1.600346 -2.188307 ESP Fit Center 4342 is at 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is at -3.354719 0.412777 -3.026272 ESP Fit Center 4397 is at -3.746141 0.270311 -3.026272 ESP Fit Center 4398 is at -4.065231 0.002562 -3.026272 ESP Fit Center 4399 is at -4.273503 -0.358175 -3.026272 ESP Fit Center 4400 is at -4.345835 -0.768389 -3.026272 ESP Fit Center 4401 is at -4.273503 -1.178604 -3.026272 ESP Fit Center 4402 is at -4.065231 -1.539341 -3.026272 ESP Fit Center 4403 is at -3.746141 -1.807089 -3.026272 ESP Fit Center 4404 is at -3.354719 -1.949555 -3.026272 ESP Fit Center 4405 is at -2.938176 -1.949555 -3.026272 ESP Fit Center 4406 is at -2.546753 -1.807089 -3.026272 ESP Fit Center 4407 is at -2.227663 -1.539341 -3.026272 ESP Fit Center 4408 is at -2.019392 -1.178604 -3.026272 ESP Fit Center 4409 is at -2.328205 -0.768389 -3.193457 ESP Fit Center 4410 is at -2.437828 -0.359268 -3.193457 ESP Fit Center 4411 is at -2.737326 -0.059770 -3.193457 ESP Fit Center 4412 is at -3.146447 0.049853 -3.193457 ESP Fit Center 4413 is at -3.555569 -0.059770 -3.193457 ESP Fit Center 4414 is at -3.855066 -0.359268 -3.193457 ESP Fit Center 4415 is at -3.964690 -0.768389 -3.193457 ESP Fit Center 4416 is at -3.855066 -1.177511 -3.193457 ESP Fit Center 4417 is at -3.555569 -1.477008 -3.193457 ESP Fit Center 4418 is at -3.146447 -1.586632 -3.193457 ESP Fit Center 4419 is at -2.737326 -1.477008 -3.193457 ESP Fit Center 4420 is at -2.437828 -1.177511 -3.193457 ESP Fit Center 4421 is at -2.731669 -0.768389 -3.295628 ESP Fit Center 4422 is at -2.939058 -0.409181 -3.295628 ESP Fit Center 4423 is at -3.353836 -0.409181 -3.295628 ESP Fit Center 4424 is at -3.561226 -0.768389 -3.295628 ESP Fit Center 4425 is at -3.353836 -1.127598 -3.295628 ESP Fit Center 4426 is at -2.939058 -1.127598 -3.295628 ESP Fit Center 4427 is at -3.146447 -0.768389 -3.329998 ESP Fit Center 4428 is at -1.912730 -2.347995 2.797891 ESP Fit Center 4429 is at -1.497951 -2.347995 2.763521 ESP Fit Center 4430 is at -2.327508 -2.347995 2.763521 ESP Fit Center 4431 is at -2.120119 -2.707203 2.763521 ESP Fit Center 4432 is at -1.705341 -2.707203 2.763521 ESP Fit Center 4433 is at -1.094487 -2.347995 2.661350 ESP Fit Center 4434 is at -1.204111 -1.938873 2.661350 ESP Fit Center 4435 is at -2.621349 -2.757116 2.661350 ESP Fit Center 4436 is at -2.321851 -3.056614 2.661350 ESP Fit Center 4437 is at -1.912730 -3.166237 2.661350 ESP Fit Center 4438 is at -1.503609 -3.056614 2.661350 ESP Fit Center 4439 is at -1.204111 -2.757116 2.661350 ESP Fit Center 4440 is at -0.713342 -2.347995 2.494165 ESP Fit Center 4441 is at -0.785674 -1.937780 2.494165 ESP Fit Center 4442 is at -3.039785 -2.758209 2.494165 ESP Fit Center 4443 is at -2.831514 -3.118946 2.494165 ESP Fit Center 4444 is at -2.512424 -3.386695 2.494165 ESP Fit Center 4445 is at -2.121001 -3.529161 2.494165 ESP Fit Center 4446 is at -1.704458 -3.529161 2.494165 ESP Fit Center 4447 is at -1.313036 -3.386695 2.494165 ESP Fit Center 4448 is at -0.993946 -3.118946 2.494165 ESP Fit Center 4449 is at -0.785674 -2.758209 2.494165 ESP Fit Center 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-3.562868 1.290163 ESP Fit Center 4487 is at -3.618177 -3.902715 1.290163 ESP Fit Center 4488 is at -3.303459 -4.189618 1.290163 ESP Fit Center 4489 is at -2.941382 -4.413807 1.290163 ESP Fit Center 4490 is at -2.544275 -4.567647 1.290163 ESP Fit Center 4491 is at -2.125662 -4.645899 1.290163 ESP Fit Center 4492 is at -1.699798 -4.645899 1.290163 ESP Fit Center 4493 is at -1.281184 -4.567647 1.290163 ESP Fit Center 4494 is at -0.884078 -4.413807 1.290163 ESP Fit Center 4495 is at -0.522001 -4.189618 1.290163 ESP Fit Center 4496 is at -0.207283 -3.902715 1.290163 ESP Fit Center 4497 is at 0.049358 -3.562868 1.290163 ESP Fit Center 4498 is at -4.208294 -3.183512 0.896514 ESP Fit Center 4499 is at -4.028334 -3.569439 0.896514 ESP Fit Center 4500 is at -3.784091 -3.918253 0.896514 ESP Fit Center 4501 is at -3.482988 -4.219356 0.896514 ESP Fit Center 4502 is at -3.134174 -4.463598 0.896514 ESP Fit Center 4503 is at -2.748247 -4.643559 0.896514 ESP Fit Center 4504 is at -2.336933 -4.753770 0.896514 ESP Fit Center 4505 is at -1.912730 -4.790883 0.896514 ESP Fit Center 4506 is at -1.488527 -4.753770 0.896514 ESP Fit Center 4507 is at -1.077213 -4.643559 0.896514 ESP Fit Center 4508 is at -0.691286 -4.463598 0.896514 ESP Fit Center 4509 is at -0.342471 -4.219356 0.896514 ESP Fit Center 4510 is at -0.041369 -3.918253 0.896514 ESP Fit Center 4511 is at -4.343088 -2.980811 0.485991 ESP Fit Center 4512 is at -4.201183 -3.382441 0.485991 ESP Fit Center 4513 is at -3.993443 -3.754311 0.485991 ESP Fit Center 4514 is at -3.725845 -4.085725 0.485991 ESP Fit Center 4515 is at -3.406087 -4.367147 0.485991 ESP Fit Center 4516 is at -3.043368 -4.590482 0.485991 ESP Fit Center 4517 is at -2.648123 -4.749305 0.485991 ESP Fit Center 4518 is at -2.231722 -4.839046 0.485991 ESP Fit Center 4519 is at -1.806143 -4.857125 0.485991 ESP Fit Center 4520 is at -1.383631 -4.803020 0.485991 ESP Fit Center 4521 is at -0.976341 -4.678289 0.485991 ESP Fit Center 4522 is at -0.595988 -4.486519 0.485991 ESP Fit Center 4523 is at -0.253516 -4.233228 0.485991 ESP Fit Center 4524 is at 0.041224 -3.925702 0.485991 ESP Fit Center 4525 is at -4.343088 -2.980811 0.069791 ESP Fit Center 4526 is at -4.201183 -3.382441 0.069791 ESP Fit Center 4527 is at -3.993443 -3.754311 0.069791 ESP Fit Center 4528 is at -3.725845 -4.085725 0.069791 ESP Fit Center 4529 is at -3.406087 -4.367147 0.069791 ESP Fit Center 4530 is at -3.043368 -4.590482 0.069791 ESP Fit Center 4531 is at -2.648123 -4.749305 0.069791 ESP Fit Center 4532 is at -2.231722 -4.839046 0.069791 ESP Fit Center 4533 is at -1.806143 -4.857125 0.069791 ESP Fit Center 4534 is at -1.383631 -4.803020 0.069791 ESP Fit Center 4535 is at -0.976341 -4.678289 0.069791 ESP Fit Center 4536 is at -0.595988 -4.486519 0.069791 ESP Fit Center 4537 is at -0.253516 -4.233228 0.069791 ESP Fit Center 4538 is at 0.041224 -3.925702 0.069791 ESP Fit Center 4539 is at -4.208294 -3.183512 -0.340733 ESP Fit Center 4540 is at -4.028334 -3.569439 -0.340733 ESP Fit Center 4541 is at -3.784091 -3.918253 -0.340733 ESP Fit Center 4542 is at -3.482988 -4.219356 -0.340733 ESP Fit Center 4543 is at -3.134174 -4.463598 -0.340733 ESP Fit Center 4544 is at -2.748247 -4.643559 -0.340733 ESP Fit Center 4545 is at -2.336933 -4.753770 -0.340733 ESP Fit Center 4546 is at -1.912730 -4.790883 -0.340733 ESP Fit Center 4547 is at -1.488527 -4.753770 -0.340733 ESP Fit Center 4548 is at -1.077213 -4.643559 -0.340733 ESP Fit Center 4549 is at -0.691286 -4.463598 -0.340733 ESP Fit Center 4550 is at -0.342471 -4.219356 -0.340733 ESP Fit Center 4551 is at -0.041369 -3.918253 -0.340733 ESP Fit Center 4552 is at -4.064642 -3.181650 -0.734382 ESP Fit Center 4553 is at -3.874817 -3.562868 -0.734382 ESP Fit Center 4554 is at -3.618177 -3.902715 -0.734382 ESP Fit Center 4555 is at -3.303459 -4.189618 -0.734382 ESP Fit Center 4556 is at -2.941382 -4.413807 -0.734382 ESP Fit Center 4557 is at -2.544275 -4.567647 -0.734382 ESP Fit Center 4558 is at -2.125662 -4.645899 -0.734382 ESP Fit Center 4559 is at -1.699798 -4.645899 -0.734382 ESP Fit Center 4560 is at -1.281184 -4.567647 -0.734382 ESP Fit Center 4561 is at -0.884078 -4.413807 -0.734382 ESP Fit Center 4562 is at -0.522001 -4.189618 -0.734382 ESP Fit Center 4563 is at -0.207283 -3.902715 -0.734382 ESP Fit Center 4564 is at -3.757304 -3.371817 -1.100419 ESP Fit Center 4565 is at -3.513451 -3.722169 -1.100419 ESP Fit Center 4566 is at -3.204065 -4.016262 -1.100419 ESP Fit Center 4567 is at -2.841812 -4.242057 -1.100419 ESP Fit Center 4568 is at -2.441521 -4.390308 -1.100419 ESP Fit Center 4569 is at -2.019582 -4.454946 -1.100419 ESP Fit Center 4570 is at -1.593269 -4.433326 -1.100419 ESP Fit Center 4571 is at -1.180034 -4.326332 -1.100419 ESP Fit Center 4572 is at -0.796796 -4.138345 -1.100419 ESP Fit Center 4573 is at -0.459244 -3.877061 -1.100419 ESP Fit Center 4574 is at -0.181198 -3.553176 -1.100419 ESP Fit Center 4575 is at -3.461745 -3.366798 -1.428859 ESP Fit Center 4576 is at -3.185039 -3.696563 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-2.347995 -1.938383 ESP Fit Center 4595 is at -2.831514 -3.118946 -1.938383 ESP Fit Center 4596 is at -2.512424 -3.386695 -1.938383 ESP Fit Center 4597 is at -2.121001 -3.529161 -1.938383 ESP Fit Center 4598 is at -1.704458 -3.529161 -1.938383 ESP Fit Center 4599 is at -1.313036 -3.386695 -1.938383 ESP Fit Center 4600 is at -0.993946 -3.118946 -1.938383 ESP Fit Center 4601 is at -0.785674 -2.758209 -1.938383 ESP Fit Center 4602 is at -1.094487 -2.347995 -2.105569 ESP Fit Center 4603 is at -1.204111 -1.938873 -2.105569 ESP Fit Center 4604 is at -2.321851 -3.056614 -2.105569 ESP Fit Center 4605 is at -1.912730 -3.166237 -2.105569 ESP Fit Center 4606 is at -1.503609 -3.056614 -2.105569 ESP Fit Center 4607 is at -1.204111 -2.757116 -2.105569 ESP Fit Center 4608 is at -1.497951 -2.347995 -2.207740 ESP Fit Center 4609 is at -2.120119 -2.707203 -2.207740 ESP Fit Center 4610 is at -1.705341 -2.707203 -2.207740 ESP Fit Center 4611 is at -4.334279 0.309521 1.589510 ESP Fit Center 4612 is at 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0.793962 ESP Fit Center 4631 is at -5.704812 -0.197833 0.793962 ESP Fit Center 4632 is at -5.704812 -0.614832 0.793962 ESP Fit Center 4633 is at -5.608645 -1.020592 0.793962 ESP Fit Center 4634 is at -5.421496 -1.393237 0.793962 ESP Fit Center 4635 is at -5.153454 -1.712677 0.793962 ESP Fit Center 4636 is at -4.818969 -1.961692 0.793962 ESP Fit Center 4637 is at -4.918771 1.321890 0.420527 ESP Fit Center 4638 is at -5.256285 1.076672 0.420527 ESP Fit Center 4639 is at -5.535439 0.766640 0.420527 ESP Fit Center 4640 is at -5.744034 0.405343 0.420527 ESP Fit Center 4641 is at -5.872953 0.008572 0.420527 ESP Fit Center 4642 is at -5.916561 -0.406332 0.420527 ESP Fit Center 4643 is at -5.872953 -0.821237 0.420527 ESP Fit Center 4644 is at -5.744034 -1.218008 0.420527 ESP Fit Center 4645 is at -5.535439 -1.579305 0.420527 ESP Fit Center 4646 is at -5.256285 -1.889337 0.420527 ESP Fit Center 4647 is at -4.918771 -2.134555 0.420527 ESP Fit Center 4648 is at -5.097955 1.355133 0.015325 ESP Fit Center 4649 is at -5.418984 1.091671 0.015325 ESP Fit Center 4650 is at -5.682447 0.770641 0.015325 ESP Fit Center 4651 is at -5.878217 0.404381 0.015325 ESP Fit Center 4652 is at -5.998771 0.006966 0.015325 ESP Fit Center 4653 is at -6.039478 -0.406332 0.015325 ESP Fit Center 4654 is at -5.998771 -0.819631 0.015325 ESP Fit Center 4655 is at -5.878217 -1.217046 0.015325 ESP Fit Center 4656 is at -5.682447 -1.583306 0.015325 ESP Fit Center 4657 is at -5.418984 -1.904336 0.015325 ESP Fit Center 4658 is at -5.097955 -2.167798 0.015325 ESP Fit Center 4659 is at -5.000981 1.464282 -0.406070 ESP Fit Center 4660 is at -5.335481 1.226087 -0.406070 ESP Fit Center 4661 is at -5.618856 0.928891 -0.406070 ESP Fit Center 4662 is at -5.840866 0.583437 -0.406070 ESP Fit Center 4663 is at -5.993486 0.202210 -0.406070 ESP Fit Center 4664 is at -6.071201 -0.201011 -0.406070 ESP Fit Center 4665 is at -6.071201 -0.611654 -0.406070 ESP Fit Center 4666 is at -5.993486 -1.014875 -0.406070 ESP Fit Center 4667 is at -5.840866 -1.396102 -0.406070 ESP Fit Center 4668 is at -5.618856 -1.741556 -0.406070 ESP Fit Center 4669 is at -5.335481 -2.038752 -0.406070 ESP Fit Center 4670 is at -4.731695 1.550903 -0.827465 ESP Fit Center 4671 is at -5.097955 1.355133 -0.827465 ESP Fit Center 4672 is at -5.418984 1.091671 -0.827465 ESP Fit Center 4673 is at -5.682447 0.770641 -0.827465 ESP Fit Center 4674 is at -5.878217 0.404381 -0.827465 ESP Fit Center 4675 is at -5.998771 0.006966 -0.827465 ESP Fit Center 4676 is at -6.039478 -0.406332 -0.827465 ESP Fit Center 4677 is at -5.998771 -0.819631 -0.827465 ESP Fit Center 4678 is at -5.878217 -1.217046 -0.827465 ESP Fit Center 4679 is at -5.682447 -1.583306 -0.827465 ESP Fit Center 4680 is at -5.418984 -1.904336 -0.827465 ESP Fit Center 4681 is at -4.537649 1.491577 -1.232666 ESP Fit Center 4682 is at -4.918771 1.321890 -1.232666 ESP Fit Center 4683 is at -5.256285 1.076672 -1.232666 ESP Fit Center 4684 is at -5.535439 0.766640 -1.232666 ESP Fit Center 4685 is at -5.744034 0.405343 -1.232666 ESP Fit Center 4686 is at -5.872953 0.008572 -1.232666 ESP Fit Center 4687 is at -5.916561 -0.406332 -1.232666 ESP Fit Center 4688 is at -5.872953 -0.821237 -1.232666 ESP Fit Center 4689 is at -5.744034 -1.218008 -1.232666 ESP Fit Center 4690 is at -5.535439 -1.579305 -1.232666 ESP Fit Center 4691 is at -4.436073 1.314192 -1.606101 ESP Fit Center 4692 is at -4.818969 1.149027 -1.606101 ESP Fit Center 4693 is at -5.153454 0.900012 -1.606101 ESP Fit Center 4694 is at -5.421496 0.580572 -1.606101 ESP Fit Center 4695 is at -5.608645 0.207927 -1.606101 ESP Fit Center 4696 is at -5.704812 -0.197833 -1.606101 ESP Fit Center 4697 is at -5.704812 -0.614832 -1.606101 ESP Fit Center 4698 is at -5.608645 -1.020592 -1.606101 ESP Fit Center 4699 is at -4.801774 0.841467 -1.933420 ESP Fit Center 4700 is at -5.105764 0.557560 -1.933420 ESP Fit Center 4701 is at -5.321885 0.202166 -1.933420 ESP Fit Center 4702 is at -5.434106 -0.198358 -1.933420 ESP Fit Center 4703 is at -5.434106 -0.614307 -1.933420 ESP Fit Center 4704 is at 5.472159 -0.497212 -0.314807 ESP Fit Center 4705 is at 5.416405 -0.497212 -0.720448 ESP Fit Center 4706 is at 5.387820 -0.905999 -0.720448 ESP Fit Center 4707 is at 5.305935 -0.497212 -1.114718 ESP Fit Center 4708 is at 2.820568 -2.180458 3.979079 ESP Fit Center 4709 is at 1.904989 -2.139330 3.841961 ESP Fit Center 4710 is at 2.222966 -2.406145 3.841961 ESP Fit Center 4711 is at 2.613023 -2.548114 3.841961 ESP Fit Center 4712 is at 3.028112 -2.548114 3.841961 ESP Fit Center 4713 is at 3.418169 -2.406145 3.841961 ESP Fit Center 4714 is at 3.736146 -2.139330 3.841961 ESP Fit Center 4715 is at 1.390863 -1.992077 3.653586 ESP Fit Center 4716 is at 1.611426 -2.354778 3.653586 ESP Fit Center 4717 is at 1.921666 -2.644521 3.653586 ESP Fit Center 4718 is at 2.298573 -2.839819 3.653586 ESP Fit Center 4719 is at 2.714195 -2.926186 3.653586 ESP Fit Center 4720 is at 3.137705 -2.897217 3.653586 ESP Fit Center 4721 is at 3.537695 -2.755061 3.653586 ESP Fit Center 4722 is at 3.884499 -2.510260 3.653586 ESP Fit Center 4723 is at 4.152395 -2.180971 3.653586 ESP Fit Center 4724 is at 4.321517 -1.791614 3.653586 ESP Fit Center 4725 is at 4.713831 -1.371068 3.417461 ESP Fit Center 4726 is at 0.938402 -1.575766 3.417461 ESP Fit Center 4727 is at 1.026410 -1.975590 3.417461 ESP Fit Center 4728 is at 1.198311 -2.347148 3.417461 ESP Fit Center 4729 is at 2.119798 -3.129866 3.417461 ESP Fit Center 4730 is at 2.514272 -3.239391 3.417461 ESP Fit Center 4731 is at 2.923067 -3.261555 3.417461 ESP Fit Center 4732 is at 3.327069 -3.195322 3.417461 ESP Fit Center 4733 is at 3.707388 -3.043790 3.417461 ESP Fit Center 4734 is at 4.046241 -2.814042 3.417461 ESP Fit Center 4735 is at 4.327782 -2.516823 3.417461 ESP Fit Center 4736 is at 4.538847 -2.166029 3.417461 ESP Fit Center 4737 is at 4.669568 -1.778064 3.417461 ESP Fit Center 4738 is at 5.013076 -1.371068 3.137987 ESP Fit Center 4739 is at 4.973454 -0.956133 3.137987 ESP Fit Center 4740 is at 0.637988 -1.162657 3.137987 ESP Fit Center 4741 is at 0.637988 -1.579479 3.137987 ESP Fit Center 4742 is at 2.924891 -3.561093 3.137987 ESP Fit Center 4743 is at 3.337471 -3.501773 3.137987 ESP Fit Center 4744 is at 3.731368 -3.365443 3.137987 ESP Fit Center 4745 is at 4.092347 -3.157032 3.137987 ESP Fit Center 4746 is at 4.407360 -2.884072 3.137987 ESP Fit Center 4747 is at 4.665023 -2.556427 3.137987 ESP Fit Center 4748 is at 4.856022 -2.185941 3.137987 ESP Fit Center 4749 is at 4.973454 -1.786003 3.137987 ESP Fit Center 4750 is at 5.271477 -1.371068 2.820368 ESP Fit Center 4751 is at 5.236223 -0.956862 2.820368 ESP Fit Center 4752 is at 5.131475 -0.554573 2.820368 ESP Fit Center 4753 is at 2.924587 -3.819769 