Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/rgalindo/g16/l1.exe "/home/rgalindo/tmp/Gau-1200057.inp" -scrdir="/home/rgalindo/tmp/" Entering Link 1 = /home/rgalindo/g16/l1.exe PID= 1200059. 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/CEP-31G SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt #Pop=Rea dRadii ---------------------------------------------------------------------- 1/18=20,19=15,38=1/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=9,6=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=101,28=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=9,6=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=101,28=1,33=2,42=6/1,2; 99/9=1/99; --------------------- remark line goes here --------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 6.958 -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 I 4.24 -6.714 2.339 H 2.49 -4.376 1.321 H 6.863 -5.625 4.087 H 7.467 -6.998 2.092 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) 2.0998 estimate D2E/DX2 ! ! R19 R(11,17) 1.0304 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) 119.4523 estimate D2E/DX2 ! ! A28 A(11,10,16) 119.4978 estimate D2E/DX2 ! ! A29 A(5,11,10) 121.1475 estimate D2E/DX2 ! ! A30 A(5,11,17) 115.4972 estimate D2E/DX2 ! ! A31 A(10,11,17) 123.3543 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) 0.4298 estimate D2E/DX2 ! ! D25 D(6,5,11,10) -0.4719 estimate D2E/DX2 ! ! D26 D(6,5,11,17) 179.8729 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) -0.1872 estimate D2E/DX2 ! ! D37 D(7,9,10,11) 0.2834 estimate D2E/DX2 ! ! D38 D(7,9,10,16) -179.6899 estimate D2E/DX2 ! ! D39 D(9,10,11,5) 0.2159 estimate D2E/DX2 ! ! D40 D(9,10,11,17) 179.8434 estimate D2E/DX2 ! ! D41 D(16,10,11,5) -179.8107 estimate D2E/DX2 ! ! D42 D(16,10,11,17) -0.1833 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= 102 maximum allowed number of steps= 114. 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 53 0 4.240000 -6.714000 2.339000 17 1 0 2.490000 -4.376000 1.321000 18 1 0 6.863000 -5.625000 4.087000 19 1 0 7.467000 -6.998000 2.092000 --------------------------------------------------------------------- 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 I 3.207687 3.811252 2.458981 5.378269 4.372878 17 H 4.573500 5.351723 4.643654 2.610481 2.105855 18 H 2.131895 1.089614 2.370926 6.654198 5.478435 19 H 2.026649 2.570780 1.050094 7.162821 5.943642 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 I 4.793012 4.329033 5.287551 3.021425 2.099793 17 H 3.282385 3.822636 5.039189 3.312261 2.089311 18 H 5.107577 4.028753 4.326441 3.037270 3.481886 19 H 5.567262 4.395112 4.644728 3.282491 3.737059 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 I 2.993759 4.140762 4.736286 4.281868 5.823033 17 H 1.030418 5.313816 6.406605 5.258311 4.135073 18 H 4.685880 2.983539 1.764144 1.764478 5.933815 19 H 5.059228 2.327906 2.757277 3.624585 6.425346 16 17 18 19 16 I 0.000000 17 H 3.092744 0.000000 18 H 3.334899 5.322958 0.000000 19 H 3.248876 5.678015 2.495991 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 0.089697 1.965737 -0.241619 2 6 0 0.383024 2.642158 1.092769 3 8 0 1.329884 1.552121 -0.790216 4 8 0 -3.278924 -2.386600 0.154038 5 6 0 -2.479338 -1.448970 0.066154 6 7 0 -2.927815 -0.151012 -0.053801 7 6 0 -2.144955 0.987432 -0.155615 8 8 0 -2.639229 2.094109 -0.263070 9 7 0 -0.794817 0.770832 -0.135357 10 6 0 -0.255669 -0.485833 -0.012826 11 6 0 -1.038413 -1.565403 0.087596 12 1 0 -0.364435 2.659623 -0.948168 13 1 0 0.494904 3.721821 0.996590 14 1 0 -0.396276 2.459553 1.832485 15 1 0 -3.948643 -0.013832 -0.069508 16 53 0 1.831306 -0.715415 0.018140 17 1 0 -0.672189 -2.524240 0.178549 18 1 0 1.318247 2.238131 1.479265 19 1 0 1.947678 2.389450 -0.931313 --------------------------------------------------------------------- Rotational constants (GHZ): 0.9217920 0.4745281 0.3277179 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 383.4236816900 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2626. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 5.63D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.343675053 A.U. after 17 cycles NFock= 17 Conv=0.28D-08 -V/T= 2.3560 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -1.48775 -1.44081 -1.42701 -1.34780 -1.27779 Alpha occ. eigenvalues -- -1.12979 -1.05898 -0.98346 -0.94533 -0.89481 Alpha occ. eigenvalues -- -0.88006 -0.80288 -0.78012 -0.72430 -0.71284 Alpha occ. eigenvalues -- -0.68019 -0.66302 -0.66140 -0.63926 -0.61722 Alpha occ. eigenvalues -- -0.59813 -0.58904 -0.56750 -0.55120 -0.54732 Alpha occ. eigenvalues -- -0.53766 -0.50230 -0.47617 -0.44449 -0.43237 Alpha occ. eigenvalues -- -0.40126 -0.35586 -0.34114 Alpha virt. eigenvalues -- 0.07203 0.08019 0.14526 0.16452 0.20332 Alpha virt. eigenvalues -- 0.22954 0.25535 0.26282 0.26856 0.27681 Alpha virt. eigenvalues -- 0.28041 0.29134 0.29984 0.30965 0.32046 Alpha virt. eigenvalues -- 0.33706 0.36005 0.36278 0.37364 0.38556 Alpha virt. eigenvalues -- 0.40044 0.42314 0.42781 0.44987 0.45881 Alpha virt. eigenvalues -- 0.47674 0.48898 0.50794 0.53730 0.54717 Alpha virt. eigenvalues -- 0.55663 0.56726 0.57501 0.61834 0.63457 Alpha virt. eigenvalues -- 0.65073 0.66911 0.68371 0.70589 0.75210 Alpha virt. eigenvalues -- 0.79574 0.80110 0.81850 0.88673 0.88849 Alpha virt. eigenvalues -- 0.90614 0.92241 0.94352 0.98141 0.98932 Alpha virt. eigenvalues -- 1.01828 1.02496 1.04791 1.06352 1.10461 Alpha virt. eigenvalues -- 1.11534 1.15291 1.22897 1.27034 1.39335 Alpha virt. eigenvalues -- 1.41728 1.45894 1.48692 1.51256 1.54738 Alpha virt. eigenvalues -- 2.06990 2.73518 3.03447 3.22713 4.03127 Alpha virt. eigenvalues -- 4.20049 4.50047 5.26879 5.72643 5.83699 Alpha virt. eigenvalues -- 6.30306 8.48623 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 2.997661 0.315216 0.231439 -0.000012 0.004454 -0.010865 2 C 0.315216 2.999715 -0.085572 -0.000001 -0.000337 -0.000234 3 O 0.231439 -0.085572 6.648216 -0.000000 0.000173 -0.000167 4 O -0.000012 -0.000001 -0.000000 5.860336 0.551598 -0.110839 5 C 0.004454 -0.000337 0.000173 0.551598 3.114388 0.182926 6 N -0.010865 -0.000234 -0.000167 -0.110839 0.182926 5.000555 7 C -0.011362 -0.003667 0.001097 0.002347 0.019794 0.255136 8 O -0.000337 -0.000238 0.000302 -0.000092 0.000307 -0.120144 9 N 0.051080 -0.035988 -0.068847 -0.000335 0.013781 -0.178550 10 C -0.034680 -0.013953 -0.054494 0.011879 0.206355 0.094380 11 C -0.011610 -0.001608 -0.005108 -0.064394 0.049830 -0.162850 12 H 0.438171 -0.057930 -0.064828 -0.000000 0.000107 0.000243 13 H -0.016711 0.384594 0.001391 0.000000 -0.000003 0.000003 14 H -0.018839 0.377392 0.004824 -0.000000 0.000122 -0.000118 15 H -0.000022 -0.000006 0.000000 0.002462 -0.012667 0.315459 16 I -0.004591 -0.013539 -0.286214 -0.000033 0.010017 0.000196 17 H -0.000144 0.000030 0.000006 -0.004235 -0.035298 0.002136 18 H -0.028913 0.397844 -0.004290 0.000000 0.000022 0.000004 19 H -0.027905 0.005330 0.258590 0.000000 -0.000005 0.000004 7 8 9 10 11 12 1 C -0.011362 -0.000337 0.051080 -0.034680 -0.011610 0.438171 2 C -0.003667 -0.000238 -0.035988 -0.013953 -0.001608 -0.057930 3 O 0.001097 0.000302 -0.068847 -0.054494 -0.005108 -0.064828 4 O 0.002347 -0.000092 -0.000335 0.011879 -0.064394 -0.000000 5 C 0.019794 0.000307 0.013781 0.206355 0.049830 0.000107 6 N 0.255136 -0.120144 -0.178550 0.094380 -0.162850 0.000243 7 C 2.874088 0.573076 0.339791 -0.011087 0.012545 -0.006158 8 O 0.573076 5.905528 -0.104549 0.005545 -0.002021 -0.000453 9 N 0.339791 -0.104549 5.159950 -0.004670 -0.112956 -0.044098 10 C -0.011087 0.005545 -0.004670 4.156825 0.111045 0.003450 11 C 0.012545 -0.002021 -0.112956 0.111045 3.996551 -0.000383 12 H -0.006158 -0.000453 -0.044098 0.003450 -0.000383 0.517430 13 H 0.000556 -0.000197 0.004780 0.000263 0.000032 -0.003602 14 H 0.002418 -0.001223 -0.004725 0.002793 0.000018 0.001019 15 H -0.018045 -0.004434 0.000820 0.000155 0.002838 -0.000003 16 I -0.001554 0.000038 -0.012216 0.149955 -0.134568 -0.002170 17 H 0.000501 0.000002 0.004448 -0.035273 0.329638 0.000000 18 H -0.000079 0.000044 -0.001259 0.002182 0.000042 0.003256 19 H 0.000127 0.000008 0.005458 0.002544 0.000089 -0.001830 13 14 15 16 17 18 1 C -0.016711 -0.018839 -0.000022 -0.004591 -0.000144 -0.028913 2 C 0.384594 0.377392 -0.000006 -0.013539 0.000030 0.397844 3 O 0.001391 0.004824 0.000000 -0.286214 0.000006 -0.004290 4 O 0.000000 -0.000000 0.002462 -0.000033 -0.004235 0.000000 5 C -0.000003 0.000122 -0.012667 0.010017 -0.035298 0.000022 6 N 0.000003 -0.000118 0.315459 0.000196 0.002136 0.000004 7 C 0.000556 0.002418 -0.018045 -0.001554 0.000501 -0.000079 8 O -0.000197 -0.001223 -0.004434 0.000038 0.000002 0.000044 9 N 0.004780 -0.004725 0.000820 -0.012216 0.004448 -0.001259 10 C 0.000263 0.002793 0.000155 0.149955 -0.035273 0.002182 11 C 0.000032 0.000018 0.002838 -0.134568 0.329638 0.000042 12 H -0.003602 0.001019 -0.000003 -0.002170 0.000000 0.003256 13 H 0.529505 -0.010580 0.000000 0.000427 -0.000000 -0.022862 14 H -0.010580 0.513596 0.000000 0.000233 -0.000000 -0.016835 15 H 0.000000 0.000000 0.259287 0.000003 -0.000050 -0.000000 16 I 0.000427 0.000233 0.000003 6.925097 -0.000566 -0.002455 17 H -0.000000 -0.000000 -0.000050 -0.000566 0.386722 -0.000001 18 H -0.022862 -0.016835 -0.000000 -0.002455 -0.000001 0.547977 19 H -0.000359 0.000069 0.000000 0.015380 0.000000 -0.000759 19 1 C -0.027905 2 C 0.005330 3 O 0.258590 4 O 0.000000 5 C -0.000005 6 N 0.000004 7 C 0.000127 8 O 0.000008 9 N 0.005458 10 C 