2.820368 ESP Fit Center 4754 is at 3.336923 -3.766968 2.820368 ESP Fit Center 4755 is at 3.734405 -3.645240 2.820368 ESP Fit Center 4756 is at 4.105597 -3.458089 2.820368 ESP Fit Center 4757 is at 4.439822 -3.210898 2.820368 ESP Fit Center 4758 is at 5.353855 -0.547953 2.470522 ESP Fit Center 4759 is at 5.193902 -0.161794 2.470522 ESP Fit Center 4760 is at 4.975510 0.194589 2.470522 ESP Fit Center 4761 is at 3.237255 -4.001930 2.470522 ESP Fit Center 4762 is at 3.643682 -3.904355 2.470522 ESP Fit Center 4763 is at 4.029842 -3.744403 2.470522 ESP Fit Center 4764 is at 5.380073 -0.171221 2.094966 ESP Fit Center 4765 is at 5.178098 0.188659 2.094966 ESP Fit Center 4766 is at 4.925877 0.515297 2.094966 ESP Fit Center 4767 is at 4.628784 0.801730 2.094966 ESP Fit Center 4768 is at 3.129736 -4.180893 2.094966 ESP Fit Center 4769 is at 3.535555 -4.105934 2.094966 ESP Fit Center 4770 is at 3.926136 -3.972687 2.094966 ESP Fit Center 4771 is at 5.503881 -0.176380 1.700695 ESP Fit Center 4772 is at 5.311499 0.185438 1.700695 ESP Fit Center 4773 is at 5.070633 0.516961 1.700695 ESP Fit Center 4774 is at 4.785973 0.811736 1.700695 ESP Fit Center 4775 is at 4.463058 1.064024 1.700695 ESP Fit Center 4776 is at 3.330616 -4.263697 1.700695 ESP Fit Center 4777 is at 3.728228 -4.164561 1.700695 ESP Fit Center 4778 is at 5.554815 -0.153703 1.295055 ESP Fit Center 4779 is at 5.358781 0.214984 1.295055 ESP Fit Center 4780 is at 5.113343 0.552799 1.295055 ESP Fit Center 4781 is at 3.340298 -4.318604 1.295055 ESP Fit Center 4782 is at 3.745457 -4.217586 1.295055 ESP Fit Center 4783 is at 5.358781 0.214984 0.885600 ESP Fit Center 4784 is at 3.340298 -4.318604 0.885600 ESP Fit Center 4785 is at 3.745457 -4.217586 0.885600 ESP Fit Center 4786 is at 3.330616 -4.263697 0.479959 ESP Fit Center 4787 is at 3.728228 -4.164561 0.479959 ESP Fit Center 4788 is at 3.129736 -4.180893 0.085688 ESP Fit Center 4789 is at 3.535555 -4.105934 0.085688 ESP Fit Center 4790 is at 2.820568 -4.034724 -0.289868 ESP Fit Center 4791 is at 3.237255 -4.001930 -0.289868 ESP Fit Center 4792 is at 3.643682 -3.904355 -0.289868 ESP Fit Center 4793 is at 3.088227 -3.895044 -0.682276 ESP Fit Center 4794 is at 3.491215 -3.784301 -0.682276 ESP Fit Center 4795 is at 3.872576 -3.613340 -0.682276 ESP Fit Center 4796 is at 5.360668 -1.215179 -1.096090 ESP Fit Center 4797 is at 5.329482 -0.799027 -1.096090 ESP Fit Center 4798 is at 3.189814 -3.937344 -1.096090 ESP Fit Center 4799 is at 3.588592 -3.814337 -1.096090 ESP Fit Center 4800 is at 3.964583 -3.633269 -1.096090 ESP Fit Center 4801 is at 4.309387 -3.398185 -1.096090 ESP Fit Center 4802 is at 4.615303 -3.114337 -1.096090 ESP Fit Center 4803 is at 4.875497 -2.788064 -1.096090 ESP Fit Center 4804 is at 5.084156 -2.426656 -1.096090 ESP Fit Center 4805 is at 5.236620 -2.038185 -1.096090 ESP Fit Center 4806 is at 5.329482 -1.631330 -1.096090 ESP Fit Center 4807 is at 5.360668 -1.215179 -1.514579 ESP Fit Center 4808 is at 5.329482 -0.799027 -1.514579 ESP Fit Center 4809 is at 5.236620 -0.392172 -1.514579 ESP Fit Center 4810 is at 3.189814 -3.937344 -1.514579 ESP Fit Center 4811 is at 3.588592 -3.814337 -1.514579 ESP Fit Center 4812 is at 3.964583 -3.633269 -1.514579 ESP Fit Center 4813 is at 4.309387 -3.398185 -1.514579 ESP Fit Center 4814 is at 4.615303 -3.114337 -1.514579 ESP Fit Center 4815 is at 4.875497 -2.788064 -1.514579 ESP Fit Center 4816 is at 5.084156 -2.426656 -1.514579 ESP Fit Center 4817 is at 5.236620 -2.038185 -1.514579 ESP Fit Center 4818 is at 5.329482 -1.631330 -1.514579 ESP Fit Center 4819 is at 5.298296 -1.215179 -1.928393 ESP Fit Center 4820 is at 5.266303 -0.798477 -1.928393 ESP Fit Center 4821 is at 5.171077 -0.391542 -1.928393 ESP Fit Center 4822 is at 5.014849 -0.003913 -1.928393 ESP Fit Center 4823 is at 3.088227 -3.895044 -1.928393 ESP Fit Center 4824 is at 3.491215 -3.784301 -1.928393 ESP Fit Center 4825 is at 3.872576 -3.613340 -1.928393 ESP Fit Center 4826 is at 4.223370 -3.386168 -1.928393 ESP Fit Center 4827 is at 4.535376 -3.108109 -1.928393 ESP Fit Center 4828 is at 4.801279 -2.785682 -1.928393 ESP Fit Center 4829 is at 5.014849 -2.426444 -1.928393 ESP Fit Center 4830 is at 5.171077 -2.038815 -1.928393 ESP Fit Center 4831 is at 5.266303 -1.631880 -1.928393 ESP Fit Center 4832 is at 5.174944 -1.215179 -2.328289 ESP Fit Center 4833 is at 5.142854 -0.807440 -2.328289 ESP Fit Center 4834 is at 5.047375 -0.409742 -2.328289 ESP Fit Center 4835 is at 4.890858 -0.031877 -2.328289 ESP Fit Center 4836 is at 4.677157 0.316852 -2.328289 ESP Fit Center 4837 is at 4.411533 0.627857 -2.328289 ESP Fit Center 4838 is at 2.976235 -3.789535 -2.328289 ESP Fit Center 4839 is at 3.373934 -3.694056 -2.328289 ESP Fit Center 4840 is at 3.751799 -3.537539 -2.328289 ESP Fit Center 4841 is at 4.100528 -3.323838 -2.328289 ESP Fit Center 4842 is at 4.411533 -3.058215 -2.328289 ESP Fit Center 4843 is at 4.677157 -2.747209 -2.328289 ESP Fit Center 4844 is at 4.890858 -2.398480 -2.328289 ESP Fit Center 4845 is at 5.047375 -2.020615 -2.328289 ESP Fit Center 4846 is at 5.142854 -1.622917 -2.328289 ESP Fit Center 4847 is at 4.993369 -1.215179 -2.705334 ESP Fit Center 4848 is at 4.958489 -0.805373 -2.705334 ESP Fit Center 4849 is at 4.854854 -0.407357 -2.705334 ESP Fit Center 4850 is at 4.685444 -0.032581 -2.705334 ESP Fit Center 4851 is at 4.455134 0.308174 -2.705334 ESP Fit Center 4852 is at 4.170548 0.605105 -2.705334 ESP Fit Center 4853 is at 3.839875 0.849670 -2.705334 ESP Fit Center 4854 is at 3.472626 1.034833 -2.705334 ESP Fit Center 4855 is at 3.079368 1.155267 -2.705334 ESP Fit Center 4856 is at 2.671412 1.207508 -2.705334 ESP Fit Center 4857 is at 3.079368 -3.585624 -2.705334 ESP Fit Center 4858 is at 3.472626 -3.465190 -2.705334 ESP Fit Center 4859 is at 3.839875 -3.280027 -2.705334 ESP Fit Center 4860 is at 4.170548 -3.035462 -2.705334 ESP Fit Center 4861 is at 4.455134 -2.738531 -2.705334 ESP Fit Center 4862 is at 4.685444 -2.397776 -2.705334 ESP Fit Center 4863 is at 4.854854 -2.023000 -2.705334 ESP Fit Center 4864 is at 4.958489 -1.624984 -2.705334 ESP Fit Center 4865 is at 4.757626 -1.215179 -3.051106 ESP Fit Center 4866 is at 4.718065 -0.800883 -3.051106 ESP Fit Center 4867 is at 4.600814 -0.401562 -3.051106 ESP Fit Center 4868 is at 4.410109 -0.031646 -3.051106 ESP Fit Center 4869 is at 4.152844 0.295493 -3.051106 ESP Fit Center 4870 is at 3.838316 0.568033 -3.051106 ESP Fit Center 4871 is at 3.477894 0.776122 -3.051106 ESP Fit Center 4872 is at 3.084604 0.912242 -3.051106 ESP Fit Center 4873 is at 2.672660 0.971470 -3.051106 ESP Fit Center 4874 is at 2.256952 0.951667 -3.051106 ESP Fit Center 4875 is at 1.852504 0.853549 -3.051106 ESP Fit Center 4876 is at 1.473933 0.680662 -3.051106 ESP Fit Center 4877 is at 1.134923 0.439254 -3.051106 ESP Fit Center 4878 is at 0.847726 0.138051 -3.051106 ESP Fit Center 4879 is at 0.622723 -0.212062 -3.051106 ESP Fit Center 4880 is at 0.468044 -0.598430 -3.051106 ESP Fit Center 4881 is at 0.389282 -1.007089 -3.051106 ESP Fit Center 4882 is at 2.672660 -3.401827 -3.051106 ESP Fit Center 4883 is at 3.084604 -3.342599 -3.051106 ESP Fit Center 4884 is at 3.477894 -3.206480 -3.051106 ESP Fit Center 4885 is at 3.838316 -2.998390 -3.051106 ESP Fit Center 4886 is at 4.152844 -2.725850 -3.051106 ESP Fit Center 4887 is at 4.410109 -2.398711 -3.051106 ESP Fit Center 4888 is at 4.600814 -2.028795 -3.051106 ESP Fit Center 4889 is at 4.718065 -1.629474 -3.051106 ESP Fit Center 4890 is at 4.472981 -1.215179 -3.357880 ESP Fit Center 4891 is at 4.428455 -0.805771 -3.357880 ESP Fit Center 4892 is at 4.296960 -0.415507 -3.357880 ESP Fit Center 4893 is at 4.084644 -0.062634 -3.357880 ESP Fit Center 4894 is at 3.801434 0.236347 -3.357880 ESP Fit Center 4895 is at 3.460574 0.467456 -3.357880 ESP Fit Center 4896 is at 3.078001 0.619887 -3.357880 ESP Fit Center 4897 is at 2.671604 0.686512 -3.357880 ESP Fit Center 4898 is at 2.260386 0.664216 -3.357880 ESP Fit Center 4899 is at 1.863575 0.554042 -3.357880 ESP Fit Center 4900 is at 1.499726 0.361142 -3.357880 ESP Fit Center 4901 is at 1.185851 0.094534 -3.357880 ESP Fit Center 4902 is at 0.936627 -0.233315 -3.357880 ESP Fit Center 4903 is at 0.763707 -0.607074 -3.357880 ESP Fit Center 4904 is at 0.675178 -1.009268 -3.357880 ESP Fit Center 4905 is at 2.671604 -3.116869 -3.357880 ESP Fit Center 4906 is at 3.078001 -3.050244 -3.357880 ESP Fit Center 4907 is at 3.460574 -2.897813 -3.357880 ESP Fit Center 4908 is at 3.801434 -2.666704 -3.357880 ESP Fit Center 4909 is at 4.084644 -2.367723 -3.357880 ESP Fit Center 4910 is at 4.296960 -2.014850 -3.357880 ESP Fit Center 4911 is at 4.428455 -1.624586 -3.357880 ESP Fit Center 4912 is at 4.145794 -1.215179 -3.618803 ESP Fit Center 4913 is at 4.092049 -0.806944 -3.618803 ESP Fit Center 4914 is at 3.934476 -0.426530 -3.618803 ESP Fit Center 4915 is at 3.683814 -0.099862 -3.618803 ESP Fit Center 4916 is at 3.357146 0.150800 -3.618803 ESP Fit Center 4917 is at 2.976732 0.308373 -3.618803 ESP Fit Center 4918 is at 2.568497 0.362118 -3.618803 ESP Fit Center 4919 is at 2.160263 0.308373 -3.618803 ESP Fit Center 4920 is at 1.779849 0.150800 -3.618803 ESP Fit Center 4921 is at 1.453181 -0.099862 -3.618803 ESP Fit Center 4922 is at 1.202519 -0.426530 -3.618803 ESP Fit Center 4923 is at 1.044946 -0.806944 -3.618803 ESP Fit Center 4924 is at 0.991201 -1.215179 -3.618803 ESP Fit Center 4925 is at 1.044946 -1.623413 -3.618803 ESP Fit Center 4926 is at 2.160263 -2.738730 -3.618803 ESP Fit Center 4927 is at 2.568497 -2.792475 -3.618803 ESP Fit Center 4928 is at 2.976732 -2.738730 -3.618803 ESP Fit Center 4929 is at 3.357146 -2.581157 -3.618803 ESP Fit Center 4930 is at 3.683814 -2.330495 -3.618803 ESP Fit Center 4931 is at 3.934476 -2.003827 -3.618803 ESP Fit Center 4932 is at 4.092049 -1.623413 -3.618803 ESP Fit Center 4933 is at 3.783372 -1.215179 -3.828047 ESP Fit Center 4934 is at 3.710106 -0.799667 -3.828047 ESP Fit Center 4935 is at 3.499145 -0.434272 -3.828047 ESP Fit Center 4936 is at 3.175935 -0.163066 -3.828047 ESP Fit Center 4937 is at 2.779458 -0.018761 -3.828047 ESP Fit Center 4938 is at 2.357537 -0.018761 -3.828047 ESP Fit Center 4939 is at 1.961060 -0.163066 -3.828047 ESP Fit Center 4940 is at 1.637850 -0.434272 -3.828047 ESP Fit Center 4941 is at 1.426889 -0.799667 -3.828047 ESP Fit Center 4942 is at 1.353623 -1.215179 -3.828047 ESP Fit Center 4943 is at 1.426889 -1.630690 -3.828047 ESP Fit Center 4944 is at 1.637850 -1.996085 -3.828047 ESP Fit Center 4945 is at 1.961060 -2.267291 -3.828047 ESP Fit Center 4946 is at 2.357537 -2.411596 -3.828047 ESP Fit Center 4947 is at 2.779458 -2.411596 -3.828047 ESP Fit Center 4948 is at 3.175935 -2.267291 -3.828047 ESP Fit Center 4949 is at 3.499145 -1.996085 -3.828047 ESP Fit Center 4950 is at 3.710106 -1.630690 -3.828047 ESP Fit Center 4951 is at 3.393812 -1.215179 -3.980938 ESP Fit Center 4952 is at 3.283241 -0.802521 -3.980938 ESP Fit Center 4953 is at 2.981155 -0.500435 -3.980938 ESP Fit Center 4954 is at 2.568497 -0.389864 -3.980938 ESP Fit Center 4955 is at 2.155840 -0.500435 -3.980938 ESP Fit Center 4956 is at 1.853754 -0.802521 -3.980938 ESP Fit Center 4957 is at 1.743183 -1.215179 -3.980938 ESP Fit Center 4958 is at 1.853754 -1.627836 -3.980938 ESP Fit Center 4959 is at 2.155840 -1.929922 -3.980938 ESP Fit Center 4960 is at 2.568497 -2.040493 -3.980938 ESP Fit Center 4961 is at 2.981155 -1.929922 -3.980938 ESP Fit Center 4962 is at 3.283241 -1.627836 -3.980938 ESP Fit Center 4963 is at 2.985816 -1.215179 -4.074061 ESP Fit Center 4964 is at 2.777157 -0.853770 -4.074061 ESP Fit Center 4965 is at 2.359838 -0.853770 -4.074061 ESP Fit Center 4966 is at 2.151179 -1.215179 -4.074061 ESP Fit Center 4967 is at 2.359838 -1.576587 -4.074061 ESP Fit Center 4968 is at 2.777157 -1.576587 -4.074061 ESP Fit Center 4969 is at 2.568497 -1.215179 -4.105334 ESP Fit Center 4970 is at -2.422309 1.866786 3.098429 ESP Fit Center 4971 is at -2.004991 1.866786 3.067155 ESP Fit Center 4972 is at -2.213650 2.228194 3.067155 ESP Fit Center 4973 is at -2.630968 2.228194 3.067155 ESP Fit Center 4974 is at -2.839628 1.866786 3.067155 ESP Fit Center 4975 is at -2.630968 1.505377 3.067155 ESP Fit Center 4976 is at -2.213650 1.505377 3.067155 ESP Fit Center 4977 is at -2.009652 2.581529 2.974032 ESP Fit Center 4978 is at -2.422309 2.692100 2.974032 ESP Fit Center 4979 is at -2.834966 2.581529 2.974032 ESP Fit Center 4980 is at -3.137053 2.279443 2.974032 ESP Fit Center 4981 is at -3.247624 1.866786 2.974032 ESP Fit Center 4982 is at -3.137053 1.454128 2.974032 ESP Fit Center 4983 is at -2.834966 1.152042 2.974032 ESP Fit Center 4984 is at -1.814872 2.918898 2.821141 ESP Fit Center 4985 is at -2.211348 3.063203 2.821141 ESP Fit Center 4986 is at -2.633270 3.063203 2.821141 ESP Fit Center 4987 is at -3.029746 2.918898 2.821141 ESP Fit Center 4988 is at -3.352957 2.647692 2.821141 ESP Fit Center 4989 is at -3.563918 2.282297 2.821141 ESP Fit Center 4990 is at -3.637184 1.866786 2.821141 ESP Fit Center 4991 is at -3.563918 1.451274 2.821141 ESP Fit Center 4992 is at -3.352957 1.085879 2.821141 ESP Fit Center 4993 is at -3.029746 0.814673 2.821141 ESP Fit Center 4994 is at -1.633661 3.232764 2.611897 ESP Fit Center 4995 is at -2.014075 3.390337 2.611897 ESP Fit Center 4996 is at -2.422309 3.444082 2.611897 ESP Fit Center 4997 is at -2.830544 3.390337 2.611897 ESP Fit Center 4998 is at -3.210957 3.232764 2.611897 ESP Fit Center 4999 is at -3.537626 2.982102 2.611897 ESP Fit Center 5000 is at -3.788288 2.655434 2.611897 ESP Fit Center 5001 is at -3.945860 2.275020 2.611897 ESP Fit Center 5002 is at -3.999605 1.866786 2.611897 ESP Fit Center 5003 is at -3.945860 1.458551 2.611897 ESP Fit Center 5004 is at -3.788288 1.078138 2.611897 ESP Fit Center 5005 is at -3.537626 0.751469 2.611897 ESP Fit Center 5006 is at -1.530233 3.549420 2.350974 ESP Fit Center 5007 is at -1.912806 3.701851 2.350974 ESP Fit Center 5008 is at -2.319203 3.768476 2.350974 ESP Fit Center 5009 is at -2.730420 3.746181 2.350974 ESP Fit Center 5010 is at -3.127231 3.636007 2.350974 ESP Fit Center 5011 is at -3.491081 3.443106 2.350974 ESP Fit Center 5012 is at -3.804956 3.176498 2.350974 ESP Fit Center 5013 is at -4.054180 2.848650 2.350974 ESP Fit Center 5014 is at -4.227099 2.474890 2.350974 ESP Fit Center 5015 is at -4.315629 2.072697 2.350974 ESP Fit Center 5016 is at -4.315629 1.660875 2.350974 ESP Fit Center 5017 is at -4.227099 1.258681 2.350974 ESP Fit Center 5018 is at -4.054180 0.884922 2.350974 ESP Fit Center 5019 is at -1.512913 3.858087 2.044200 ESP Fit Center 5020 is at -1.906203 3.994206 2.044200 ESP Fit Center 5021 is at -2.318146 4.053434 2.044200 ESP Fit Center 5022 is at -2.733855 4.033632 2.044200 ESP Fit Center 5023 is at -3.138303 3.935514 2.044200 ESP Fit Center 5024 is at -3.516873 3.762626 2.044200 ESP Fit Center 5025 is at -3.855883 3.521218 2.044200 ESP Fit Center 5026 is at -4.143080 3.220015 2.044200 ESP Fit Center 5027 is at -4.368084 2.869902 2.044200 ESP Fit Center 5028 is at -4.522762 2.483534 2.044200 ESP Fit Center 5029 is at -4.601525 2.074875 2.044200 ESP Fit Center 5030 is at -4.601525 1.658696 2.044200 ESP Fit Center 5031 is at -4.522762 1.250037 2.044200 ESP Fit Center 5032 is at -4.368084 0.863669 2.044200 ESP Fit Center 5033 is at -1.911439 4.237231 1.698429 ESP Fit Center 5034 is at -2.319395 4.289472 1.698429 ESP Fit Center 5035 is at -2.730311 4.272016 1.698429 ESP Fit Center 5036 is at -3.132367 4.185367 1.698429 ESP Fit Center 5037 is at -3.513995 4.032016 1.698429 ESP Fit Center 5038 is at -3.864218 3.816375 1.698429 ESP Fit Center 5039 is at -4.172960 3.544648 1.698429 ESP Fit Center 5040 is at -4.431338 3.224652 1.698429 ESP Fit Center 5041 is at -4.631921 2.865593 1.698429 ESP Fit Center 5042 is at -4.768937 2.477800 1.698429 ESP Fit Center 5043 is at -4.838445 2.072429 1.698429 ESP Fit Center 5044 is at -4.838445 1.661142 1.698429 ESP Fit Center 5045 is at -4.768937 1.255771 1.698429 ESP Fit Center 5046 is at -4.631921 0.867978 1.698429 ESP Fit Center 5047 is at -2.014571 4.441142 1.321383 ESP Fit Center 5048 is at -2.422309 4.473232 1.321383 ESP Fit Center 5049 is at -2.830047 4.441142 1.321383 ESP Fit Center 5050 is at -3.227745 4.345664 1.321383 ESP Fit Center 5051 is at -3.605611 4.189146 1.321383 ESP Fit Center 5052 is at -3.954340 3.975445 1.321383 ESP Fit Center 5053 is at -4.265345 3.709822 1.321383 ESP Fit Center 5054 is at -4.530969 3.398816 1.321383 ESP Fit Center 5055 is at -4.744670 3.050088 1.321383 ESP Fit Center 5056 is at -4.901187 2.672222 1.321383 ESP Fit Center 5057 is at -4.996666 2.274524 1.321383 ESP Fit Center 5058 is at -5.028756 1.866786 1.321383 ESP Fit Center 5059 is at -4.996666 1.459048 1.321383 ESP Fit Center 5060 is at -4.901187 1.061349 1.321383 ESP Fit Center 5061 is at -1.902580 4.546651 0.921487 ESP Fit Center 5062 is at -2.317750 4.594581 0.921487 ESP Fit Center 5063 is at -2.735372 4.578573 0.921487 ESP Fit Center 5064 is at -3.145655 4.499003 0.921487 ESP Fit Center 5065 is at -3.538984 4.357736 0.921487 ESP Fit Center 5066 is at -3.906139 4.158084 0.921487 ESP Fit Center 5067 is at -4.238514 3.904725 0.921487 ESP Fit Center 5068 is at -4.528319 3.603599 0.921487 ESP Fit Center 5069 is at -4.768761 3.261763 0.921487 ESP Fit Center 5070 is at -4.954204 2.887231 0.921487 ESP Fit Center 5071 is at -5.080301 2.488780 0.921487 ESP Fit Center 5072 is at -5.144098 2.075750 0.921487 ESP Fit Center 5073 is at -5.144098 1.657822 0.921487 ESP Fit Center 5074 is at -5.080301 1.244792 0.921487 ESP Fit Center 5075 is at -2.213650 4.651149 0.507673 ESP Fit Center 5076 is at -2.630968 4.651149 0.507673 ESP Fit Center 5077 is at -3.043626 4.588951 0.507673 ESP Fit Center 5078 is at -3.442404 4.465944 0.507673 ESP Fit Center 5079 is at -3.818395 4.284876 0.507673 ESP Fit Center 5080 is at -4.163199 4.049793 0.507673 ESP Fit Center 5081 is at -4.469115 3.765944 0.507673 ESP Fit Center 5082 is at -4.729309 3.439671 0.507673 ESP Fit Center 5083 is at -4.937968 3.078263 0.507673 ESP Fit Center 5084 is at -5.090432 2.689792 0.507673 ESP Fit Center 5085 is at -5.183294 2.282937 0.507673 ESP Fit Center 5086 is at -5.214480 1.866786 0.507673 ESP Fit Center 5087 is at -5.183294 1.450634 0.507673 ESP Fit Center 5088 is at -2.213650 4.651149 0.089184 ESP Fit Center 5089 is at -2.630968 4.651149 0.089184 ESP Fit Center 5090 is at -3.043626 4.588951 0.089184 ESP Fit Center 5091 is at -3.442404 4.465944 0.089184 ESP Fit Center 5092 is at -3.818395 4.284876 0.089184 ESP Fit Center 5093 is at -4.163199 4.049793 0.089184 ESP Fit Center 5094 is at -4.469115 3.765944 0.089184 ESP Fit Center 5095 is at -4.729309 3.439671 0.089184 ESP Fit Center 5096 is at -4.937968 3.078263 0.089184 ESP Fit Center 5097 is at -5.090432 2.689792 0.089184 ESP Fit Center 5098 is at -5.183294 2.282937 0.089184 ESP Fit Center 5099 is at -5.214480 1.866786 0.089184 ESP Fit Center 5100 is at -2.317750 4.594581 -0.324630 ESP Fit Center 5101 is at -2.735372 4.578573 -0.324630 ESP Fit Center 5102 is at -3.145655 4.499003 -0.324630 ESP Fit Center 5103 is at -3.538984 4.357736 -0.324630 ESP Fit Center 5104 is at -3.906139 4.158084 -0.324630 ESP Fit Center 5105 is at -4.238514 3.904725 -0.324630 ESP Fit Center 5106 is at -4.528319 3.603599 -0.324630 ESP Fit Center 5107 is at -4.768761 3.261763 -0.324630 ESP Fit Center 5108 is at -4.954204 2.887231 -0.324630 ESP Fit Center 5109 is at -5.080301 2.488780 -0.324630 ESP Fit Center 5110 is at -5.144098 2.075750 -0.324630 ESP Fit Center 5111 is at -5.144098 1.657822 -0.324630 ESP Fit Center 5112 is at -2.422309 4.473232 -0.724526 ESP Fit Center 5113 is at -2.830047 4.441142 -0.724526 ESP Fit Center 5114 is at -3.227745 4.345664 -0.724526 ESP Fit Center 5115 is at -3.605611 4.189146 -0.724526 ESP Fit Center 5116 is at -3.954340 3.975445 -0.724526 ESP Fit Center 5117 is at -4.265345 3.709822 -0.724526 ESP Fit Center 5118 is at -4.530969 3.398816 -0.724526 ESP Fit Center 5119 is at -4.744670 3.050088 -0.724526 ESP Fit Center 5120 is at -4.901187 2.672222 -0.724526 ESP Fit Center 5121 is at -4.996666 2.274524 -0.724526 ESP Fit Center 5122 is at -5.028756 1.866786 -0.724526 ESP Fit Center 5123 is at -2.319395 4.289472 -1.101571 ESP Fit Center 5124 is at -2.730311 4.272016 -1.101571 ESP Fit Center 5125 is at -3.132367 4.185367 -1.101571 ESP Fit Center 5126 is at -3.513995 4.032016 -1.101571 ESP Fit Center 5127 is at -3.864218 3.816375 -1.101571 ESP Fit Center 5128 is at -4.172960 3.544648 -1.101571 ESP Fit Center 5129 is at -4.431338 3.224652 -1.101571 ESP Fit Center 5130 is at -4.631921 2.865593 -1.101571 ESP Fit Center 5131 is at -4.768937 2.477800 -1.101571 ESP Fit Center 5132 is at -4.838445 2.072429 -1.101571 ESP Fit Center 5133 is at -1.906203 3.994206 -1.447343 ESP Fit Center 5134 is at -2.318146 4.053434 -1.447343 ESP Fit Center 5135 is at -2.733855 4.033632 -1.447343 ESP Fit Center 5136 is at -3.138303 3.935514 -1.447343 ESP Fit Center 5137 is at -3.516873 3.762626 -1.447343 ESP Fit Center 5138 is at -3.855883 3.521218 -1.447343 ESP Fit Center 5139 is at -4.143080 3.220015 -1.447343 ESP Fit Center 5140 is at -4.368084 2.869902 -1.447343 ESP Fit Center 5141 is at -4.522762 2.483534 -1.447343 ESP Fit Center 5142 is at -4.601525 2.074875 -1.447343 ESP Fit Center 5143 is at -4.601525 1.658696 -1.447343 ESP Fit Center 5144 is at -1.912806 3.701851 -1.754117 ESP Fit Center 5145 is at -2.319203 3.768476 -1.754117 ESP Fit Center 5146 is at -2.730420 3.746181 -1.754117 ESP Fit Center 5147 is at -3.127231 3.636007 -1.754117 ESP Fit Center 5148 is at -3.491081 3.443106 -1.754117 ESP Fit Center 5149 is at -3.804956 3.176498 -1.754117 ESP Fit Center 5150 is at -4.054180 2.848650 -1.754117 ESP Fit Center 5151 is at -4.227099 2.474890 -1.754117 ESP Fit Center 5152 is at -4.315629 2.072697 -1.754117 ESP Fit Center 5153 is at -4.315629 1.660875 -1.754117 ESP Fit Center 5154 is at -2.014075 3.390337 -2.015040 ESP Fit Center 5155 is at -2.422309 3.444082 -2.015040 ESP Fit Center 5156 is at -2.830544 3.390337 -2.015040 ESP Fit Center 5157 is at -3.210957 3.232764 -2.015040 ESP Fit Center 5158 is at -3.537626 2.982102 -2.015040 ESP Fit Center 5159 is at -3.788288 2.655434 -2.015040 ESP Fit Center 5160 is at -3.945860 2.275020 -2.015040 ESP Fit Center 5161 is at -3.999605 1.866786 -2.015040 ESP Fit Center 5162 is at -2.211348 3.063203 -2.224284 ESP Fit Center 5163 is at -2.633270 3.063203 -2.224284 ESP Fit Center 5164 is at -3.029746 2.918898 -2.224284 ESP Fit Center 5165 is at -3.352957 2.647692 -2.224284 ESP Fit Center 5166 is at -3.563918 2.282297 -2.224284 ESP Fit Center 5167 is at -3.637184 1.866786 -2.224284 ESP Fit Center 5168 is at -2.422309 2.692100 -2.377175 ESP Fit Center 5169 is at -2.834966 2.581529 -2.377175 ESP Fit Center 5170 is at -3.137053 2.279443 -2.377175 ESP Fit Center 5171 is at -3.247624 1.866786 -2.377175 ESP Fit Center 5172 is at -2.630968 2.228194 -2.470298 ESP Fit Center 5173 is at -2.839628 1.866786 -2.470298 ESP Fit Center 5174 is at -1.401682 1.253087 3.173459 ESP Fit Center 5175 is at -0.993182 1.253087 3.145517 ESP Fit Center 5176 is at -1.197432 1.606858 3.145517 ESP Fit Center 5177 is at -1.605932 1.606858 3.145517 ESP Fit Center 5178 is at -1.810182 1.253087 3.145517 ESP Fit Center 5179 is at -1.605932 0.899315 3.145517 ESP Fit Center 5180 is at -1.197432 0.899315 3.145517 ESP Fit Center 5181 is at -0.592292 1.253087 3.062211 ESP Fit Center 5182 is at -0.700730 1.657782 3.062211 ESP Fit Center 5183 is at -0.996987 1.954039 3.062211 ESP Fit Center 5184 is at -1.401682 2.062477 3.062211 ESP Fit Center 5185 is at -1.806377 1.954039 3.062211 ESP Fit Center 5186 is at -2.211072 1.253087 3.062211 ESP Fit Center 5187 is at -2.102635 0.848391 3.062211 ESP Fit Center 5188 is at -1.806377 0.552134 3.062211 ESP Fit Center 5189 is at -0.700730 0.848391 3.062211 ESP Fit Center 5190 is at -1.194137 2.430132 2.925093 ESP Fit Center 5191 is at -1.609227 2.430132 2.925093 ESP Fit Center 5192 is at -2.524806 0.844303 2.925093 ESP Fit Center 5193 is at -2.317261 0.484825 2.925093 ESP Fit Center 5194 is at -0.278558 0.844303 2.925093 ESP Fit Center 5195 is at -1.923676 2.721837 -2.389799 ESP Fit Center 5196 is at -1.999284 2.288163 -2.578175 ESP Fit Center 5197 is at -2.317261 2.021348 -2.578175 ESP Fit Center 5198 is at -2.524806 1.661870 -2.578175 ESP Fit Center 5199 is at -1.806377 1.954039 -2.715293 ESP Fit Center 5200 is at -2.102635 1.657782 -2.715293 ESP Fit Center 5201 is at -2.211072 1.253087 -2.715293 ESP Fit Center 5202 is at -0.993182 1.253087 -2.798599 ESP Fit Center 5203 is at -1.197432 1.606858 -2.798599 ESP Fit Center 5204 is at -1.605932 1.606858 -2.798599 ESP Fit Center 5205 is at -1.810182 1.253087 -2.798599 ESP Fit Center 5206 is at -1.605932 0.899315 -2.798599 ESP Fit Center 5207 is at -1.197432 0.899315 -2.798599 ESP Fit Center 5208 is at -1.401682 1.253087 -2.826541 ESP Fit Center 5209 is at -0.207001 1.960864 3.024759 ESP Fit Center 5210 is at 0.201499 1.960864 2.996816 ESP Fit Center 5211 is at -0.002751 2.314635 2.996816 ESP Fit Center 5212 is at -0.411251 2.314635 2.996816 ESP Fit Center 5213 is at -0.615501 1.960864 2.996816 ESP Fit Center 5214 is at -0.411251 1.607093 2.996816 ESP Fit Center 5215 is at -0.002751 1.607093 2.996816 ESP Fit Center 5216 is at 0.602389 1.960864 2.913511 ESP Fit Center 5217 is at 0.493952 2.365559 2.913511 ESP Fit Center 5218 is at 0.197694 2.661816 2.913511 ESP Fit Center 5219 is at -0.207001 2.770254 2.913511 ESP Fit Center 5220 is at -0.611696 2.661816 2.913511 ESP Fit Center 5221 is at 0.197694 1.259911 2.913511 ESP Fit Center 5222 is at 0.493952 1.556169 2.913511 ESP Fit Center 5223 is at 0.708578 2.729126 2.776393 ESP Fit Center 5224 is at 0.390601 2.995940 2.776393 ESP Fit Center 5225 is at 0.000544 3.137909 2.776393 ESP Fit Center 5226 is at -0.414546 3.137909 2.776393 ESP Fit Center 5227 is at -0.804603 2.995940 2.776393 ESP Fit Center 5228 is at -1.122580 2.729126 2.776393 ESP Fit Center 5229 is at 0.856930 3.100056 2.588017 ESP Fit Center 5230 is at 0.510126 3.344857 2.588017 ESP Fit Center 5231 is at 0.110136 3.487013 2.588017 ESP Fit Center 5232 is at -0.313374 3.515982 2.588017 ESP Fit Center 5233 is at -0.728995 3.429615 2.588017 ESP Fit Center 5234 is at -1.105903 3.234317 2.588017 ESP Fit Center 5235 is at 1.018672 3.403838 2.351893 ESP Fit Center 5236 is at 0.679820 3.633585 2.351893 ESP Fit Center 5237 is at 0.299501 3.785118 2.351893 ESP Fit Center 5238 is at -0.104502 3.851351 2.351893 ESP Fit Center 5239 is at -0.513297 3.829187 2.351893 ESP Fit Center 5240 is at -0.907770 3.719662 2.351893 ESP Fit Center 5241 is at -1.269476 3.527898 2.351893 ESP Fit Center 5242 is at 1.064778 3.746828 2.072418 ESP Fit Center 5243 is at 0.703800 3.955239 2.072418 ESP Fit Center 5244 is at 0.309902 4.091568 2.072418 ESP Fit Center 5245 is at -0.924100 4.032786 2.072418 ESP Fit Center 5246 is at -1.303255 3.859631 2.072418 ESP Fit Center 5247 is at -1.664393 3.931388 -1.705282 ESP Fit Center 5248 is at 0.703800 3.955239 -2.022901 ESP Fit Center 5249 is at 0.309902 4.091568 -2.022901 ESP Fit Center 5250 is at -1.303255 3.859631 -2.022901 ESP Fit Center 5251 is at -1.642788 3.617851 -2.022901 ESP Fit Center 5252 is at 0.679820 3.633585 -2.302375 ESP Fit Center 5253 is at 0.299501 3.785118 -2.302375 ESP Fit Center 5254 is at -0.104502 3.851351 -2.302375 ESP Fit Center 5255 is at -0.513297 3.829187 -2.302375 ESP Fit Center 5256 is at -0.907770 3.719662 -2.302375 ESP Fit Center 5257 is at -1.269476 3.527898 -2.302375 ESP Fit Center 5258 is at -1.581502 3.262860 -2.302375 ESP Fit Center 5259 is at -1.829258 2.936943 -2.302375 ESP Fit Center 5260 is at 0.510126 3.344857 -2.538500 ESP Fit Center 5261 is at 0.110136 3.487013 -2.538500 ESP Fit Center 5262 is at -0.313374 3.515982 -2.538500 ESP Fit Center 5263 is at -0.728995 3.429615 -2.538500 ESP Fit Center 5264 is at -1.105903 3.234317 -2.538500 ESP Fit Center 5265 is at -1.416142 2.944573 -2.538500 ESP Fit Center 5266 is at -1.636706 2.581872 -2.538500 ESP Fit Center 5267 is at 0.390601 2.995940 -2.726875 ESP Fit Center 5268 is at 0.000544 3.137909 -2.726875 ESP Fit Center 5269 is at -0.414546 3.137909 -2.726875 ESP Fit Center 5270 is at -0.804603 2.995940 -2.726875 ESP Fit Center 5271 is at -1.122580 2.729126 -2.726875 ESP Fit Center 5272 is at -1.330125 2.369648 -2.726875 ESP Fit Center 5273 is at -0.414546 0.783818 -2.726875 ESP Fit Center 5274 is at 0.493952 2.365559 -2.863993 ESP Fit Center 5275 is at 0.197694 2.661816 -2.863993 ESP Fit Center 5276 is at -0.207001 2.770254 -2.863993 ESP Fit Center 5277 is at -0.611696 2.661816 -2.863993 ESP Fit Center 5278 is at -0.907954 2.365559 -2.863993 ESP Fit Center 5279 is at -1.016391 1.960864 -2.863993 ESP Fit Center 5280 is at -0.907954 1.556169 -2.863993 ESP Fit Center 5281 is at -0.611696 1.259911 -2.863993 ESP Fit Center 5282 is at -0.207001 1.151474 -2.863993 ESP Fit Center 5283 is at 0.201499 1.960864 -2.947299 ESP Fit Center 5284 is at -0.002751 2.314635 -2.947299 ESP Fit Center 5285 is at -0.411251 2.314635 -2.947299 ESP Fit Center 5286 is at -0.615501 1.960864 -2.947299 ESP Fit Center 5287 is at -0.411251 1.607093 -2.947299 ESP Fit Center 5288 is at -0.002751 1.607093 -2.947299 ESP Fit Center 5289 is at -0.207001 1.960864 -2.975241 ESP Fit Center 5290 is at 1.076864 1.490564 2.951173 ESP Fit Center 5291 is at 1.485364 1.490564 2.923231 ESP Fit Center 5292 is at 1.281114 1.844336 2.923231 ESP Fit Center 5293 is at 0.872614 1.844336 2.923231 ESP Fit Center 5294 is at 0.668364 1.490564 2.923231 ESP Fit Center 5295 is at 0.872614 1.136793 2.923231 ESP Fit Center 5296 is at 1.281114 1.136793 2.923231 ESP Fit Center 5297 is at 1.886254 1.490564 2.839925 ESP Fit Center 5298 is at 1.777817 1.895259 2.839925 ESP Fit Center 5299 is at 1.481559 2.191517 2.839925 ESP Fit Center 5300 is at 1.076864 2.299955 2.839925 ESP Fit Center 5301 is at 0.375911 1.085869 2.839925 ESP Fit Center 5302 is at 2.272067 1.490564 2.702807 ESP Fit Center 5303 is at 2.199988 1.899348 2.702807 ESP Fit Center 5304 is at 1.992443 2.258826 2.702807 ESP Fit Center 5305 is at 1.674466 2.525641 2.702807 ESP Fit Center 5306 is at 1.284409 2.667610 2.702807 ESP Fit Center 5307 is at 1.394001 3.016713 2.514431 ESP Fit Center 5308 is at 1.179363 3.381052 2.278307 ESP Fit Center 5309 is at 0.869319 2.667610 -2.800461 ESP Fit Center 5310 is at 0.161285 0.722302 -2.800461 ESP Fit Center 5311 is at 1.886254 1.490564 -2.937579 ESP Fit Center 5312 is at 1.777817 1.895259 -2.937579 ESP Fit Center 5313 is at 1.481559 2.191517 -2.937579 ESP Fit Center 5314 is at 1.076864 2.299955 -2.937579 ESP Fit Center 5315 is at 0.672169 2.191517 -2.937579 ESP Fit Center 5316 is at 0.375911 1.895259 -2.937579 ESP Fit Center 5317 is at 0.267474 1.490564 -2.937579 ESP Fit Center 5318 is at 0.375911 1.085869 -2.937579 ESP Fit Center 5319 is at 0.672169 0.789612 -2.937579 ESP Fit Center 5320 is at 1.076864 0.681174 -2.937579 ESP Fit Center 5321 is at 1.481559 0.789612 -2.937579 ESP Fit Center 5322 is at 1.777817 1.085869 -2.937579 ESP Fit Center 5323 is at 1.485364 1.490564 -3.020885 ESP Fit Center 5324 is at 1.281114 1.844336 -3.020885 ESP Fit Center 5325 is at 0.872614 1.844336 -3.020885 ESP Fit Center 5326 is at 0.668364 1.490564 -3.020885 ESP Fit Center 5327 is at 0.872614 1.136793 -3.020885 ESP Fit Center 5328 is at 1.281114 1.136793 -3.020885 ESP Fit Center 5329 is at 1.076864 1.490564 -3.048827 ESP Fit Center 5330 is at 2.431830 2.244945 2.615028 ESP Fit Center 5331 is at 2.223171 2.606353 2.615028 ESP Fit Center 5332 is at 2.839827 2.244945 2.521905 ESP Fit Center 5333 is at 2.729255 2.657602 2.521905 ESP Fit Center 5334 is at 2.427169 2.959688 2.521905 ESP Fit Center 5335 is at 2.014512 3.070259 2.521905 ESP Fit Center 5336 is at 1.601855 2.959688 2.521905 ESP Fit Center 5337 is at 2.729255 1.832288 2.521905 ESP Fit Center 5338 is at 3.229386 2.244945 2.369014 ESP Fit Center 5339 is at 3.156121 2.660457 2.369014 ESP Fit Center 5340 is at 2.945160 3.025851 2.369014 ESP Fit Center 5341 is at 