0.002544 11 C 0.000089 12 H -0.001830 13 H -0.000359 14 H 0.000069 15 H 0.000000 16 I 0.015380 17 H 0.000000 18 H -0.000759 19 H 0.302498 Mulliken charges: 1 1 C 0.127970 2 C -0.267049 3 O -0.576521 4 O -0.248681 5 C -0.105565 6 N -0.267276 7 C -0.029526 8 O -0.251162 9 N -0.011917 10 C -0.593213 11 C -0.007130 12 H 0.217778 13 H 0.132763 14 H 0.149837 15 H 0.454203 16 I 0.356559 17 H 0.352084 18 H 0.126083 19 H 0.440762 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.345748 2 C 0.141633 3 O -0.135759 4 O -0.248681 5 C -0.105565 6 N 0.186927 7 C -0.029526 8 O -0.251162 9 N -0.011917 10 C -0.593213 11 C 0.344955 16 I 0.356559 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147450460 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= 1.37D+01 NSMCal= 741 NSMKep= 730 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 730 NTPThr= 100 NPartT= 1 Incr= 7 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= 7. PRISM was handed 2147387977 working-precision words and 730 shell-pairs IPart= 0 NShTot= 730 NBatch= 26 AvBLen= 28.1 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 8. Electronic moments (au): -66.00000000 109.22813518 -45.34250970 0.72164457 -987.46639278 -754.35048917 -127.37791271 -153.04246737 4.33923780 -2.96756393 3964.28939385 -1135.38096100 -74.64306318 1330.68366606 568.74667209 85.42014158 -2.76198891 -285.76369355 -248.18825151 -113.43396368 -30034.59088080 -16598.53146645 -881.66962535 -5114.97052698 52.03127077 -3757.80571594 -1151.92498259 2.48477969 -407.71238098 -11104.52996586 -1211.82614356 -1956.95673084 859.83772002 -42.21341723 -308.02799815 Electronic spatial extent (au): = 1869.1948 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 66.00000000 -107.19842854 47.16748929 -0.62466056 916.70242881 685.99944153 63.96113812 153.75932666 -4.61713471 3.62702115 -3709.21741417 1145.47016435 72.99234498 -1151.37911175 -541.69020678 -91.36911765 55.62545500 274.99077129 240.00842813 99.08025101 24905.01354030 13079.00661024 340.56973461 4636.20071998 -52.23869682 3561.23512479 1112.15482212 -8.09118062 390.55245156 9106.37514386 262.70824315 1309.87752290 -838.23374550 2.45781087 248.86478929 Total moments (au): 0.00000000 2.02970664 1.82497958 0.09698402 -70.76396397 -68.35104764 -63.41677458 0.71685929 -0.27789691 0.65945722 255.07197968 10.08920335 -1.65071820 179.30455431 27.05646531 -5.94897607 52.86346608 -10.77292226 -8.17982338 -14.35371266 -5129.57734051 -3519.52485622 -541.09989074 -478.76980700 -0.20742604 -196.57059115 -39.77016046 -5.60640093 -17.15992943 -1998.15482200 -949.11790041 -647.07920794 21.60397452 -39.75560636 -59.16320886 Traceless Quadrup. (au): -3.25336857 -0.84045224 4.09382081 0.71685929 -0.27789691 0.65945722 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 5.1590 Y= 4.6386 Z= 0.2465 Tot= 6.9421 Quadrupole moment (field-independent basis, Debye-Ang): XX= -95.1800 YY= -91.9345 ZZ= -85.2977 XY= 0.9642 XZ= -0.3738 YZ= 0.8870 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -4.3759 YY= -1.1304 ZZ= 5.5063 XY= 0.9642 XZ= -0.3738 YZ= 0.8870 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 181.5504 YYY= 7.1811 