2.621949 3.297057 2.369014 ESP Fit Center 5342 is at 2.225473 3.441363 2.369014 ESP Fit Center 5343 is at 1.803551 3.441363 2.369014 ESP Fit Center 5344 is at 1.407075 3.297057 2.369014 ESP Fit Center 5345 is at 3.156121 1.829433 2.369014 ESP Fit Center 5346 is at 3.591808 2.244945 2.159770 ESP Fit Center 5347 is at 3.538063 2.653179 2.159770 ESP Fit Center 5348 is at 3.380491 3.033593 2.159770 ESP Fit Center 5349 is at 3.129829 3.360262 2.159770 ESP Fit Center 5350 is at 2.803160 3.610924 2.159770 ESP Fit Center 5351 is at 2.422746 3.768496 2.159770 ESP Fit Center 5352 is at 2.014512 3.822241 2.159770 ESP Fit Center 5353 is at 1.606278 3.768496 2.159770 ESP Fit Center 5354 is at 1.225864 3.610924 2.159770 ESP Fit Center 5355 is at 3.538063 1.836711 2.159770 ESP Fit Center 5356 is at 3.918996 2.244945 1.898847 ESP Fit Center 5357 is at 3.874470 2.654353 1.898847 ESP Fit Center 5358 is at 3.742975 3.044617 1.898847 ESP Fit Center 5359 is at 3.530658 3.397489 1.898847 ESP Fit Center 5360 is at 3.247449 3.696470 1.898847 ESP Fit Center 5361 is at 2.906588 3.927579 1.898847 ESP Fit Center 5362 is at 2.524015 4.080010 1.898847 ESP Fit Center 5363 is at 2.117619 4.146636 1.898847 ESP Fit Center 5364 is at 1.706401 4.124340 1.898847 ESP Fit Center 5365 is at 1.309590 4.014166 1.898847 ESP Fit Center 5366 is at 3.742975 1.445273 1.898847 ESP Fit Center 5367 is at 3.874470 1.835537 1.898847 ESP Fit Center 5368 is at 4.203640 2.244945 1.592073 ESP Fit Center 5369 is at 4.164080 2.659240 1.592073 ESP Fit Center 5370 is at 4.046828 3.058562 1.592073 ESP Fit Center 5371 is at 3.856124 3.428477 1.592073 ESP Fit Center 5372 is at 3.598859 3.755616 1.592073 ESP Fit Center 5373 is at 3.284331 4.028156 1.592073 ESP Fit Center 5374 is at 2.923909 4.236246 1.592073 ESP Fit Center 5375 is at 2.530619 4.372365 1.592073 ESP Fit Center 5376 is at 2.118675 4.431594 1.592073 ESP Fit Center 5377 is at 1.702967 4.411791 1.592073 ESP Fit Center 5378 is at 1.298518 4.313673 1.592073 ESP Fit Center 5379 is at 4.164080 1.830650 1.592073 ESP Fit Center 5380 is at 4.439383 2.244945 1.246301 ESP Fit Center 5381 is at 4.404504 2.654750 1.246301 ESP Fit Center 5382 is at 4.300868 3.052766 1.246301 ESP Fit Center 5383 is at 4.131459 3.427542 1.246301 ESP Fit Center 5384 is at 3.901148 3.768297 1.246301 ESP Fit Center 5385 is at 3.616563 4.065229 1.246301 ESP Fit Center 5386 is at 3.285890 4.309793 1.246301 ESP Fit Center 5387 is at 2.918641 4.494956 1.246301 ESP Fit Center 5388 is at 2.525382 4.615390 1.246301 ESP Fit Center 5389 is at 2.117426 4.667631 1.246301 ESP Fit Center 5390 is at 1.706510 4.650176 1.246301 ESP Fit Center 5391 is at 1.304455 4.563526 1.246301 ESP Fit Center 5392 is at 4.404504 1.835140 1.246301 ESP Fit Center 5393 is at 4.620959 2.244945 0.869256 ESP Fit Center 5394 is at 4.588869 2.652683 0.869256 ESP Fit Center 5395 is at 4.493390 3.050381 0.869256 ESP Fit Center 5396 is at 4.336873 3.428247 0.869256 ESP Fit Center 5397 is at 4.123172 3.776976 0.869256 ESP Fit Center 5398 is at 3.857548 4.087981 0.869256 ESP Fit Center 5399 is at 3.546543 4.353604 0.869256 ESP Fit Center 5400 is at 3.197814 4.567306 0.869256 ESP Fit Center 5401 is at 2.819948 4.723823 0.869256 ESP Fit Center 5402 is at 2.422250 4.819302 0.869256 ESP Fit Center 5403 is at 2.014512 4.851391 0.869256 ESP Fit Center 5404 is at 1.606774 4.819302 0.869256 ESP Fit Center 5405 is at 1.209076 4.723823 0.869256 ESP Fit Center 5406 is at 4.744310 2.244945 0.469360 ESP Fit Center 5407 is at 4.712318 2.661647 0.469360 ESP Fit Center 5408 is at 4.617092 3.068581 0.469360 ESP Fit Center 5409 is at 4.460863 3.456211 0.469360 ESP Fit Center 5410 is at 4.247294 3.815449 0.469360 ESP Fit Center 5411 is at 3.981391 4.137876 0.469360 ESP Fit Center 5412 is at 3.669385 4.415934 0.469360 ESP Fit Center 5413 is at 3.318591 4.643106 0.469360 ESP Fit Center 5414 is at 2.937230 4.814067 0.469360 ESP Fit Center 5415 is at 2.534241 4.924811 0.469360 ESP Fit Center 5416 is at 2.119071 4.972740 0.469360 ESP Fit Center 5417 is at 1.701449 4.956732 0.469360 ESP Fit Center 5418 is at 1.291166 4.877162 0.469360 ESP Fit Center 5419 is at 4.806683 2.244945 0.055546 ESP Fit Center 5420 is at 4.775496 2.661096 0.055546 ESP Fit Center 5421 is at 4.682634 3.067952 0.055546 ESP Fit Center 5422 is at 4.530171 3.456422 0.055546 ESP Fit Center 5423 is at 4.321512 3.817831 0.055546 ESP Fit Center 5424 is at 4.061318 4.144103 0.055546 ESP Fit Center 5425 is at 3.755402 4.427952 0.055546 ESP Fit Center 5426 is at 3.410597 4.663036 0.055546 ESP Fit Center 5427 is at 3.034607 4.844103 0.055546 ESP Fit Center 5428 is at 2.635828 4.967110 0.055546 ESP Fit Center 5429 is at 2.223171 5.029308 0.055546 ESP Fit Center 5430 is at 1.805853 5.029308 0.055546 ESP Fit Center 5431 is at 1.393196 4.967110 0.055546 ESP Fit Center 5432 is at 4.806683 2.244945 -0.362943 ESP Fit Center 5433 is at 4.775496 2.661096 -0.362943 ESP Fit Center 5434 is at 4.682634 3.067952 -0.362943 ESP Fit Center 5435 is at 4.530171 3.456422 -0.362943 ESP Fit Center 5436 is at 4.321512 3.817831 -0.362943 ESP Fit Center 5437 is at 4.061318 4.144103 -0.362943 ESP Fit Center 5438 is at 3.755402 4.427952 -0.362943 ESP Fit Center 5439 is at 3.410597 4.663036 -0.362943 ESP Fit Center 5440 is at 3.034607 4.844103 -0.362943 ESP Fit Center 5441 is at 2.635828 4.967110 -0.362943 ESP Fit Center 5442 is at 2.223171 5.029308 -0.362943 ESP Fit Center 5443 is at 1.805853 5.029308 -0.362943 ESP Fit Center 5444 is at 1.393196 4.967110 -0.362943 ESP Fit Center 5445 is at 4.744310 2.244945 -0.776757 ESP Fit Center 5446 is at 4.712318 2.661647 -0.776757 ESP Fit Center 5447 is at 4.617092 3.068581 -0.776757 ESP Fit Center 5448 is at 4.460863 3.456211 -0.776757 ESP Fit Center 5449 is at 4.247294 3.815449 -0.776757 ESP Fit Center 5450 is at 3.981391 4.137876 -0.776757 ESP Fit Center 5451 is at 3.669385 4.415934 -0.776757 ESP Fit Center 5452 is at 3.318591 4.643106 -0.776757 ESP Fit Center 5453 is at 2.937230 4.814067 -0.776757 ESP Fit Center 5454 is at 2.534241 4.924811 -0.776757 ESP Fit Center 5455 is at 2.119071 4.972740 -0.776757 ESP Fit Center 5456 is at 1.701449 4.956732 -0.776757 ESP Fit Center 5457 is at 1.291166 4.877162 -0.776757 ESP Fit Center 5458 is at 4.620959 2.244945 -1.176654 ESP Fit Center 5459 is at 4.588869 2.652683 -1.176654 ESP Fit Center 5460 is at 4.493390 3.050381 -1.176654 ESP Fit Center 5461 is at 4.336873 3.428247 -1.176654 ESP Fit Center 5462 is at 4.123172 3.776976 -1.176654 ESP Fit Center 5463 is at 3.857548 4.087981 -1.176654 ESP Fit Center 5464 is at 3.546543 4.353604 -1.176654 ESP Fit Center 5465 is at 3.197814 4.567306 -1.176654 ESP Fit Center 5466 is at 2.819948 4.723823 -1.176654 ESP Fit Center 5467 is at 2.422250 4.819302 -1.176654 ESP Fit Center 5468 is at 2.014512 4.851391 -1.176654 ESP Fit Center 5469 is at 1.606774 4.819302 -1.176654 ESP Fit Center 5470 is at 1.209076 4.723823 -1.176654 ESP Fit Center 5471 is at 4.439383 2.244945 -1.553699 ESP Fit Center 5472 is at 4.404504 2.654750 -1.553699 ESP Fit Center 5473 is at 4.300868 3.052766 -1.553699 ESP Fit Center 5474 is at 4.131459 3.427542 -1.553699 ESP Fit Center 5475 is at 3.901148 3.768297 -1.553699 ESP Fit Center 5476 is at 3.616563 4.065229 -1.553699 ESP Fit Center 5477 is at 3.285890 4.309793 -1.553699 ESP Fit Center 5478 is at 2.918641 4.494956 -1.553699 ESP Fit Center 5479 is at 2.525382 4.615390 -1.553699 ESP Fit Center 5480 is at 2.117426 4.667631 -1.553699 ESP Fit Center 5481 is at 1.706510 4.650176 -1.553699 ESP Fit Center 5482 is at 1.304455 4.563526 -1.553699 ESP Fit Center 5483 is at 0.922826 4.410175 -1.553699 ESP Fit Center 5484 is at 4.203640 2.244945 -1.899470 ESP Fit Center 5485 is at 4.164080 2.659240 -1.899470 ESP Fit Center 5486 is at 4.046828 3.058562 -1.899470 ESP Fit Center 5487 is at 3.856124 3.428477 -1.899470 ESP Fit Center 5488 is at 3.598859 3.755616 -1.899470 ESP Fit Center 5489 is at 3.284331 4.028156 -1.899470 ESP Fit Center 5490 is at 2.923909 4.236246 -1.899470 ESP Fit Center 5491 is at 2.530619 4.372365 -1.899470 ESP Fit Center 5492 is at 2.118675 4.431594 -1.899470 ESP Fit Center 5493 is at 1.702967 4.411791 -1.899470 ESP Fit Center 5494 is at 1.298518 4.313673 -1.899470 ESP Fit Center 5495 is at 0.919948 4.140786 -1.899470 ESP Fit Center 5496 is at 4.164080 1.830650 -1.899470 ESP Fit Center 5497 is at 3.918996 2.244945 -2.206244 ESP Fit Center 5498 is at 3.874470 2.654353 -2.206244 ESP Fit Center 5499 is at 3.742975 3.044617 -2.206244 ESP Fit Center 5500 is at 3.530658 3.397489 -2.206244 ESP Fit Center 5501 is at 3.247449 3.696470 -2.206244 ESP Fit Center 5502 is at 2.906588 3.927579 -2.206244 ESP Fit Center 5503 is at 2.524015 4.080010 -2.206244 ESP Fit Center 5504 is at 2.117619 4.146636 -2.206244 ESP Fit Center 5505 is at 1.706401 4.124340 -2.206244 ESP Fit Center 5506 is at 1.309590 4.014166 -2.206244 ESP Fit Center 5507 is at 0.945740 3.821265 -2.206244 ESP Fit Center 5508 is at 3.874470 1.835537 -2.206244 ESP Fit Center 5509 is at 3.591808 2.244945 -2.467167 ESP Fit Center 5510 is at 3.538063 2.653179 -2.467167 ESP Fit Center 5511 is at 3.380491 3.033593 -2.467167 ESP Fit Center 5512 is at 3.129829 3.360262 -2.467167 ESP Fit Center 5513 is at 2.803160 3.610924 -2.467167 ESP Fit Center 5514 is at 2.422746 3.768496 -2.467167 ESP Fit Center 5515 is at 2.014512 3.822241 -2.467167 ESP Fit Center 5516 is at 1.606278 3.768496 -2.467167 ESP Fit Center 5517 is at 1.225864 3.610924 -2.467167 ESP Fit Center 5518 is at 0.899195 3.360262 -2.467167 ESP Fit Center 5519 is at 3.380491 1.456297 -2.467167 ESP Fit Center 5520 is at 3.538063 1.836711 -2.467167 ESP Fit Center 5521 is at 3.229386 2.244945 -2.676411 ESP Fit Center 5522 is at 3.156121 2.660457 -2.676411 ESP Fit Center 5523 is at 2.945160 3.025851 -2.676411 ESP Fit Center 5524 is at 2.621949 3.297057 -2.676411 ESP Fit Center 5525 is at 2.225473 3.441363 -2.676411 ESP Fit Center 5526 is at 1.803551 3.441363 -2.676411 ESP Fit Center 5527 is at 1.407075 3.297057 -2.676411 ESP Fit Center 5528 is at 1.083864 3.025851 -2.676411 ESP Fit Center 5529 is at 2.945160 1.464039 -2.676411 ESP Fit Center 5530 is at 3.156121 1.829433 -2.676411 ESP Fit Center 5531 is at 2.839827 2.244945 -2.829302 ESP Fit Center 5532 is at 2.729255 2.657602 -2.829302 ESP Fit Center 5533 is at 2.427169 2.959688 -2.829302 ESP Fit Center 5534 is at 2.014512 3.070259 -2.829302 ESP Fit Center 5535 is at 1.601855 2.959688 -2.829302 ESP Fit Center 5536 is at 1.299769 2.657602 -2.829302 ESP Fit Center 5537 is at 2.427169 1.530202 -2.829302 ESP Fit Center 5538 is at 2.729255 1.832288 -2.829302 ESP Fit Center 5539 is at 2.431830 2.244945 -2.922425 ESP Fit Center 5540 is at 2.223171 2.606353 -2.922425 ESP Fit Center 5541 is at 1.805853 2.606353 -2.922425 ESP Fit Center 5542 is at 1.597194 2.244945 -2.922425 ESP Fit Center 5543 is at 2.223171 1.883537 -2.922425 ESP Fit Center 5544 is at 2.014512 2.244945 -2.953699 ESP Fit Center 5545 is at 0.975088 0.490974 3.009845 ESP Fit Center 5546 is at 0.770838 0.137203 3.009845 ESP Fit Center 5547 is at 1.179338 0.946593 2.926539 ESP Fit Center 5548 is at 0.774643 0.838155 2.926539 ESP Fit Center 5549 is at 0.478385 0.541898 2.926539 ESP Fit Center 5550 is at 0.056214 0.545986 -2.713847 ESP Fit Center 5551 is at 0.478385 0.541898 -2.850965 ESP Fit Center 5552 is at 0.369948 0.137203 -2.850965 ESP Fit Center 5553 is at 0.975088 0.490974 -2.934271 ESP Fit Center 5554 is at 0.033974 -0.662416 3.120034 ESP Fit Center 5555 is at 0.442474 -0.662416 3.092092 ESP Fit Center 5556 is at 0.238224 -0.308644 3.092092 ESP Fit Center 5557 is at -0.170276 -0.308644 3.092092 ESP Fit Center 5558 is at -0.374526 -0.662416 3.092092 ESP Fit Center 5559 is at -0.170276 -1.016187 3.092092 ESP Fit Center 5560 is at 0.238224 -1.016187 3.092092 ESP Fit Center 5561 is at 0.438669 0.038537 3.008786 ESP Fit Center 5562 is at 0.033974 0.146975 3.008786 ESP Fit Center 5563 is at -0.666978 -1.067111 3.008786 ESP Fit Center 5564 is at -0.370721 -1.363368 3.008786 ESP Fit Center 5565 is at 0.033974 -1.471806 3.008786 ESP Fit Center 5566 is at 0.438669 -1.363368 3.008786 ESP Fit Center 5567 is at 0.241519 0.514630 2.871668 ESP Fit Center 5568 is at -0.563627 -1.697492 2.871668 ESP Fit Center 5569 is at -0.173571 -1.839461 2.871668 ESP Fit Center 5570 is at 0.241519 -1.839461 2.871668 ESP Fit Center 5571 is at -0.488020 -2.131166 2.683292 ESP Fit Center 5572 is at -0.072399 -2.217534 2.683292 ESP Fit Center 5573 is at -0.272322 -2.530738 -2.207100 ESP Fit Center 5574 is at -0.864927 -1.935869 -2.443224 ESP Fit Center 5575 is at -0.488020 -2.131166 -2.443224 ESP Fit Center 5576 is at -0.173571 0.514630 -2.631600 ESP Fit Center 5577 is at -0.881605 -1.430677 -2.631600 ESP Fit Center 5578 is at -0.563627 -1.697492 -2.631600 ESP Fit Center 5579 is at -0.173571 -1.839461 -2.631600 ESP Fit Center 5580 is at 0.033974 0.146975 -2.768718 ESP Fit Center 5581 is at -0.370721 0.038537 -2.768718 ESP Fit Center 5582 is at -0.775416 -0.662416 -2.768718 ESP Fit Center 5583 is at -0.666978 -1.067111 -2.768718 ESP Fit Center 5584 is at -0.370721 -1.363368 -2.768718 ESP Fit Center 5585 is at 0.238224 -0.308644 -2.852024 ESP Fit Center 5586 is at -0.170276 -0.308644 -2.852024 ESP Fit Center 5587 is at -0.374526 -0.662416 -2.852024 ESP Fit Center 5588 is at -0.170276 -1.016187 -2.852024 ESP Fit Center 5589 is at 0.033974 -0.662416 -2.879966 ESP Fit Center 5590 is at -1.207492 -0.199427 3.171695 ESP Fit Center 5591 is at -0.798992 -0.199427 3.143753 ESP Fit Center 5592 is at -1.003242 0.154345 3.143753 ESP Fit Center 5593 is at -1.411742 0.154345 3.143753 ESP Fit Center 5594 is at -1.615991 -0.199427 3.143753 ESP Fit Center 5595 is at -1.003242 -0.553198 3.143753 ESP Fit Center 5596 is at -0.398101 -0.199427 3.060447 ESP Fit Center 5597 is at -0.506539 0.205268 3.060447 ESP Fit Center 5598 is at -0.802796 0.501526 3.060447 ESP Fit Center 5599 is at -1.908444 0.205268 3.060447 ESP Fit Center 5600 is at -0.802796 -0.900379 3.060447 ESP Fit Center 5601 is at -0.291913 0.568835 2.923329 ESP Fit Center 5602 is at -0.506539 0.205268 -2.717057 ESP Fit Center 5603 is at -0.802796 0.501526 -2.717057 ESP Fit Center 5604 is at -0.798992 -0.199427 -2.800363 ESP Fit Center 5605 is at -1.003242 0.154345 -2.800363 ESP Fit Center 5606 is at -1.003242 -0.553198 -2.800363 ESP Fit Center 5607 is at -1.207492 -0.199427 -2.828305 ESP Fit Center 5608 is at 4.510789 1.102167 1.642527 ESP Fit Center 5609 is at 4.245652 1.428064 1.642527 ESP Fit Center 5610 is at 4.981634 0.724599 1.346711 ESP Fit Center 5611 is at 4.835634 1.125731 1.346711 ESP Fit Center 5612 is at 4.601062 1.482380 1.346711 ESP Fit Center 5613 is at 5.228599 0.719001 1.004021 ESP Fit Center 5614 is at 5.102702 1.120264 1.004021 ESP Fit Center 5615 is at 4.898609 1.487969 1.004021 ESP Fit Center 5616 is at 4.624675 1.807064 1.004021 ESP Fit Center 5617 is at 5.447947 0.300610 0.624869 ESP Fit Center 5618 is at 5.407191 0.727422 0.624869 ESP Fit Center 5619 is at 5.286398 1.138807 0.624869 ESP Fit Center 5620 is at 5.089932 1.519897 0.624869 ESP Fit Center 5621 is at 4.824894 1.856919 0.624869 ESP Fit Center 5622 is at 5.556223 0.300610 0.220776 ESP Fit Center 5623 is at 5.518240 0.722636 0.220776 ESP Fit Center 5624 is at 5.405512 1.131098 0.220776 ESP Fit Center 5625 is at 5.221661 1.512868 0.220776 ESP Fit Center 5626 is at 4.972598 1.855674 0.220776 ESP Fit Center 5627 is at 5.518240 -0.121416 0.220776 ESP Fit Center 5628 is at 5.592684 0.300610 -0.195979 ESP Fit Center 5629 is at 5.556223 0.717366 -0.195979 ESP Fit Center 5630 is at 5.447947 1.121459 -0.195979 ESP Fit Center 5631 is at 5.271145 1.500610 -0.195979 ESP Fit Center 5632 is at 5.031191 1.843301 -0.195979 ESP Fit Center 5633 is at 5.556223 -0.116145 -0.195979 ESP Fit Center 5634 is at 5.556223 0.300610 -0.612735 ESP Fit Center 5635 is at 5.518240 0.722636 -0.612735 ESP Fit Center 5636 is at 5.405512 1.131098 -0.612735 ESP Fit Center 5637 is at 5.221661 1.512868 -0.612735 ESP Fit Center 5638 is at 4.972598 1.855674 -0.612735 ESP Fit Center 5639 is at 5.518240 -0.121416 -0.612735 ESP Fit Center 5640 is at 5.447947 0.300610 -1.016828 ESP Fit Center 5641 is at 5.407191 0.727422 -1.016828 ESP Fit Center 5642 is at 5.286398 1.138807 -1.016828 ESP Fit Center 5643 is at 5.089932 1.519897 -1.016828 ESP Fit Center 5644 is at 4.824894 1.856919 -1.016828 ESP Fit Center 5645 is at 5.407191 -0.126201 -1.016828 ESP Fit Center 5646 is at 5.271145 0.300610 -1.395979 ESP Fit Center 5647 is at 5.228599 0.719001 -1.395979 ESP Fit Center 5648 is at 5.102702 1.120264 -1.395979 ESP Fit Center 5649 is at 4.898609 1.487969 -1.395979 ESP Fit Center 5650 is at 4.624675 1.807064 -1.395979 ESP Fit Center 5651 is at 5.228599 -0.117781 -1.395979 ESP Fit Center 5652 is at 5.031191 0.300610 -1.738670 ESP Fit Center 5653 is at 4.981634 0.724599 -1.738670 ESP Fit Center 5654 is at 4.835634 1.125731 -1.738670 ESP Fit Center 5655 is at 4.601062 1.482380 -1.738670 ESP Fit Center 5656 is at 4.290564 1.775319 -1.738670 ESP Fit Center 5657 is at 4.678168 0.716823 -2.034486 ESP Fit Center 5658 is at 4.510789 1.102167 -2.034486 ESP Fit Center 5659 is at 4.245652 1.428064 -2.034486 ESP Fit Center 5660 is at 4.111938 1.071955 -2.274440 ESP Fit Center 5661 is at 3.792684 1.339841 -2.274440 ESP Fit Center 5662 is at 5.356198 -1.786271 2.793934 ESP Fit Center 5663 is at 5.298991 -1.370059 2.793934 ESP Fit Center 5664 is at 4.866476 -2.913725 2.793934 ESP Fit Center 5665 is at 5.131612 -2.587828 2.793934 ESP Fit Center 5666 is at 5.298991 -2.202484 2.793934 ESP Fit Center 5667 is at 5.652015 -1.786271 2.498118 ESP Fit Center 5668 is at 5.602457 -1.362283 2.498118 ESP Fit Center 5669 is at 5.456458 -0.961151 2.498118 ESP Fit Center 5670 is at 4.541703 -3.474418 2.498118 ESP Fit Center 5671 is at 4.911388 -3.260980 2.498118 ESP Fit Center 5672 is at 5.221886 -2.968041 2.498118 ESP Fit Center 5673 is at 5.456458 -2.611392 2.498118 ESP Fit Center 5674 is at 5.602457 -2.210260 2.498118 ESP Fit Center 5675 is at 5.891969 -1.786271 2.155427 ESP Fit Center 5676 is at 5.849423 -1.367880 2.155427 ESP Fit Center 5677 is at 5.723526 -0.966618 2.155427 ESP Fit Center 5678 is at 5.519433 -0.598913 2.155427 ESP Fit Center 5679 is at 4.535368 -3.735353 2.155427 ESP Fit Center 5680 is at 4.912939 -3.550145 2.155427 ESP Fit Center 5681 is at 5.245499 -3.292725 2.155427 ESP Fit Center 5682 is at 5.519433 -2.973630 2.155427 ESP Fit Center 5683 is at 5.723526 -2.605925 2.155427 ESP Fit Center 5684 is at 5.849423 -2.204662 2.155427 ESP Fit Center 5685 is at 6.068770 -1.786271 1.776276 ESP Fit Center 5686 is at 6.028015 -1.359460 1.776276 ESP Fit Center 5687 is at 5.907221 -0.948075 1.776276 ESP Fit Center 5688 is at 5.710755 -0.566985 1.776276 ESP Fit Center 5689 is at 4.345206 -3.977961 1.776276 ESP Fit Center 5690 is at 4.750378 -3.837730 1.776276 ESP Fit Center 5691 is at 5.121688 -3.623354 1.776276 ESP Fit Center 5692 is at 5.445718 -3.342581 1.776276 ESP Fit Center 5693 is at 5.710755 -3.005558 1.776276 ESP Fit Center 5694 is at 5.907221 -2.624468 1.776276 ESP Fit Center 5695 is at 6.028015 -2.213083 1.776276 ESP Fit Center 5696 is at 6.177047 -1.786271 1.372183 ESP Fit Center 5697 is at 6.139064 -1.364245 1.372183 ESP Fit Center 5698 is at 6.026335 -0.955783 1.372183 ESP Fit Center 5699 is at 5.842485 -0.574014 1.372183 ESP Fit Center 5700 is at 5.593421 -0.231208 1.372183 ESP Fit Center 5701 is at 4.130774 -4.128419 1.372183 ESP Fit Center 5702 is at 4.543882 -4.034130 1.372183 ESP Fit Center 5703 is at 4.933515 -3.867593 1.372183 ESP Fit Center 5704 is at 5.287150 -3.634160 1.372183 ESP Fit Center 5705 is at 5.593421 -3.341335 1.372183 ESP Fit Center 5706 is at 5.842485 -2.998529 1.372183 ESP Fit Center 5707 is at 6.026335 -2.616759 1.372183 ESP Fit Center 5708 is at 6.139064 -2.208297 1.372183 ESP Fit Center 5709 is at 6.213508 -1.786271 0.955427 ESP Fit Center 5710 is at 6.177047 -1.369516 0.955427 ESP Fit Center 5711 is at 6.068770 -0.965423 0.955427 ESP Fit Center 5712 is at 5.891969 -0.586271 0.955427 ESP Fit Center 5713 is at 5.652015 -0.243581 0.955427 ESP Fit Center 5714 is at 4.230264 -4.149810 0.955427 ESP Fit Center 5715 is at 4.634356 -4.041534 0.955427 ESP Fit Center 5716 is at 5.013508 -3.864732 0.955427 ESP Fit Center 5717 is at 5.356198 -3.624778 0.955427 ESP Fit Center 5718 is at 5.652015 -3.328962 0.955427 ESP Fit Center 5719 is at 5.891969 -2.986271 0.955427 ESP Fit Center 5720 is at 6.068770 -2.607120 0.955427 ESP Fit Center 5721 is at 6.177047 -2.203027 0.955427 ESP Fit Center 5722 is at 6.177047 -1.786271 0.538672 ESP Fit Center 5723 is at 6.139064 -1.364245 0.538672 ESP Fit Center 5724 is at 6.026335 -0.955783 0.538672 ESP Fit Center 5725 is at 5.842485 -0.574014 0.538672 ESP Fit Center 5726 is at 5.593421 -0.231208 0.538672 ESP Fit Center 5727 is at 4.130774 -4.128419 0.538672 ESP Fit Center 5728 is at 4.543882 -4.034130 0.538672 ESP Fit Center 5729 is at 4.933515 -3.867593 0.538672 ESP Fit Center 5730 is at 5.287150 -3.634160 0.538672 ESP Fit Center 5731 is at 5.593421 -3.341335 0.538672 ESP Fit Center 5732 is at 5.842485 -2.998529 0.538672 ESP Fit Center 5733 is at 6.026335 -2.616759 0.538672 ESP Fit Center 5734 is at 6.139064 -2.208297 0.538672 ESP Fit Center 5735 is at 6.068770 -1.786271 0.134579 ESP Fit Center 5736 is at 6.028015 -1.359460 0.134579 ESP Fit Center 5737 is at 5.907221 -0.948075 0.134579 ESP Fit Center 5738 is at 5.710755 -0.566985 0.134579 ESP Fit Center 5739 is at 3.920818 -4.038979 0.134579 ESP Fit Center 5740 is at 4.345206 -3.977961 0.134579 ESP Fit Center 5741 is at 4.750378 -3.837730 0.134579 ESP Fit Center 5742 is at 5.121688 -3.623354 0.134579 ESP Fit Center 5743 is at 5.445718 -3.342581 0.134579 ESP Fit Center 5744 is at 5.710755 -3.005558 0.134579 ESP Fit Center 5745 is at 5.907221 -2.624468 0.134579 ESP Fit Center 5746 is at 6.028015 -2.213083 0.134579 ESP Fit Center 5747 is at 5.891969 -1.786271 -0.244573 ESP Fit Center 5748 is at 5.849423 -1.367880 -0.244573 ESP Fit Center 5749 is at 5.723526 -0.966618 -0.244573 ESP Fit Center 5750 is at 5.519433 -0.598913 -0.244573 ESP Fit Center 5751 is at 4.128245 -3.840764 -0.244573 ESP Fit Center 5752 is at 4.535368 -3.735353 -0.244573 ESP Fit Center 5753 is at 4.912939 -3.550145 -0.244573 ESP Fit Center 5754 is at 5.245499 -3.292725 -0.244573 ESP Fit Center 5755 is at 5.519433 -2.973630 -0.244573 ESP Fit Center 5756 is at 5.723526 -2.605925 -0.244573 ESP Fit Center 5757 is at 5.849423 -2.204662 -0.244573 ESP Fit Center 5758 is at 5.652015 -1.786271 -0.587263 ESP Fit Center 5759 is at 5.602457 -1.362283 -0.587263 ESP Fit Center 5760 is at 5.456458 -0.961151 -0.587263 ESP Fit Center 5761 is at 4.132761 -3.596847 -0.587263 ESP Fit Center 5762 is at 4.541703 -3.474418 -0.587263 ESP Fit Center 5763 is at 4.911388 -3.260980 -0.587263 ESP Fit Center 5764 is at 5.221886 -2.968041 -0.587263 ESP Fit Center 5765 is at 5.456458 -2.611392 -0.587263 ESP Fit Center 5766 is at 5.602457 -2.210260 -0.587263 ESP Fit Center 5767 is at 5.356198 -1.786271 -0.883079 ESP Fit Center 5768 is at 4.866476 -2.913725 -0.883079 ESP Fit Center 5769 is at 5.131612 -2.587828 -0.883079 ESP Fit Center 5770 is at 5.298991 -2.202484 -0.883079 ESP Fit Center 5771 is at 2.805446 -0.783017 4.401329 ESP Fit Center 5772 is at 3.222202 -0.783017 4.364868 ESP Fit Center 5773 is at 3.013824 -0.422096 4.364868 ESP Fit Center 5774 is at 2.597068 -0.422096 4.364868 ESP Fit Center 5775 is at 2.388691 -0.783017 4.364868 ESP Fit Center 5776 is at 2.597068 -1.143938 4.364868 ESP Fit Center 5777 is at 3.013824 -1.143938 4.364868 ESP Fit Center 5778 is at 3.626294 -0.783017 4.256591 ESP Fit Center 5779 is at 3.516322 -0.372593 4.256591 ESP Fit Center 5780 is at 3.215870 -0.072142 4.256591 ESP Fit Center 5781 is at 2.805446 0.037831 4.256591 ESP Fit Center 5782 is at 2.395022 -0.072142 4.256591 ESP Fit Center 5783 is at 2.094571 -0.372593 4.256591 ESP Fit Center 5784 is at 1.984598 -0.783017 4.256591 ESP Fit Center 5785 is at 2.094571 -1.193441 4.256591 ESP Fit Center 5786 is at 2.395022 -1.493893 4.256591 ESP Fit Center 5787 is at 2.805446 -1.603866 4.256591 ESP Fit Center 5788 is at 3.215870 -1.493893 4.256591 ESP Fit Center 5789 is at 3.516322 -1.193441 4.256591 ESP Fit Center 5790 is at 4.005446 -0.783017 4.079790 ESP Fit Center 5791 is at 3.933077 -0.372593 4.079790 ESP Fit Center 5792 is at 3.724699 -0.011672 4.079790 ESP Fit Center 5793 is at 3.405446 0.256213 4.079790 ESP Fit Center 5794 is at 3.013824 0.398752 4.079790 ESP Fit Center 5795 is at 2.597068 0.398752 4.079790 ESP Fit Center 5796 is at 2.205446 0.256213 4.079790 ESP Fit Center 5797 is at 1.886193 -0.011672 4.079790 ESP Fit Center 5798 is at 1.677815 -0.372593 4.079790 ESP Fit Center 5799 is at 1.605446 -0.783017 4.079790 ESP Fit Center 5800 is at 1.677815 -1.193441 4.079790 ESP Fit Center 5801 is at 1.886193 -1.554362 4.079790 ESP Fit Center 5802 is at 2.205446 -1.822248 4.079790 ESP Fit Center 5803 is at 2.597068 -1.964787 4.079790 ESP Fit Center 5804 is at 3.013824 -1.964787 4.079790 ESP Fit Center 5805 is at 3.405446 -1.822248 4.079790 ESP Fit Center 5806 is at 3.724699 -1.554362 4.079790 ESP Fit Center 5807 is at 3.933077 -1.193441 4.079790 ESP Fit Center 5808 is at 4.348136 -0.783017 3.839836 ESP Fit Center 5809 is at 4.290929 -0.366804 3.839836 ESP Fit Center 5810 is at 4.123551 0.018540 3.839836 ESP Fit Center 5811 is at 3.858414 0.344436 3.839836 ESP Fit Center 5812 is at 3.515184 0.586715 3.839836 ESP Fit Center 5813 is at 3.119316 0.727406 3.839836 ESP Fit Center 5814 is at 2.700169 0.756077 3.839836 ESP Fit Center 5815 is at 2.288831 0.670600 3.839836 ESP Fit Center 5816 is at 1.915807 0.477314 3.839836 ESP Fit Center 5817 is at 1.608764 0.190556 3.839836 ESP Fit Center 5818 is at 1.390473 -0.168408 3.839836 ESP Fit Center 5819 is at 1.277125 -0.572954 3.839836 ESP Fit Center 5820 is at 1.277125 -0.993080 3.839836 ESP Fit Center 5821 is at 1.390473 -1.397627 3.839836 ESP Fit Center 5822 is at 1.608764 -1.756590 3.839836 ESP Fit Center 5823 is at 4.123551 -1.584574 3.839836 ESP Fit Center 5824 is at 4.290929 -1.199230 3.839836 ESP Fit Center 5825 is at 4.643953 -0.783017 3.544019 ESP Fit Center 5826 is at 4.594396 -0.359028 3.544019 ESP Fit Center 5827 is at 4.448396 0.042103 3.544019 ESP Fit Center 5828 is at 4.213824 0.398752 3.544019 ESP Fit Center 5829 is at 3.903326 0.691692 3.544019 ESP Fit Center 5830 is at 3.533641 0.905129 3.544019 ESP Fit Center 5831 is at 3.124699 1.027558 3.544019 ESP Fit Center 5832 is at 2.698546 1.052379 3.544019 ESP Fit Center 5833 is at 2.278156 0.978253 3.544019 ESP Fit Center 5834 is at 1.886193 0.809176 3.544019 ESP Fit Center 5835 is at 1.543786 0.554264 3.544019 ESP Fit Center 5836 is at 1.269396 0.227259 3.544019 ESP Fit Center 5837 is at 1.077815 -0.154211 3.544019 ESP Fit Center 5838 is at 0.979371 -0.569580 3.544019 ESP Fit Center 5839 is at 0.979371 -0.996455 3.544019 ESP Fit Center 5840 is at 1.077815 -1.411824 3.544019 ESP Fit Center 5841 is at 4.594396 -1.207006 3.544019 ESP Fit Center 5842 is at 4.883907 -0.783017 3.201329 ESP Fit Center 5843 is at 4.841361 -0.364626 3.201329 ESP Fit Center 5844 is at 4.715464 0.036636 3.201329 ESP Fit Center 5845 is at 4.511371 0.404341 3.201329 ESP Fit Center 5846 is at 4.237437 0.723436 3.201329 ESP Fit Center 5847 is at 3.904877 0.980857 3.201329 ESP Fit Center 5848 is at 3.527307 1.166064 3.201329 ESP Fit Center 5849 is at 3.120183 1.271476 3.201329 ESP Fit Center 5850 is at 2.700174 1.292776 3.201329 ESP Fit Center 5851 is at 2.284475 1.229093 3.201329 ESP Fit Center 5852 is at 1.890104 1.083034 3.201329 ESP Fit Center 5853 is at 1.533208 0.860579 3.201329 ESP Fit Center 5854 is at 1.228397 0.570835 3.201329 ESP Fit Center 5855 is at 0.988151 0.225664 3.201329 ESP Fit Center 5856 is at 0.822305 -0.160803 3.201329 ESP Fit Center 5857 is at 0.737649 -0.572743 3.201329 ESP Fit Center 5858 is at 4.899159 0.055179 2.822177 ESP Fit Center 5859 is at 4.702694 0.436270 2.822177 ESP Fit Center 5860 is at 4.437656 0.773292 2.822177 ESP Fit Center 5861 is at 4.113627 1.054065 2.822177 ESP Fit Center 5862 is at 3.742316 1.268441 2.822177 ESP Fit Center 5863 is at 3.337144 1.408673 2.822177 ESP Fit Center 5864 is at 2.912756 1.469691 2.822177 ESP Fit Center 5865 is at 2.484489 1.449290 2.822177 ESP Fit Center 5866 is at 2.067822 1.348207 2.822177 ESP Fit Center 5867 is at 4.834423 0.429240 2.418085 ESP Fit Center 5868 is at 4.585360 0.772046 2.418085 ESP Fit Center 5869 is at 4.279088 1.064872 2.418085 ESP Fit Center 5870 is at 3.925453 1.298304 2.418085 ESP Fit Center 5871 is at 3.535820 1.464842 2.418085 ESP Fit Center 5872 is at 3.122712 1.559131 2.418085 ESP Fit Center 5873 is at 4.348136 1.055489 2.001329 ESP Fit Center 5874 is at 4.005446 1.295444 2.001329 ESP Fit Center 5875 is at -0.500370 4.135432 2.084157 ESP Fit Center 5876 is at 0.417746 4.323395 1.844203 ESP Fit Center 5877 is at 0.021877 4.464086 1.844203 ESP Fit Center 5878 is at -0.397269 4.492757 1.844203 ESP Fit Center 5879 is at -0.808608 4.407280 1.844203 ESP Fit Center 5880 is at -1.181631 4.213994 1.844203 ESP Fit Center 5881 is at 0.805888 4.428372 1.548387 ESP Fit Center 5882 is at 0.436203 4.641809 1.548387 ESP Fit Center 5883 is at 0.027261 4.764238 1.548387 ESP Fit Center 5884 is at -0.398892 4.789059 1.548387 ESP Fit Center 5885 is at -0.819282 4.714933 1.548387 ESP Fit Center 5886 is at -1.211245 4.545856 1.548387 ESP Fit Center 5887 is at -1.553652 4.290944 1.548387 ESP Fit Center 5888 is at 0.807439 4.717537 1.205696 ESP Fit Center 5889 is at 0.429868 4.902744 1.205696 ESP Fit Center 5890 is at 0.022745 5.008156 1.205696 ESP Fit Center 5891 is at -0.397264 5.029456 1.205696 ESP Fit Center 5892 is at -0.812964 4.965773 1.205696 ESP Fit Center 5893 is at -1.207334 4.819715 1.205696 ESP Fit Center 5894 is at -1.564231 4.597259 1.205696 ESP Fit Center 5895 is at 1.016188 4.790745 0.826545 ESP Fit Center 5896 is at 0.644878 5.005122 0.826545 ESP Fit Center 5897 is at 0.239706 5.145353 0.826545 ESP Fit Center 5898 is at -0.184682 5.206371 0.826545 ESP Fit Center 5899 is at -0.612949 5.185970 0.826545 ESP Fit Center 5900 is at -1.029616 5.084888 0.826545 ESP Fit Center 5901 is at -1.419623 4.906777 0.826545 ESP Fit Center 5902 is at -1.768875 4.658076 0.826545 ESP Fit Center 5903 is at 0.828015 5.034984 0.422452 ESP Fit Center 5904 is at 0.438381 5.201522 0.422452 ESP Fit Center 5905 is at 0.025273 5.295811 0.422452 ESP Fit Center 5906 is at -0.398032 5.314822 0.422452 ESP Fit Center 5907 is at -0.817929 5.257943 0.422452 ESP Fit Center 5908 is at -1.220922 5.127002 0.422452 ESP Fit Center 5909 is at -1.594058 4.926209 0.422452 ESP Fit Center 5910 is at -1.925345 4.662016 0.422452 ESP Fit Center 5911 is at 0.908008 5.032124 0.005696 ESP Fit Center 5912 is at 0.528856 5.208925 0.005696 ESP Fit Center 5913 is at 0.124763 5.317201 0.005696 ESP Fit Center 5914 is at -0.291992 5.353663 0.005696 ESP Fit Center 5915 is at -0.708748 5.317201 0.005696 ESP Fit Center 5916 is at -1.112840 5.208925 0.005696 ESP Fit Center 5917 is at -1.491992 5.032124 0.005696 ESP Fit Center 5918 is at -1.834682 4.792170 0.005696 ESP Fit Center 5919 is at 0.828015 5.034984 -0.411059 ESP Fit Center 5920 is at 0.438381 5.201522 -0.411059 ESP Fit Center 5921 is at 0.025273 5.295811 -0.411059 ESP Fit Center 5922 is at -0.398032 5.314822 -0.411059 ESP Fit Center 5923 is at -0.817929 5.257943 -0.411059 ESP Fit Center 5924 is at -1.220922 5.127002 -0.411059 ESP Fit Center 5925 is at -1.594058 4.926209 -0.411059 ESP Fit Center 5926 is at -1.925345 4.662016 -0.411059 ESP Fit Center 5927 is at 1.016188 4.790745 -0.815152 ESP Fit Center 5928 is at 0.644878 5.005122 -0.815152 ESP Fit Center 5929 is at 0.239706 5.145353 -0.815152 ESP Fit Center 5930 is at -0.184682 5.206371 -0.815152 ESP Fit Center 5931 is at -0.612949 5.185970 -0.815152 ESP Fit Center 5932 is at -1.029616 5.084888 -0.815152 ESP Fit Center 5933 is at -1.419623 4.906777 -0.815152 ESP Fit Center 5934 is at -1.768875 4.658076 -0.815152 ESP Fit Center 5935 is at 0.807439 4.717537 -1.194304 ESP Fit Center 5936 is at 0.429868 4.902744 -1.194304 ESP Fit Center 5937 is at 0.022745 5.008156 -1.194304 ESP Fit Center 5938 is at -0.397264 5.029456 -1.194304 ESP Fit Center 5939 is at -0.812964 4.965773 -1.194304 ESP Fit Center 5940 is at -1.207334 4.819715 -1.194304 ESP Fit Center 5941 is at -1.564231 4.597259 -1.194304 ESP Fit Center 5942 is at -1.869041 4.307515 -1.194304 ESP Fit Center 5943 is at 0.805888 4.428372 -1.536994 ESP Fit Center 5944 is at 0.436203 4.641809 -1.536994 ESP Fit Center 5945 is at 0.027261 4.764238 -1.536994 ESP Fit Center 5946 is at -0.398892 4.789059 -1.536994 ESP Fit Center 5947 is at -0.819282 4.714933 -1.536994 ESP Fit Center 5948 is at -1.211245 4.545856 -1.536994 ESP Fit Center 5949 is at -1.553652 4.290944 -1.536994 ESP Fit Center 5950 is at -1.828042 3.963939 -1.536994 ESP Fit Center 5951 is at 0.417746 4.323395 -1.832810 ESP Fit Center 5952 is at 0.021877 4.464086 -1.832810 ESP Fit Center 5953 is at -0.397269 4.492757 -1.832810 ESP Fit Center 5954 is at -0.808608 4.407280 -1.832810 ESP Fit Center 5955 is at -1.181631 4.213994 -1.832810 ESP Fit Center 5956 is at -0.083614 4.135432 -2.072765 ESP Fit Center 5957 is at -0.500370 4.135432 -2.072765 ESP Fit Center 5958 is at 0.464808 -4.067658 0.568939 ESP Fit Center 5959 is at 0.564299 -4.089048 0.152183 ESP Fit Center 5960 is at 0.464808 -4.067658 -0.264572 ESP Fit Center 5961 is at 0.877917 -3.973368 -0.264572 ESP Fit Center 5962 is at 0.254853 -3.978217 -0.668665 ESP Fit Center 5963 is at 0.679241 -3.917200 -0.668665 ESP Fit Center 5964 is at 0.040643 -3.560906 -1.390507 ESP Fit Center 5965 is at -2.310731 -1.071779 3.335640 ESP Fit Center 5966 is at -1.902231 -1.071779 3.307698 ESP Fit Center 5967 is at -2.106481 -0.718007 3.307698 ESP Fit Center 5968 is at -2.514981 -0.718007 3.307698 ESP Fit Center 5969 is at -2.719231 -1.071779 3.307698 ESP Fit Center 5970 is at -2.514981 -1.425550 3.307698 ESP Fit Center 5971 is at -2.106481 -1.425550 3.307698 ESP Fit Center 5972 is at -1.501341 -1.071779 3.224392 ESP Fit Center 5973 is at -1.609779 -0.667084 3.224392 ESP Fit Center 5974 is at -1.906036 -0.370826 3.224392 ESP Fit Center 5975 is at -2.310731 -0.262389 3.224392 ESP Fit Center 5976 is at -2.715426 -0.370826 3.224392 ESP Fit Center 5977 is at -3.011684 -0.667084 3.224392 ESP Fit Center 5978 is at -3.120122 -1.071779 3.224392 ESP Fit Center 5979 is at -3.011684 -1.476474 3.224392 ESP Fit Center 5980 is at -2.715426 -1.772731 3.224392 ESP Fit Center 5981 is at -2.310731 -1.881169 3.224392 ESP Fit Center 5982 is at -1.906036 -1.772731 3.224392 ESP Fit Center 5983 is at -1.609779 -1.476474 3.224392 ESP Fit Center 5984 is at -1.115528 -1.071779 3.087274 ESP Fit Center 5985 is at -2.103186 0.105267 3.087274 ESP Fit Center 5986 is at -2.518276 0.105267 3.087274 ESP Fit Center 5987 is at -2.908333 -0.036702 3.087274 ESP Fit Center 5988 is at -3.226310 -0.303517 3.087274 ESP Fit Center 5989 is at -3.433855 -0.662995 3.087274 ESP Fit Center 5990 is at -3.505934 -1.071779 3.087274 ESP Fit Center 5991 is at -3.433855 -1.480562 3.087274 ESP Fit Center 5992 is at -3.226310 -1.840041 3.087274 ESP Fit Center 5993 is at -2.908333 -2.106855 3.087274 ESP Fit Center 5994 is at -2.518276 -2.248824 3.087274 ESP Fit Center 5995 is at -2.103186 -2.248824 3.087274 ESP Fit Center 5996 is at -1.713130 -2.106855 3.087274 ESP Fit Center 5997 is at -1.395152 -1.840041 3.087274 ESP Fit Center 5998 is at -1.187608 -1.480562 3.087274 ESP Fit Center 5999 is at -2.417104 0.483339 2.898899 ESP Fit Center 6000 is at -2.832725 0.396972 2.898899 ESP Fit Center 6001 is at -3.209633 0.201675 2.898899 ESP Fit Center 6002 is at -3.519873 -0.088069 2.898899 ESP Fit Center 6003 is at -3.740436 -0.450770 2.898899 ESP Fit Center 6004 is at -3.854965 -0.859529 2.898899 ESP Fit Center 6005 is at -3.854965 -1.284029 2.898899 ESP Fit Center 6006 is at -3.740436 -1.692787 2.898899 ESP Fit Center 6007 is at -3.519873 -2.055488 2.898899 ESP Fit Center 6008 is at -3.209633 -2.345232 2.898899 ESP Fit Center 6009 is at -0.978903 -1.881681 2.898899 ESP Fit Center 6010 is at -0.809782 -1.492325 2.898899 ESP Fit Center 6011 is at -3.373206 0.495255 2.662774 ESP Fit Center 6012 is at -3.685232 0.230218 2.662774 ESP Fit Center 6013 is at -3.932988 -0.095699 2.662774 ESP Fit Center 6014 is at -4.104889 -0.467257 2.662774 ESP Fit Center 6015 is at -4.192897 -0.867081 2.662774 ESP Fit Center 6016 is at -4.192897 -1.276477 2.662774 ESP Fit Center 6017 is at -4.104889 -1.676301 2.662774 ESP Fit Center 6018 is at -3.932988 -2.047858 2.662774 ESP Fit Center 6019 is at -3.685232 -2.373775 2.662774 ESP Fit Center 6020 is at -3.373206 -2.638812 2.662774 ESP Fit Center 6021 is at -4.034159 0.283540 2.383300 ESP Fit Center 6022 is at -4.259510 -0.067114 2.383300 ESP Fit Center 6023 is at -4.414427 -0.454078 2.383300 ESP Fit Center 6024 is at -4.493311 -0.863368 2.383300 ESP Fit Center 6025 is at -4.493311 -1.280190 2.383300 ESP Fit Center 6026 is at -4.414427 -1.689480 2.383300 ESP Fit Center 6027 is at -4.259510 -2.076444 2.383300 ESP Fit Center 6028 is at -4.034159 -2.427097 2.383300 ESP Fit Center 6029 is at -3.746519 -2.728766 2.383300 ESP Fit Center 6030 is at -4.341334 0.300669 2.065681 ESP Fit Center 6031 is at -4.544070 -0.062246 2.065681 ESP Fit Center 6032 is at -4.682557 -0.454203 2.065681 ESP Fit Center 6033 is at -4.752811 -0.863927 2.065681 ESP Fit Center 6034 is at -4.752811 -1.279630 2.065681 ESP Fit Center 6035 is at -4.682557 -1.689354 2.065681 ESP Fit Center 6036 is at -4.544070 -2.081312 2.065681 ESP Fit Center 6037 is at -4.341334 -2.444226 2.065681 ESP Fit Center 6038 is at -4.080180 -2.767658 2.065681 ESP Fit Center 6039 is at -4.974387 -1.071779 1.715835 ESP Fit Center 6040 is at -4.941593 -1.488466 1.715835 ESP Fit Center 6041 is at -4.844018 -1.894894 1.715835 ESP Fit Center 6042 is at -4.684066 -2.281053 1.715835 ESP Fit Center 6043 is at -4.465674 -2.637436 1.715835 ESP Fit Center 6044 is at -5.069886 -1.686407 1.340279 ESP Fit Center 6045 is at -4.950992 -2.081593 1.340279 ESP Fit Center 6046 is at -4.775825 -2.455257 1.340279 ESP Fit Center 6047 is at -4.548120 -2.799434 1.340279 ESP Fit Center 6048 is at -5.070845 -2.076378 0.946008 ESP Fit Center 6049 is at -4.904171 -2.450735 0.946008 ESP Fit Center 6050 is at -4.687018 -2.798252 0.946008 ESP Fit Center 6051 is at -4.953399 -2.476910 0.540368 ESP Fit Center 6052 is at -4.732124 -2.831024 0.540368 ESP Fit Center 6053 is at 1.410927 -2.602546 3.460980 ESP Fit Center 6054 is at 1.711378 -2.902997 3.460980 ESP Fit Center 6055 is at 0.921802 -2.192122 3.284179 ESP Fit Center 6056 is at 0.994171 -2.602546 3.284179 ESP Fit Center 6057 is at 1.202549 -2.963467 3.284179 ESP Fit Center 6058 is at 1.521802 -3.231352 3.284179 ESP Fit Center 6059 is at 1.913424 -3.373891 3.284179 ESP Fit Center 6060 is at 2.330180 -3.373891 3.284179 ESP Fit Center 6061 is at 0.593481 -1.982059 3.044224 ESP Fit Center 6062 is at 0.593481 -2.402185 3.044224 ESP Fit Center 6063 is at 0.706829 -2.806731 3.044224 ESP Fit Center 6064 is at 0.925120 -3.165695 3.044224 ESP Fit Center 6065 is at 1.232163 -3.452453 3.044224 ESP Fit Center 6066 is at 1.605187 -3.645738 3.044224 ESP Fit Center 6067 is 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Fit Center 6141 is at 1.880256 -4.267550 -1.343565 ESP Fit Center 6142 is at 2.297012 -4.231089 -1.343565 ESP Fit Center 6143 is at 2.701104 -4.122812 -1.343565 ESP Fit Center 6144 is at -0.031887 -3.256803 -1.760321 ESP Fit Center 6145 is at 0.246903 -3.575904 -1.760321 ESP Fit Center 6146 is at 0.578190 -3.840096 -1.760321 ESP Fit Center 6147 is at 0.951326 -4.040889 -1.760321 ESP Fit Center 6148 is at 1.354319 -4.171830 -1.760321 ESP Fit Center 6149 is at 1.774216 -4.228709 -1.760321 ESP Fit Center 6150 is at 2.197521 -4.209698 -1.760321 ESP Fit Center 6151 is at 2.610630 -4.115409 -1.760321 ESP Fit Center 6152 is at 3.000263 -3.948872 -1.760321 ESP Fit Center 6153 is at -0.124301 -2.900971 -2.164414 ESP Fit Center 6154 is at 0.107500 -3.261661 -2.164414 ESP Fit Center 6155 is at 0.403373 -3.571964 -2.164414 ESP Fit Center 6156 is at 0.752625 -3.820664 -2.164414 ESP Fit Center 6157 is at 1.142632 -3.998775 -2.164414 ESP Fit Center 6158 is at 1.559299 -4.099857 -2.164414 ESP Fit Center 6159 is at 1.987566 -4.120258 -2.164414 ESP Fit Center 6160 is at 2.411954 -4.059240 -2.164414 ESP Fit Center 6161 is at 2.817126 -3.919009 -2.164414 ESP Fit Center 6162 is at -0.187541 -2.077824 -2.543565 ESP Fit Center 6163 is at -0.102885 -2.489765 -2.543565 ESP Fit Center 6164 is at 0.062961 -2.876231 -2.543565 ESP Fit Center 6165 is at 0.303207 -3.221402 -2.543565 ESP Fit Center 6166 is at 0.608018 -3.511147 -2.543565 ESP Fit Center 6167 is at 0.964914 -3.733602 -2.543565 ESP Fit Center 6168 is at 1.359284 -3.879661 -2.543565 ESP Fit Center 6169 is at 1.774984 -3.943343 -2.543565 ESP Fit Center 6170 is at 2.194993 -3.922043 -2.543565 ESP Fit Center 6171 is at 2.602116 -3.816631 -2.543565 ESP Fit Center 6172 is at 0.152625 -1.238744 -2.886256 ESP Fit Center 6173 is at 0.054181 -1.654112 -2.886256 ESP Fit Center 6174 is at 0.054181 -2.080988 -2.886256 ESP Fit Center 6175 is at 0.152625 -2.496356 -2.886256 ESP Fit Center 6176 is at 0.344206 -2.877826 -2.886256 ESP Fit Center 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is at -3.554185 -3.342746 -1.832953 ESP Fit Center 6232 is at -3.856505 1.550192 -2.209998 ESP Fit Center 6233 is at -4.238133 1.396841 -2.209998 ESP Fit Center 6234 is at -4.588356 1.181200 -2.209998 ESP Fit Center 6235 is at -4.897098 0.909473 -2.209998 ESP Fit Center 6236 is at -5.155476 0.589477 -2.209998 ESP Fit Center 6237 is at -5.493075 -0.157375 -2.209998 ESP Fit Center 6238 is at -5.562583 -0.562746 -2.209998 ESP Fit Center 6239 is at -5.562583 -0.974033 -2.209998 ESP Fit Center 6240 is at -5.493075 -1.379404 -2.209998 ESP Fit Center 6241 is at -5.356059 -1.767197 -2.209998 ESP Fit Center 6242 is at -5.155476 -2.126256 -2.209998 ESP Fit Center 6243 is at -4.897098 -2.446252 -2.209998 ESP Fit Center 6244 is at -4.588356 -2.717979 -2.209998 ESP Fit Center 6245 is at -4.238133 -2.933619 -2.209998 ESP Fit Center 6246 is at -3.856505 -3.086970 -2.209998 ESP Fit Center 6247 is at -3.454449 -3.173620 -2.209998 ESP Fit Center 6248 is at -3.043533 -3.191076 -2.209998 ESP Fit Center 6249 is at -3.042284 1.418259 -2.555769 ESP Fit Center 6250 is at -3.457993 1.398457 -2.555769 ESP Fit Center 6251 is at -3.862441 1.300339 -2.555769 ESP Fit Center 6252 is at -4.241011 1.127451 -2.555769 ESP Fit Center 6253 is at -4.580021 0.886043 -2.555769 ESP Fit Center 6254 is at -4.867218 0.584840 -2.555769 ESP Fit Center 6255 is at -5.092222 0.234727 -2.555769 ESP Fit Center 6256 is at -5.246900 -0.151641 -2.555769 ESP Fit Center 6257 is at -5.325663 -0.560299 -2.555769 ESP Fit Center 6258 is at -5.325663 -0.976479 -2.555769 ESP Fit Center 6259 is at -5.246900 -1.385138 -2.555769 ESP Fit Center 6260 is at -5.092222 -1.771506 -2.555769 ESP Fit Center 6261 is at -4.867218 -2.121618 -2.555769 ESP Fit Center 6262 is at -4.580021 -2.422822 -2.555769 ESP Fit Center 6263 is at -4.241011 -2.664230 -2.555769 ESP Fit Center 6264 is at -3.862441 -2.837117 -2.555769 ESP Fit Center 6265 is at -3.457993 -2.935235 -2.555769 ESP Fit Center 6266 is at -3.042284 -2.955038 -2.555769 ESP Fit Center 6267 is at -2.630341 -2.895809 -2.555769 ESP Fit Center 6268 is at -2.237050 -2.759690 -2.555769 ESP Fit Center 6269 is at -1.876628 -2.551600 -2.555769 ESP Fit Center 6270 is at -1.562101 -2.279061 -2.555769 ESP Fit Center 6271 is at -1.304835 -1.951921 -2.555769 ESP Fit Center 6272 is at -1.114131 -1.582006 -2.555769 ESP Fit Center 6273 is at -1.241964 -0.768389 -2.862543 ESP Fit Center 6274 is at -1.286489 -0.358982 -2.862543 ESP Fit Center 6275 is at -1.417985 0.031283 -2.862543 ESP Fit Center 6276 is at -1.630301 0.384155 -2.862543 ESP Fit Center 6277 is at -1.913511 0.683136 -2.862543 ESP Fit Center 6278 is at -2.254371 0.914245 -2.862543 ESP Fit Center 6279 is at -2.636944 1.066676 -2.862543 ESP Fit Center 6280 is at -3.043341 1.133301 -2.862543 ESP Fit Center 6281 is at -3.454558 1.111006 -2.862543 ESP Fit Center 6282 is at -3.851369 1.000832 -2.862543 ESP Fit Center 6283 is at -4.215219 0.807931 -2.862543 ESP Fit Center 6284 is at -4.529094 0.541323 -2.862543 ESP Fit Center 6285 is at -4.778318 0.213475 -2.862543 ESP Fit Center 6286 is at -4.951237 -0.160285 -2.862543 ESP Fit Center 6287 is at -5.039767 -0.562478 -2.862543 ESP Fit Center 6288 is at -5.039767 -0.974300 -2.862543 ESP Fit Center 6289 is at -4.951237 -1.376494 -2.862543 ESP Fit Center 6290 is at -4.778318 -1.750253 -2.862543 ESP Fit Center 6291 is at -4.529094 -2.078102 -2.862543 ESP Fit Center 6292 is at -4.215219 -2.344709 -2.862543 ESP Fit Center 6293 is at -3.851369 -2.537610 -2.862543 ESP Fit Center 6294 is at -3.454558 -2.647784 -2.862543 ESP Fit Center 6295 is at -3.043341 -2.670080 -2.862543 ESP Fit Center 6296 is at -2.636944 -2.603454 -2.862543 ESP Fit Center 6297 is at -2.254371 -2.451024 -2.862543 ESP Fit Center 6298 is at -1.913511 -2.219914 -2.862543 ESP Fit Center 6299 is at -1.630301 -1.920934 -2.862543 ESP Fit Center 6300 is at -1.417985 -1.568061 -2.862543 ESP Fit Center 6301 is at -1.286489 -1.177797 -2.862543 ESP Fit Center 6302 is at -1.569151 -0.768389 -3.123466 ESP Fit Center 6303 is at -1.622896 -0.360155 -3.123466 ESP Fit Center 6304 is at -1.780469 0.020259 -3.123466 ESP Fit Center 6305 is at -2.031130 0.346928 -3.123466 ESP Fit Center 6306 is at -2.357799 0.597589 -3.123466 ESP Fit Center 6307 is at -2.738213 0.755162 -3.123466 ESP Fit Center 6308 is at -3.146447 0.808907 -3.123466 ESP Fit Center 6309 is at -3.554681 0.755162 -3.123466 ESP Fit Center 6310 is at -3.935095 0.597589 -3.123466 ESP Fit Center 6311 is at -4.261764 0.346928 -3.123466 ESP Fit Center 6312 is at -4.512426 0.020259 -3.123466 ESP Fit Center 6313 is at -4.669998 -0.360155 -3.123466 ESP Fit Center 6314 is at -4.723743 -0.768389 -3.123466 ESP Fit Center 6315 is at -4.669998 -1.176624 -3.123466 ESP Fit Center 6316 is at -4.512426 -1.557037 -3.123466 ESP Fit Center 6317 is at -4.261764 -1.883706 -3.123466 ESP Fit Center 6318 is at -3.935095 -2.134368 -3.123466 ESP Fit Center 6319 is at -3.554681 -2.291940 -3.123466 ESP Fit Center 6320 is at -3.146447 -2.345685 -3.123466 ESP Fit Center 6321 is at -2.738213 -2.291940 -3.123466 ESP Fit Center 6322 is at -2.357799 -2.134368 -3.123466 ESP Fit Center 6323 is at -2.031130 -1.883706 -3.123466 ESP Fit Center 6324 is at -1.780469 -1.557037 -3.123466 ESP Fit Center 6325 is at -1.622896 -1.176624 -3.123466 ESP Fit Center 6326 is at -1.931573 -0.768389 -3.332710 ESP Fit Center 6327 is at -2.004839 -0.352878 -3.332710 ESP Fit Center 6328 is at -2.215799 0.012517 -3.332710 ESP Fit Center 6329 is at -2.539010 0.283723 -3.332710 ESP Fit Center 6330 is at -2.935486 0.428029 -3.332710 ESP Fit Center 6331 is at -3.357408 0.428029 -3.332710 ESP Fit Center 6332 is at -3.753884 0.283723 -3.332710 ESP Fit Center 6333 is at -4.077095 0.012517 -3.332710 ESP Fit Center 6334 is at -4.288056 -0.352878 -3.332710 ESP Fit Center 6335 is at -4.361322 -0.768389 -3.332710 ESP Fit Center 6336 is at -4.288056 -1.183901 -3.332710 ESP Fit Center 6337 is at -4.077095 -1.549296 -3.332710 ESP Fit Center 6338 is at -3.753884 -1.820501 -3.332710 ESP Fit Center 6339 is at -3.357408 -1.964807 -3.332710 ESP Fit Center 6340 is at -2.935486 -1.964807 -3.332710 ESP Fit Center 6341 is at -2.539010 -1.820501 -3.332710 ESP Fit Center 6342 is at -2.215799 -1.549296 -3.332710 ESP Fit Center 6343 is at -2.004839 -1.183901 -3.332710 ESP Fit Center 6344 is at -2.321133 -0.768389 -3.485602 ESP Fit Center 6345 is at -2.431704 -0.355732 -3.485602 ESP Fit Center 6346 is at -2.733790 -0.053646 -3.485602 ESP Fit Center 6347 is at -3.146447 0.056925 -3.485602 ESP Fit Center 6348 is at -3.559104 -0.053646 -3.485602 ESP Fit Center 6349 is at -3.861191 -0.355732 -3.485602 ESP Fit Center 6350 is at -3.971762 -0.768389 -3.485602 ESP Fit Center 6351 is at -3.861191 -1.181047 -3.485602 ESP Fit Center 6352 is at -3.559104 -1.483133 -3.485602 ESP Fit Center 6353 is at -3.146447 -1.593704 -3.485602 ESP Fit Center 6354 is at -2.733790 -1.483133 -3.485602 ESP Fit Center 6355 is at -2.431704 -1.181047 -3.485602 ESP Fit Center 6356 is at -2.729129 -0.768389 -3.578724 ESP Fit Center 6357 is at -2.937788 -0.406981 -3.578724 ESP Fit Center 6358 is at -3.355106 -0.406981 -3.578724 ESP Fit Center 6359 is at -3.563766 -0.768389 -3.578724 ESP Fit Center 6360 is at -3.355106 -1.129798 -3.578724 ESP Fit Center 6361 is at -2.937788 -1.129798 -3.578724 ESP Fit Center 6362 is at -3.146447 -0.768389 -3.609998 ESP Fit Center 6363 is at -1.912730 -2.347995 3.077891 ESP Fit Center 6364 is at -1.495412 -2.347995 3.046617 ESP Fit Center 6365 is at -2.121389 -2.709403 3.046617 ESP Fit Center 6366 is at -1.704071 -2.709403 3.046617 ESP Fit Center 6367 is at -1.087415 -2.347995 2.953495 ESP Fit Center 6368 is at -2.627473 -2.760652 2.953495 ESP Fit Center 6369 is at -2.325387 -3.062738 2.953495 ESP Fit Center 6370 is at -1.912730 -3.173309 2.953495 ESP Fit Center 6371 is at -1.500073 -3.062738 2.953495 ESP Fit Center 6372 is at -1.197987 -2.760652 2.953495 ESP Fit Center 6373 is at -0.697855 -2.347995 2.800604 ESP Fit Center 6374 is at -0.771121 -1.932483 2.800604 ESP Fit Center 6375 is at -3.054338 -2.763506 2.800604 ESP Fit Center 6376 is at -2.843378 -3.128901 2.800604 ESP Fit Center 6377 is at -2.520167 -3.400107 2.800604 ESP Fit Center 6378 is at -2.123691 -3.544412 2.800604 ESP Fit Center 6379 is at -1.701769 -3.544412 2.800604 ESP Fit Center 6380 is at -1.305293 -3.400107 2.800604 ESP Fit Center 6381 is at -0.982082 -3.128901 2.800604 ESP Fit Center 6382 is at -0.771121 -2.763506 2.800604 ESP Fit Center 6383 is at -0.335434 -2.347995 2.591359 ESP Fit Center 6384 is at -3.436281 -2.756229 2.591359 ESP Fit Center 6385 is at -3.278708 -3.136643 2.591359 ESP Fit Center 6386 is at -3.028047 -3.463311 2.591359 ESP Fit Center 6387 is at -2.701378 -3.713973 2.591359 ESP Fit Center 6388 is at -2.320964 -3.871546 2.591359 ESP Fit Center 6389 is at -1.912730 -3.925291 2.591359 ESP Fit Center 6390 is at -1.504496 -3.871546 2.591359 ESP Fit Center 6391 is at -1.124082 -3.713973 2.591359 ESP Fit Center 6392 is at -0.797413 -3.463311 2.591359 ESP Fit Center 6393 is at -0.546751 -3.136643 2.591359 ESP Fit Center 6394 is at -0.389179 -2.756229 2.591359 ESP Fit Center 6395 is at -3.717520 -2.956099 2.330436 ESP Fit Center 6396 is at -3.544600 -3.329859 2.330436 ESP Fit Center 6397 is at -3.295376 -3.657707 2.330436 ESP Fit Center 6398 is at -2.981501 -3.924315 2.330436 ESP Fit Center 6399 is at -2.617652 -4.117216 2.330436 ESP Fit Center 6400 is at -2.220841 -4.227390 2.330436 ESP Fit Center 6401 is at -1.809623 -4.249685 2.330436 ESP Fit Center 6402 is at -1.403227 -4.183060 2.330436 ESP Fit Center 6403 is at -1.020654 -4.030629 2.330436 ESP Fit Center 6404 is at -0.679793 -3.799520 2.330436 ESP Fit Center 6405 is at -0.396584 -3.500539 2.330436 ESP Fit Center 6406 is at -0.184267 -3.147667 2.330436 ESP Fit Center 6407 is at -0.052772 -2.757402 2.330436 ESP Fit Center 6408 is at -4.013183 -2.964743 2.023662 ESP Fit Center 6409 is at -3.858505 -3.351111 2.023662 ESP Fit Center 6410 is at -3.633501 -3.701224 2.023662 ESP Fit Center 6411 is at -3.346304 -4.002427 2.023662 ESP Fit Center 6412 is at -3.007294 -4.243835 2.023662 ESP Fit Center 6413 is at -2.628724 -4.416723 2.023662 ESP Fit Center 6414 is at -2.224275 -4.514841 2.023662 ESP Fit Center 6415 is at -1.808567 -4.534643 2.023662 ESP Fit Center 6416 is at -1.396623 -4.475415 2.023662 ESP Fit Center 6417 is at -1.003333 -4.339296 2.023662 ESP Fit Center 6418 is at -0.642911 -4.131206 2.023662 ESP Fit Center 6419 is at -0.328383 -3.858666 2.023662 ESP Fit Center 6420 is at -0.071118 -3.531527 2.023662 ESP Fit Center 6421 is at -4.259358 -2.959009 1.677891 ESP Fit Center 6422 is at -4.122342 -3.346802 1.677891 ESP Fit Center 6423 is at -3.921759 -3.705861 1.677891 ESP Fit Center 6424 is at -3.663380 -4.025857 1.677891 ESP Fit Center 6425 is at -3.354639 -4.297584 1.677891 ESP Fit Center 6426 is at -3.004416 -4.513225 1.677891 ESP Fit Center 6427 is at -2.622787 -4.666576 1.677891 ESP Fit Center 6428 is at -2.220732 -4.753225 1.677891 ESP Fit Center 6429 is at -1.809815 -4.770681 1.677891 ESP Fit Center 6430 is at -1.401860 -4.718440 1.677891 ESP Fit Center 6431 is at -1.008601 -4.598006 1.677891 ESP Fit Center 6432 is at -0.641352 -4.412843 1.677891 ESP Fit Center 6433 is at -0.310679 -4.168278 1.677891 ESP Fit Center 6434 is at -0.026093 -3.871347 1.677891 ESP Fit Center 6435 is at -4.391608 -3.153431 1.300846 ESP Fit Center 6436 is at -4.235091 -3.531297 1.300846 ESP Fit Center 6437 is at -4.021389 -3.880025 1.300846 ESP Fit Center 6438 is at -3.755766 -4.191031 1.300846 ESP Fit Center 6439 is at -3.444761 -4.456654 1.300846 ESP Fit Center 6440 is at -3.096032 -4.670355 1.300846 ESP Fit Center 6441 is at -2.718166 -4.826873 1.300846 ESP Fit Center 6442 is at -2.320468 -4.922351 1.300846 ESP Fit Center 6443 is at -1.912730 -4.954441 1.300846 ESP Fit Center 6444 is at -1.504992 -4.922351 1.300846 ESP Fit Center 6445 is at -1.107294 -4.826873 1.300846 ESP Fit Center 6446 is at -0.729428 -4.670355 1.300846 ESP Fit Center 6447 is at -0.380699 -4.456654 1.300846 ESP Fit Center 6448 is at -0.069694 -4.191031 1.300846 ESP Fit Center 6449 is at 0.195930 -3.880025 1.300846 ESP Fit Center 6450 is at -4.570722 -2.969989 0.900949 ESP Fit Center 6451 is at -4.444624 -3.368440 0.900949 ESP Fit Center 6452 is at -4.259181 -3.742973 0.900949 ESP Fit Center 6453 is at -4.018740 -4.084808 0.900949 ESP Fit Center 6454 is at -3.728935 -4.385934 0.900949 ESP Fit Center 6455 is at -3.396560 -4.639293 0.900949 ESP Fit Center 6456 is at -3.029405 -4.838945 0.900949 ESP Fit Center 6457 is at -2.636076 -4.980212 0.900949 ESP Fit Center 6458 is at -2.225792 -5.059782 0.900949 ESP Fit Center 6459 is at -1.808171 -5.075790 0.900949 ESP Fit Center 6460 is at -1.393001 -5.027860 0.900949 ESP Fit Center 6461 is at -0.990012 -4.917117 0.900949 ESP Fit Center 6462 is at -0.608651 -4.746156 0.900949 ESP Fit Center 6463 is at -0.257857 -4.518984 0.900949 ESP Fit Center 6464 is at 0.054149 -4.240925 0.900949 ESP Fit Center 6465 is at -4.580852 -3.171001 0.487135 ESP Fit Center 6466 is at -4.428389 -3.559472 0.487135 ESP Fit Center 6467 is at -4.219730 -3.920880 0.487135 ESP Fit Center 6468 is at -3.959536 -4.247153 0.487135 ESP Fit Center 6469 is at -3.653620 -4.531002 0.487135 ESP Fit Center 6470 is at -3.308815 -4.766085 0.487135 ESP Fit Center 6471 is at -2.932824 -4.947153 0.487135 ESP Fit Center 6472 is at -2.534046 -5.070160 0.487135 ESP Fit Center 6473 is at -2.121389 -5.132358 0.487135 ESP Fit Center 6474 is at -1.704071 -5.132358 0.487135 ESP Fit Center 6475 is at -1.291413 -5.070160 0.487135 ESP Fit Center 6476 is at -0.892635 -4.947153 0.487135 ESP Fit Center 6477 is at -0.516645 -4.766085 0.487135 ESP Fit Center 6478 is at -0.171840 -4.531002 0.487135 ESP Fit Center 6479 is at 0.134076 -4.247153 0.487135 ESP Fit Center 6480 is at -4.580852 -3.171001 0.068646 ESP Fit Center 6481 is at -4.428389 -3.559472 0.068646 ESP Fit Center 6482 is at -4.219730 -3.920880 0.068646 ESP Fit Center 6483 is at -3.959536 -4.247153 0.068646 ESP Fit Center 6484 is at -3.653620 -4.531002 0.068646 ESP Fit Center 6485 is at -3.308815 -4.766085 0.068646 ESP Fit Center 6486 is at -2.932824 -4.947153 0.068646 ESP Fit Center 6487 is at -2.534046 -5.070160 0.068646 ESP Fit Center 6488 is at -2.121389 -5.132358 0.068646 ESP Fit Center 6489 is at -1.704071 -5.132358 0.068646 ESP Fit Center 6490 is at -1.291413 -5.070160 0.068646 ESP Fit Center 6491 is at -0.892635 -4.947153 0.068646 ESP Fit Center 6492 is at -0.516645 -4.766085 0.068646 ESP Fit Center 6493 is at -0.171840 -4.531002 0.068646 ESP Fit Center 6494 is at 0.134076 -4.247153 0.068646 ESP Fit Center 6495 is at -4.444624 -3.368440 -0.345168 ESP Fit Center 6496 is at -4.259181 -3.742973 -0.345168 ESP Fit Center 6497 is at -4.018740 -4.084808 -0.345168 ESP Fit Center 6498 is at -3.728935 -4.385934 -0.345168 ESP Fit Center 6499 is at -3.396560 -4.639293 -0.345168 ESP Fit Center 6500 is at -3.029405 -4.838945 -0.345168 ESP Fit Center 6501 is at -2.636076 -4.980212 -0.345168 ESP Fit Center 6502 is at -2.225792 -5.059782 -0.345168 ESP Fit Center 6503 is at -1.808171 -5.075790 -0.345168 ESP Fit Center 6504 is at -1.393001 -5.027860 -0.345168 ESP Fit Center 6505 is at -0.990012 -4.917117 -0.345168 ESP Fit Center 6506 is at -0.608651 -4.746156 -0.345168 ESP Fit Center 6507 is at -0.257857 -4.518984 -0.345168 ESP Fit Center 6508 is at 0.054149 -4.240925 -0.345168 ESP Fit Center 6509 is at -4.235091 -3.531297 -0.745064 ESP Fit Center 6510 is at -4.021389 -3.880025 -0.745064 ESP Fit Center 6511 is at -3.755766 -4.191031 -0.745064 ESP Fit Center 6512 is at -3.444761 -4.456654 -0.745064 ESP Fit Center 6513 is at -3.096032 -4.670355 -0.745064 ESP Fit Center 6514 is at -2.718166 -4.826873 -0.745064 ESP Fit Center 6515 is at -2.320468 -4.922351 -0.745064 ESP Fit Center 6516 is at -1.912730 -4.954441 -0.745064 ESP Fit Center 6517 is at -1.504992 -4.922351 -0.745064 ESP Fit Center 6518 is at -1.107294 -4.826873 -0.745064 ESP Fit Center 6519 is at -0.729428 -4.670355 -0.745064 ESP Fit Center 6520 is at -0.380699 -4.456654 -0.745064 ESP Fit Center 6521 is at -0.069694 -4.191031 -0.745064 ESP Fit Center 6522 is at -3.921759 -3.705861 -1.122109 ESP Fit Center 6523 is at -3.663380 -4.025857 -1.122109 ESP Fit Center 6524 is at -3.354639 -4.297584 -1.122109 ESP Fit Center 6525 is at -3.004416 -4.513225 -1.122109 ESP Fit Center 6526 is at -2.622787 -4.666576 -1.122109 ESP Fit Center 6527 is at -2.220732 -4.753225 -1.122109 ESP Fit Center 6528 is at -1.809815 -4.770681 -1.122109 ESP Fit Center 6529 is at -1.401860 -4.718440 -1.122109 ESP Fit Center 6530 is at -1.008601 -4.598006 -1.122109 ESP Fit Center 6531 is at -0.641352 -4.412843 -1.122109 ESP Fit Center 6532 is at -0.310679 -4.168278 -1.122109 ESP Fit Center 6533 is at -0.026093 -3.871347 -1.122109 ESP Fit Center 6534 is at -3.633501 -3.701224 -1.467881 ESP Fit Center 6535 is at -3.346304 -4.002427 -1.467881 ESP Fit Center 6536 is at -3.007294 -4.243835 -1.467881 ESP Fit Center 6537 is at -2.628724 -4.416723 -1.467881 ESP Fit Center 6538 is at -2.224275 -4.514841 -1.467881 ESP Fit Center 6539 is at -1.808567 -4.534643 -1.467881 ESP Fit Center 6540 is at -1.396623 -4.475415 -1.467881 ESP Fit Center 6541 is at -1.003333 -4.339296 -1.467881 ESP Fit Center 6542 is at -0.642911 -4.131206 -1.467881 ESP Fit Center 6543 is at -0.328383 -3.858666 -1.467881 ESP Fit Center 6544 is at -0.071118 -3.531527 -1.467881 ESP Fit Center 6545 is at -3.295376 -3.657707 -1.774654 ESP Fit Center 6546 is at -2.981501 -3.924315 -1.774654 ESP Fit Center 6547 is at -2.617652 -4.117216 -1.774654 ESP Fit Center 6548 is at -2.220841 -4.227390 -1.774654 ESP Fit Center 6549 is at -1.809623 -4.249685 -1.774654 ESP Fit Center 6550 is at -1.403227 -4.183060 -1.774654 ESP Fit Center 6551 is at -1.020654 -4.030629 -1.774654 ESP Fit Center 6552 is at -0.679793 -3.799520 -1.774654 ESP Fit Center 6553 is at -0.396584 -3.500539 -1.774654 ESP Fit Center 6554 is at -0.184267 -3.147667 -1.774654 ESP Fit Center 6555 is at -3.028047 -3.463311 -2.035578 ESP Fit Center 6556 is at -2.701378 -3.713973 -2.035578 ESP Fit Center 6557 is at -2.320964 -3.871546 -2.035578 ESP Fit Center 6558 is at -1.912730 -3.925291 -2.035578 ESP Fit Center 6559 is at -1.504496 -3.871546 -2.035578 ESP Fit Center 6560 is at -1.124082 -3.713973 -2.035578 ESP Fit Center 6561 is at -0.797413 -3.463311 -2.035578 ESP Fit Center 6562 is at -0.546751 -3.136643 -2.035578 ESP Fit Center 6563 is at -0.389179 -2.756229 -2.035578 ESP Fit Center 6564 is at -2.520167 -3.400107 -2.244822 ESP Fit Center 6565 is at -2.123691 -3.544412 -2.244822 ESP Fit Center 6566 is at -1.701769 -3.544412 -2.244822 ESP Fit Center 6567 is at -1.305293 -3.400107 -2.244822 ESP Fit Center 6568 is at -0.982082 -3.128901 -2.244822 ESP Fit Center 6569 is at -0.771121 -2.763506 -2.244822 ESP Fit Center 6570 is at -1.087415 -2.347995 -2.397713 ESP Fit Center 6571 is at -2.325387 -3.062738 -2.397713 ESP Fit Center 6572 is at -1.912730 -3.173309 -2.397713 ESP Fit Center 6573 is at -1.500073 -3.062738 -2.397713 ESP Fit Center 6574 is at -1.197987 -2.760652 -2.397713 ESP Fit Center 6575 is at -1.495412 -2.347995 -2.490836 ESP Fit Center 6576 is at -1.704071 -2.709403 -2.490836 ESP Fit Center 6577 is at -4.840235 0.365013 1.672391 ESP Fit Center 6578 is at -5.048612 0.004092 1.672391 ESP Fit Center 6579 is at -5.120981 -0.406332 1.672391 ESP Fit Center 6580 is at -5.048612 -0.816757 1.672391 ESP Fit Center 6581 is at -4.810620 0.853999 1.432437 ESP Fit Center 6582 is at -5.117664 0.567241 1.432437 ESP Fit Center 6583 is at -5.335954 0.208277 1.432437 ESP Fit Center 6584 is at -5.449303 -0.196270 1.432437 ESP Fit Center 6585 is at -5.449303 -0.616395 1.432437 ESP Fit Center 6586 is at -5.335954 -1.020942 1.432437 ESP Fit Center 6587 is at -5.117664 -1.379906 1.432437 ESP Fit Center 6588 is at -5.182641 0.930949 1.136621 ESP Fit Center 6589 is at -5.457031 0.603943 1.136621 ESP Fit Center 6590 is at -5.648612 0.222474 1.136621 ESP Fit Center 6591 is at -5.747057 -0.192895 1.136621 ESP Fit Center 6592 is at -5.747057 -0.619770 1.136621 ESP Fit Center 6593 is at -5.648612 -1.035139 1.136621 ESP Fit Center 6594 is at -5.457031 -1.416608 1.136621 ESP Fit Center 6595 is at -5.182641 -1.743614 1.136621 ESP Fit Center 6596 is at -5.193220 1.237264 0.793930 ESP Fit Center 6597 is at -5.498030 0.947520 0.793930 ESP Fit Center 6598 is at -5.738277 0.602349 0.793930 ESP Fit Center 6599 is at -5.904123 0.215882 0.793930 ESP Fit Center 6600 is at -5.988778 -0.196058 0.793930 ESP Fit Center 6601 is at -5.988778 -0.616607 0.793930 ESP Fit Center 6602 is at -5.904123 -1.028547 0.793930 ESP Fit Center 6603 is at -5.738277 -1.415014 0.793930 ESP Fit Center 6604 is at -5.498030 -1.760185 0.793930 ESP Fit Center 6605 is at -5.193220 -2.049929 0.793930 ESP Fit Center 6606 is at -5.397864 1.298081 0.414779 ESP Fit Center 6607 is at -5.693737 0.987778 0.414779 ESP Fit Center 6608 is at -5.925538 0.627089 0.414779 ESP Fit Center 6609 is at -6.084890 0.229048 0.414779 ESP Fit Center 6610 is at -6.166032 -0.191956 0.414779 ESP Fit Center 6611 is at -6.166032 -0.620709 0.414779 ESP Fit Center 6612 is at -6.084890 -1.041713 0.414779 ESP Fit Center 6613 is at -5.925538 -1.439753 0.414779 ESP Fit Center 6614 is at -5.693737 -1.800443 0.414779 ESP Fit Center 6615 is at -5.397864 -2.110746 0.414779 ESP Fit Center 6616 is at -5.223048 1.566214 0.010686 ESP Fit Center 6617 is at -5.554335 1.302021 0.010686 ESP Fit Center 6618 is at -5.833124 0.982921 0.010686 ESP Fit Center 6619 is at -6.050456 0.619168 0.010686 ESP Fit Center 6620 is at -6.199345 0.222456 0.010686 ESP Fit Center 6621 is at -6.275005 -0.194467 0.010686 ESP Fit Center 6622 is at -6.275005 -0.618198 0.010686 ESP Fit Center 6623 is at -6.199345 -1.035121 0.010686 ESP Fit Center 6624 is at -6.050456 -1.431833 0.010686 ESP Fit Center 6625 is at -5.833124 -1.795586 0.010686 ESP Fit Center 6626 is at -5.554335 -2.114686 0.010686 ESP Fit Center 6627 is at -5.463672 1.432174 -0.406070 ESP Fit Center 6628 is at -5.759488 1.136358 -0.406070 ESP Fit Center 6629 is at -5.999442 0.793668 -0.406070 ESP Fit Center 6630 is at -6.176244 0.414516 -0.406070 ESP Fit Center 6631 is at -6.284520 0.010423 -0.406070 ESP Fit Center 6632 is at -6.320981 -0.406332 -0.406070 ESP Fit Center 6633 is at -6.284520 -0.823088 -0.406070 ESP Fit Center 6634 is at -6.176244 -1.227181 -0.406070 ESP Fit Center 6635 is at -5.999442 -1.606332 -0.406070 ESP Fit Center 6636 is at -5.759488 -1.949023 -0.406070 ESP Fit Center 6637 is at -5.223048 1.566214 -0.822825 ESP Fit Center 6638 is at -5.554335 1.302021 -0.822825 ESP Fit Center 6639 is at -5.833124 0.982921 -0.822825 ESP Fit Center 6640 is at -6.050456 0.619168 -0.822825 ESP Fit Center 6641 is at -6.199345 0.222456 -0.822825 ESP Fit Center 6642 is at -6.275005 -0.194467 -0.822825 ESP Fit Center 6643 is at -6.275005 -0.618198 -0.822825 ESP Fit Center 6644 is at -6.199345 -1.035121 -0.822825 ESP Fit Center 6645 is at -6.050456 -1.431833 -0.822825 ESP Fit Center 6646 is at -5.833124 -1.795586 -0.822825 ESP Fit Center 6647 is at -5.048612 1.546782 -1.226918 ESP Fit Center 6648 is at -5.397864 1.298081 -1.226918 ESP Fit Center 6649 is at -5.693737 0.987778 -1.226918 ESP Fit Center 6650 is at -5.925538 0.627089 -1.226918 ESP Fit Center 6651 is at -6.084890 0.229048 -1.226918 ESP Fit Center 6652 is at -6.166032 -0.191956 -1.226918 ESP Fit Center 6653 is at -6.166032 -0.620709 -1.226918 ESP Fit Center 6654 is at -6.084890 -1.041713 -1.226918 ESP Fit Center 6655 is at -5.925538 -1.439753 -1.226918 ESP Fit Center 6656 is at -4.836323 1.459719 -1.606070 ESP Fit Center 6657 is at -5.193220 1.237264 -1.606070 ESP Fit Center 6658 is at -5.498030 0.947520 -1.606070 ESP Fit Center 6659 is at -5.738277 0.602349 -1.606070 ESP Fit Center 6660 is at -5.904123 0.215882 -1.606070 ESP Fit Center 6661 is at -5.988778 -0.196058 -1.606070 ESP Fit Center 6662 is at -5.988778 -0.616607 -1.606070 ESP Fit Center 6663 is at -5.904123 -1.028547 -1.606070 ESP Fit Center 6664 is at -4.840235 1.185861 -1.948760 ESP Fit Center 6665 is at -5.182641 0.930949 -1.948760 ESP Fit Center 6666 is at -5.457031 0.603943 -1.948760 ESP Fit Center 6667 is at -5.648612 0.222474 -1.948760 ESP Fit Center 6668 is at -5.747057 -0.192895 -1.948760 ESP Fit Center 6669 is at -5.747057 -0.619770 -1.948760 Entering OneElI... OneElI was handed 2147355281 working-precision words. Calculate electrostatic properties NBasis = 226 MinDer = 0 MaxDer = 0 NGrid = 6669 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 22.46 SMaxX= 14.62 Shift= 7.409581 4.437067 2.538970 Box 1 Number 0 centers from 1 to 72: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.25D+01 RnKept= 1.17D+01 NSMCal= 2628 NSMKep= 1524 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 10163556 NTPThr= 100 NPartT= 12 Incr= 512 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs PRISM was handed 178794846 working-precision words and 1524 shell-pairs IPart= 7 NShTot= 806949 NBatch= 846 AvBLen= 953.8 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 826956 NBatch= 863 AvBLen= 958.2 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 846963 NBatch= 885 AvBLen= 957.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 987012 NBatch= 1067 AvBLen= 925.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 753597 NBatch= 775 AvBLen= 972.4 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 766935 NBatch= 801 AvBLen= 957.5 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 786942 NBatch= 829 AvBLen= 949.3 IPart= 9 NShTot= 786942 NBatch= 829 AvBLen= 949.3 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 866970 NBatch= 910 AvBLen= 952.7 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 886977 NBatch= 933 AvBLen= 950.7 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 886977 NBatch= 933 AvBLen= 950.7 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 960336 NBatch= 1036 AvBLen= 927.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 6647 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00216 RRMS= 0.01805: ESP charges: 1 1 C 0.727679 2 C -0.686490 3 O -0.778805 4 O -0.598730 5 C 0.674625 6 N -0.622081 7 C 0.851350 8 O -0.699484 9 N -0.559383 10 C 0.172844 11 C -0.025676 12 H 0.063329 13 H 0.157012 14 H 0.152356 15 H 0.347153 16 H 0.099819 17 N -0.175526 18 H 0.185141 19 H 0.471017 20 O -0.486118 21 O -0.644157 22 H 0.374126 Sum of ESP charges = -1.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.791008 2 C -0.191981 3 O -0.307788 4 O -0.598730 5 C 0.674625 6 N -0.274928 7 C 0.851350 8 O -0.699484 9 N -0.559383 10 C 0.272663 11 C -0.025676 17 N -0.175526 20 O -0.111993 21 O -0.644157 Charge= -1.00000 Dipole= 7.2346 3.1472 1.0858 Tot= 7.9639 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.724678 2 Atom -14.825612 3 Atom -22.400821 4 Atom -22.464694 5 Atom -14.720132 6 Atom -18.406490 7 Atom -14.673874 8 Atom -22.459041 9 Atom -18.397069 10 Atom -14.816277 11 Atom -14.850187 12 Atom -1.209862 13 Atom -1.203265 14 Atom -1.202974 15 Atom -1.108187 16 Atom -1.212081 17 Atom -18.443379 18 Atom -1.202588 19 Atom -1.082196 20 Atom -22.484967 21 Atom -22.620802 22 Atom -1.182619 23 Fit -0.092011 24 Fit -0.085462 25 Fit -0.121159 26 Fit -0.080238 27 Fit -0.077083 28 Fit -0.074302 29 Fit -0.079598 30 Fit -0.076754 31 Fit -0.074380 32 Fit -0.072637 33 Fit -0.071576 34 Fit -0.070924 35 Fit -0.095657 36 Fit -0.076026 37 Fit -0.074035 38 Fit -0.072145 39 Fit -0.070852 40 Fit -0.071362 41 Fit -0.100811 42 Fit -0.101665 43 Fit -0.074133 44 Fit -0.072356 45 Fit -0.074820 46 Fit -0.073172 47 Fit -0.074323 48 Fit -0.071937 49 Fit -0.072494 50 Fit -0.081014 51 Fit -0.093689 52 Fit -0.096200 53 Fit -0.085627 54 Fit -0.095348 55 Fit -0.101271 56 Fit -0.103673 57 Fit -0.103224 58 Fit -0.100632 59 Fit -0.105925 60 Fit -0.101291 61 Fit -0.088968 62 Fit -0.099264 63 Fit -0.106102 64 Fit -0.109789 65 Fit -0.110685 66 Fit -0.109232 67 Fit -0.113278 68 Fit -0.110209 69 Fit -0.106780 70 Fit -0.089803 71 Fit -0.100775 72 Fit -0.108518 73 Fit -0.113314 74 Fit -0.115432 75 Fit -0.115245 76 Fit -0.118627 77 Fit -0.117059 78 Fit -0.115338 79 Fit -0.114373 80 Fit -0.115021 81 Fit -0.117692 82 Fit -0.121355 83 Fit -0.123406 84 Fit -0.122646 85 Fit -0.088474 86 Fit -0.100066 87 Fit -0.108732 88 Fit -0.114659 89 Fit -0.118038 90 Fit -0.119190 91 Fit -0.122184 92 Fit -0.122041 93 Fit -0.121779 94 Fit -0.122299 95 Fit -0.124116 96 Fit -0.126860 97 Fit -0.129143 98 Fit -0.129780 99 Fit -0.129249 100 Fit -0.128297 101 Fit -0.125724 102 Fit -0.119567 103 Fit -0.095451 104 Fit -0.105738 105 Fit -0.113415 106 Fit -0.118514 107 Fit -0.121267 108 Fit -0.124152 109 Fit -0.125403 110 Fit -0.126424 111 Fit -0.127916 112 Fit -0.129992 113 Fit -0.131969 114 Fit -0.132865 115 Fit -0.132254 116 Fit -0.130024 117 Fit -0.125409 118 Fit -0.117221 119 Fit -0.092103 120 Fit -0.102520 121 Fit -0.111160 122 Fit -0.117589 123 Fit -0.121791 124 Fit -0.124742 125 Fit -0.127354 126 Fit -0.129467 127 Fit -0.131498 128 Fit -0.132947 129 Fit -0.132806 130 Fit -0.130271 131 Fit -0.124604 132 Fit -0.115185 133 Fit -0.097220 134 Fit -0.106449 135 Fit -0.114621 136 Fit -0.120727 137 Fit -0.124161 138 Fit -0.127855 139 Fit -0.130261 140 Fit -0.131024 141 Fit -0.128910 142 Fit -0.122906 143 Fit -0.113407 144 Fit -0.103983 145 Fit -0.100236 146 Fit -0.103817 147 Fit -0.111241 148 Fit -0.118631 149 Fit -0.122596 150 Fit -0.126553 151 Fit -0.124922 152 Fit -0.117111 153 Fit -0.111409 154 Fit -0.115457 155 Fit -0.120206 156 Fit -0.141427 157 Fit -0.133408 158 Fit -0.136645 159 Fit -0.142450 160 Fit -0.147250 161 Fit -0.147600 162 Fit -0.139379 163 Fit -0.126937 164 Fit -0.132751 165 Fit -0.138324 166 Fit -0.142939 167 Fit -0.147078 168 Fit -0.151281 169 Fit -0.154943 170 Fit -0.155500 171 Fit -0.148784 172 Fit -0.123358 173 Fit -0.130090 174 Fit -0.136128 175 Fit -0.140737 176 Fit -0.144309 177 Fit -0.147725 178 Fit -0.151619 179 Fit -0.156124 180 Fit -0.160942 181 Fit -0.164817 182 Fit -0.163591 183 Fit -0.118992 184 Fit -0.126839 185 Fit -0.133817 186 Fit -0.138891 187 Fit -0.142373 188 Fit -0.145096 189 Fit -0.147849 190 Fit -0.151114 191 Fit -0.155040 192 Fit -0.159658 193 Fit -0.165230 194 Fit -0.172047 195 Fit -0.177929 196 Fit -0.115073 197 Fit -0.126042 198 Fit -0.134142 199 Fit -0.139342 200 Fit -0.142593 201 Fit -0.144954 202 Fit -0.147269 203 Fit -0.150032 204 Fit -0.153368 205 Fit -0.157176 206 Fit -0.161521 207 Fit -0.167391 208 Fit -0.177011 209 Fit -0.112257 210 Fit -0.126023 211 Fit -0.134648 212 Fit -0.139751 213 Fit -0.142772 214 Fit -0.144846 215 Fit -0.146786 216 Fit -0.149054 217 Fit -0.151754 218 Fit -0.154660 219 Fit -0.157362 220 Fit -0.159754 221 Fit -0.163353 222 Fit -0.119648 223 Fit -0.131558 224 Fit -0.138242 225 Fit -0.141977 226 Fit -0.144250 227 Fit -0.146062 228 Fit -0.148016 229 Fit -0.150319 230 Fit -0.152749 231 Fit -0.154625 232 Fit -0.154821 233 Fit -0.117243 234 Fit -0.130579 235 Fit -0.137870 236 Fit -0.141896 237 Fit -0.144309 238 Fit -0.146177 239 Fit -0.148120 240 Fit -0.150324 241 Fit -0.152481 242 Fit -0.153642 243 Fit -0.151873 244 Fit -0.121055 245 Fit -0.132566 246 Fit -0.139015 247 Fit -0.142707 248 Fit -0.145107 249 Fit -0.147156 250 Fit -0.149340 251 Fit -0.151669 252 Fit -0.153577 253 Fit -0.153685 254 Fit -0.118161 255 Fit -0.130688 256 Fit -0.138101 257 Fit -0.142488 258 Fit -0.145418 259 Fit -0.147957 260 Fit -0.150650 261 Fit -0.153503 262 Fit -0.155992 263 Fit -0.118377 264 Fit -0.129597 265 Fit -0.137290 266 Fit -0.142267 267 Fit -0.145819 268 Fit -0.149012 269 Fit -0.152482 270 Fit -0.156497 271 Fit -0.161521 272 Fit -0.124211 273 Fit -0.133274 274 Fit -0.140125 275 Fit -0.145113 276 Fit -0.149496 277 Fit -0.154389 278 Fit -0.160851 279 Fit -0.170979 280 Fit -0.128933 281 Fit -0.136951 282 Fit -0.143641 283 Fit -0.149501 284 Fit -0.155979 285 Fit -0.164023 286 Fit -0.169974 287 Fit -0.135057 288 Fit -0.143563 289 Fit -0.151357 290 Fit -0.154004 291 Fit -0.142869 292 Fit -0.115557 293 Fit -0.107754 294 Fit -0.110142 295 Fit -0.120285 296 Fit -0.126848 297 Fit -0.123949 298 Fit -0.115014 299 Fit -0.102861 300 Fit -0.103695 301 Fit -0.107474 302 Fit -0.116183 303 Fit -0.139690 304 Fit -0.135612 305 Fit -0.108112 306 Fit -0.115069 307 Fit -0.155207 308 Fit -0.102518 309 Fit -0.120116 310 Fit -0.165394 311 Fit -0.114677 312 Fit -0.122766 313 Fit -0.133334 314 Fit -0.143302 315 Fit -0.151729 316 Fit -0.151049 317 Fit -0.114923 318 Fit -0.114842 319 Fit -0.114540 320 Fit -0.120284 321 Fit -0.129937 322 Fit -0.132261 323 Fit -0.122643 324 Fit -0.120448 325 Fit -0.102890 326 Fit -0.099933 327 Fit -0.101611 328 Fit -0.103832 329 Fit -0.104688 330 Fit -0.102495 331 Fit -0.100388 332 Fit -0.095493 333 Fit -0.098515 334 Fit -0.099108 335 Fit -0.099628 336 Fit -0.103090 337 Fit -0.107436 338 Fit -0.099716 339 Fit -0.096693 340 Fit -0.098255 341 Fit -0.095380 342 Fit -0.093327 343 Fit -0.095856 344 Fit -0.103531 345 Fit -0.098318 346 Fit -0.098135 347 Fit -0.090080 348 Fit -0.105852 349 Fit -0.105463 350 Fit -0.109060 351 Fit -0.099036 352 Fit -0.110417 353 Fit -0.107331 354 Fit -0.100524 355 Fit -0.095548 356 Fit -0.096120 357 Fit -0.101890 358 Fit -0.109255 359 Fit -0.113728 360 Fit -0.112247 361 Fit -0.106800 362 Fit -0.105628 363 Fit -0.104383 364 Fit -0.103001 365 Fit -0.105434 366 Fit -0.110136 367 Fit -0.113150 368 Fit -0.113688 369 Fit -0.112950 370 Fit -0.109338 371 Fit -0.106446 372 Fit -0.107268 373 Fit -0.108983 374 Fit -0.112085 375 Fit -0.111862 376 Fit -0.107954 377 Fit -0.109899 378 Fit -0.090689 379 Fit -0.091932 380 Fit -0.093275 381 Fit -0.092573 382 Fit -0.092232 383 Fit -0.092105 384 Fit -0.091451 385 Fit -0.095951 386 Fit -0.100909 387 Fit -0.100695 388 Fit -0.097043 389 Fit -0.094117 390 Fit -0.092004 391 Fit -0.102773 392 Fit -0.103862 393 Fit -0.092994 394 Fit -0.095265 395 Fit -0.108906 396 Fit -0.104653 397 Fit -0.119498 398 Fit -0.119742 399 Fit -0.111963 400 Fit -0.105270 401 Fit -0.103519 402 Fit -0.102856 403 Fit -0.105241 404 Fit -0.109306 405 Fit -0.111785 406 Fit -0.113904 407 Fit -0.110691 408 Fit -0.110217 409 Fit -0.104253 410 Fit -0.101923 411 Fit -0.103193 412 Fit -0.106835 413 Fit -0.104444 414 Fit -0.113484 415 Fit -0.118752 416 Fit -0.120651 417 Fit -0.115539 418 Fit -0.110964 419 Fit -0.122426 420 Fit -0.125368 421 Fit -0.125587 422 Fit -0.122909 423 Fit -0.116836 424 Fit -0.107705 425 Fit -0.116356 426 Fit -0.124947 427 Fit -0.127869 428 Fit -0.129029 429 Fit -0.128756 430 Fit -0.126607 431 Fit -0.121726 432 Fit -0.113903 433 Fit -0.110987 434 Fit -0.119452 435 Fit -0.126625 436 Fit -0.129364 437 Fit -0.130692 438 Fit -0.131190 439 Fit -0.130872 440 Fit -0.129199 441 Fit -0.125227 442 Fit -0.118009 443 Fit -0.107604 444 Fit -0.113115 445 Fit -0.121507 446 Fit -0.127713 447 Fit -0.130439 448 Fit -0.131719 449 Fit -0.132340 450 Fit -0.132524 451 Fit -0.131953 452 Fit -0.129814 453 Fit -0.124853 454 Fit -0.115480 455 Fit -0.122171 456 Fit -0.128512 457 Fit -0.131203 458 Fit -0.132388 459 Fit -0.132981 460 Fit -0.133342 461 Fit -0.133370 462 Fit -0.132541 463 Fit -0.129907 464 Fit -0.124020 465 Fit -0.112635 466 Fit -0.122563 467 Fit -0.129379 468 Fit -0.132021 469 Fit -0.133069 470 Fit -0.133560 471 Fit -0.133916 472 Fit -0.134090 473 Fit -0.133625 474 Fit -0.131647 475 Fit -0.126781 476 Fit -0.116790 477 Fit -0.122928 478 Fit -0.130602 479 Fit -0.132976 480 Fit -0.133829 481 Fit -0.134194 482 Fit -0.134483 483 Fit -0.134647 484 Fit -0.134232 485 Fit -0.132386 486 Fit -0.127793 487 Fit -0.118393 488 Fit -0.124446 489 Fit -0.132218 490 Fit -0.134086 491 Fit -0.134690 492 Fit -0.134915 493 Fit -0.135093 494 Fit -0.135112 495 Fit -0.134464 496 Fit -0.132271 497 Fit -0.127275 498 Fit -0.117768 499 Fit -0.127277 500 Fit -0.133958 501 Fit -0.135239 502 Fit -0.135563 503 Fit -0.135629 504 Fit -0.135603 505 Fit -0.135159 506 Fit -0.133543 507 Fit -0.129687 508 Fit -0.122436 509 Fit -0.111238 510 Fit -0.130414 511 Fit -0.135374 512 Fit -0.136112 513 Fit -0.136192 514 Fit -0.136044 515 Fit -0.135608 516 Fit -0.134350 517 Fit -0.131426 518 Fit -0.126075 519 Fit -0.118401 520 Fit -0.129032 521 Fit -0.133221 522 Fit -0.136003 523 Fit -0.136406 524 Fit -0.136192 525 Fit -0.135492 526 Fit -0.133790 527 Fit -0.130243 528 Fit -0.124518 529 Fit -0.117542 530 Fit -0.126386 531 Fit -0.131328 532 Fit -0.134439 533 Fit -0.135444 534 Fit -0.135676 535 Fit -0.134831 536 Fit -0.132569 537 Fit -0.128212 538 Fit -0.122035 539 Fit -0.122384 540 Fit -0.129571 541 Fit -0.133678 542 Fit -0.133358 543 Fit -0.132943 544 Fit -0.128994 545 Fit -0.123419 546 Fit -0.123504 547 Fit -0.129747 548 Fit -0.129442 549 Fit -0.100831 550 Fit -0.096700 551 Fit -0.100536 552 Fit -0.106291 553 Fit -0.105345 554 Fit -0.093252 555 Fit -0.093407 556 Fit -0.096212 557 Fit -0.102763 558 Fit -0.091174 559 Fit -0.097600 560 Fit -0.090654 561 Fit -0.121073 562 Fit -0.109244 563 Fit -0.117170 564 Fit -0.120079 565 Fit -0.116947 566 Fit -0.117376 567 Fit -0.113041 568 Fit -0.117740 569 Fit -0.122387 570 Fit -0.122260 571 Fit -0.127374 572 Fit -0.116905 573 Fit -0.118805 574 Fit -0.128433 575 Fit -0.139332 576 Fit -0.137403 577 Fit -0.124460 578 Fit -0.108192 579 Fit -0.109830 580 Fit -0.111672 581 Fit -0.116022 582 Fit -0.155876 583 Fit -0.149901 584 Fit -0.134942 585 Fit -0.120033 586 Fit -0.110902 587 Fit -0.105049 588 Fit -0.172052 589 Fit -0.155093 590 Fit -0.133295 591 Fit -0.115498 592 Fit -0.192353 593 Fit -0.171156 594 Fit -0.114752 595 Fit -0.174148 596 Fit -0.164165 597 Fit -0.142326 598 Fit -0.113250 599 Fit -0.120069 600 Fit -0.130496 601 Fit -0.155926 602 Fit -0.144004 603 Fit -0.123158 604 Fit -0.118358 605 Fit -0.122924 606 Fit -0.131535 607 Fit -0.140947 608 Fit -0.134501 609 Fit -0.119183 610 Fit -0.127883 611 Fit -0.143499 612 Fit -0.137490 613 Fit -0.130708 614 Fit -0.137439 615 Fit -0.152758 616 Fit -0.158217 617 Fit -0.149599 618 Fit -0.123236 619 Fit -0.117980 620 Fit -0.148920 621 Fit -0.155436 622 Fit -0.108457 623 Fit -0.110931 624 Fit -0.182709 625 Fit -0.128868 626 Fit -0.125150 627 Fit -0.175970 628 Fit -0.146235 629 Fit -0.140823 630 Fit -0.152123 631 Fit -0.172997 632 Fit -0.159470 633 Fit -0.156519 634 Fit -0.080508 635 Fit -0.080067 636 Fit -0.089321 637 Fit -0.097930 638 Fit -0.073398 639 Fit -0.078214 640 Fit -0.086983 641 Fit -0.100682 642 Fit -0.072793 643 Fit -0.076875 644 Fit -0.084483 645 Fit -0.097314 646 Fit -0.117593 647 Fit -0.070653 648 Fit -0.073338 649 Fit -0.076723 650 Fit -0.083227 651 Fit -0.094391 652 Fit -0.112774 653 Fit -0.071877 654 Fit -0.075477 655 Fit -0.078248 656 Fit -0.084163 657 Fit -0.094623 658 Fit -0.112077 659 Fit -0.075491 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