ZZZ= -1.1749 XYY= 127.6221 XXY= 19.2577 XXZ= -4.2343 XZZ= 37.6262 YZZ= -7.6678 YYZ= -5.8221 XYZ= -10.2164 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1932.0448 YYYY= -1325.6218 ZZZZ= -203.8042 XXXY= -180.3277 XXXZ= -0.0781 YYYX= -74.0379 YYYZ= -14.9793 ZZZX= -2.1116 ZZZY= -6.4633 XXYY= -752.6009 XXZZ= -357.4833 YYZZ= -243.7211 XXYZ= 8.1371 YYXZ= -14.9739 ZZXY= -22.2837 N-N= 3.834236816900D+02 E-N=-1.028857836507D+03 KE= 8.432162470021D+01 Entering OneElI... OneElI was handed 2147455961 working-precision words. Calculate electrostatic properties NBasis = 110 MinDer = 0 MaxDer = 0 NGrid = 19 NMatD = 1 Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.37D+01 NSMCal= 741 NSMKep= 719 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 13661 NTPThr= 100 NPartT= 12 Incr= 11 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= 11. PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs PRISM was handed 178927692 working-precision words and 719 shell-pairs IPart= 0 NShTot= 1444 NBatch= 76 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 7 NShTot= 1026 NBatch= 54 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 1102 NBatch= 58 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 5 NShTot= 1140 NBatch= 60 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 931 NBatch= 49 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 4 NShTot= 1178 NBatch= 62 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 969 NBatch= 51 AvBLen= 19.0 IPart= 8 NShTot= 1007 NBatch= 53 AvBLen= 19.0 IPart= 10 NShTot= 969 NBatch= 51 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 1 NShTot= 1349 NBatch= 71 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 3 NShTot= 1235 NBatch= 65 AvBLen= 19.0 IPart= 2 NShTot= 1311 NBatch= 69 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 133. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.229635 -0.059524 0.289159 2 Atom 0.051936 0.017035 -0.068970 3 Atom -1.183859 -0.356795 1.540654 4 Atom 0.582348 0.068833 -0.651182 5 Atom 0.300237 0.049015 -0.349252 6 Atom -0.410999 -0.493669 0.904668 7 Atom 0.067084 0.206044 -0.273129 8 Atom 1.176487 -0.765829 -0.410658 9 Atom -0.556278 -0.469891 1.026170 10 Atom 0.079288 0.071243 -0.150532 11 Atom -0.080281 0.078425 0.001856 12 Atom 0.070257 -0.038728 -0.031529 13 Atom 0.166741 -0.320971 0.154230 14 Atom -0.085108 0.150775 -0.065667 15 Atom -0.370589 0.146424 0.224165 16 Atom -0.106112 0.052353 0.053759 17 Atom 0.118612 -0.352351 0.233740 18 Atom -0.193796 0.098809 0.094986 19 Atom -0.035594 -0.121255 0.156849 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.128704 0.237153 -0.057854 2 Atom -0.024194 -0.044947 -0.050603 3 Atom -0.605458 1.188468 0.014391 4 Atom -1.507926 0.153690 -0.068912 5 Atom 0.078574 -0.003780 -0.037803 6 Atom -0.090988 0.002916 0.123966 7 Atom -0.066884 -0.000766 -0.044208 8 Atom 1.122269 -0.086956 0.059956 9 Atom 0.038936 -0.014299 0.143344 10 Atom 0.156967 -0.018290 -0.018607 11 Atom -0.077168 0.004618 -0.010088 12 Atom 0.116163 -0.125278 0.198761 13 Atom -0.051667 0.004468 0.043597 14 Atom -0.064133 0.238157 0.049864 15 Atom 0.072135 -0.008469 0.007248 16 Atom 0.039771 -0.009935 -0.002382 17 Atom 0.217156 -0.020840 0.056157 18 Atom 0.155195 -0.151443 0.059901 19 Atom -0.206974 0.059149 0.046221 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.5600 2.690 0.960 0.897 0.5208 0.8506 -0.0730 6 N(14) Bbb -0.3556 1.708 0.609 0.570 0.8537 -0.5185 0.0490 Bcc 0.9156 -4.397 -1.569 -1.467 -0.0038 0.0879 0.9961 Baa -0.5741 2.757 0.984 0.920 0.9144 -0.4024 0.0442 9 N(14) Bbb -0.4657 2.237 0.798 0.746 0.4048 0.9106 -0.0836 Bcc 1.0398 -4.994 -1.782 -1.666 -0.0066 0.0943 0.9955 Baa -0.1160 -19.356 -6.907 -6.456 0.9720 -0.2288 0.0537 16 I(127) Bbb 0.0521 8.686 3.099 2.897 0.0510 0.4281 0.9023 Bcc 0.0640 10.669 3.807 3.559 0.2294 0.8743 -0.4278 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon May 6 15:28:42 2024, MaxMem= 2147483648 cpu: 0.8 elap: 0.1 FitSet: NAtFit= 19 NAtPot= 19 NAtFrz= 0 MDM= 23 TotChg= 0.00000 Merz-Kollman atomic radii used. Read replacement radii for each type of atom: Rad(53) = 1.990000000000D+00 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 53 1.99 17 1 1.20 18 1 1.20 19 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 0.089697 1.965737 -0.241619 Atomic Center 2 is at 0.383024 2.642158 1.092769 Atomic Center 3 is at 1.329884 1.552121 -0.790216 Atomic Center 4 is at -3.278924 -2.386600 0.154038 Atomic Center 5 is at -2.479338 -1.448970 0.066154 Atomic Center 6 is at -2.927815 -0.151012 -0.053801 Atomic Center 7 is at -2.144955 0.987432 -0.155615 Atomic Center 8 is at -2.639229 2.094109 -0.263070 Atomic Center 9 is at -0.794817 0.770832 -0.135357 Atomic Center 10 is at -0.255669 -0.485833 -0.012826 Atomic Center 11 is at -1.038413 -1.565403 0.087596 Atomic Center 12 is at -0.364435 2.659623 -0.948168 Atomic Center 13 is at 0.494904 3.721821 0.996590 Atomic Center 14 is at -0.396276 2.459553 1.832485 Atomic Center 15 is at -3.948643 -0.013832 -0.069508 Atomic Center 16 is at 1.831306 -0.715415 0.018140 Atomic Center 17 is at -0.672189 -2.524240 0.178549 Atomic Center 18 is at 1.318247 2.238131 1.479265 Atomic Center 19 is at 1.947678 2.389450 -0.931313 ESP Fit Center 20 is at 0.805024 3.897177 -0.651309 ESP Fit Center 21 is at -0.312121 1.269768 -2.181766 ESP Fit Center 22 is at -0.115148 1.610935 -2.301268 ESP Fit Center 23 is at 0.792714 2.642158 3.152418 ESP Fit Center 24 is at 0.587869 2.996959 3.152418 ESP Fit Center 25 is at 1.078993 3.043975 3.032916 ESP Fit Center 26 is at 0.784842 3.338126 3.032916 ESP Fit Center 27 is at 0.383024 3.445793 3.032916 ESP Fit Center 28 is at 1.245224 3.428157 2.838855 ESP Fit Center 29 is at 0.903066 3.686542 2.838855 ESP Fit Center 30 is at 0.490673 3.803878 2.838855 ESP Fit Center 31 is at 0.063742 3.764317 2.838855 ESP Fit Center 32 is at 1.355443 3.764388 2.577693 ESP Fit Center 33 is at 0.999884 3.992892 2.577693 ESP Fit Center 34 is at -0.233836 3.992892 2.577693 ESP Fit Center 35 is at 0.594351 1.172348 2.577693 ESP Fit Center 36 is at 1.689988 3.800027 2.259466 ESP Fit Center 37 is at -0.608866 4.079158 2.259466 ESP Fit Center 38 is at 0.172557 0.908802 2.259466 ESP Fit Center 39 is at 0.593492 0.908802 2.259466 ESP Fit Center 40 is at 1.927562 3.816284 1.896404 ESP Fit Center 41 is at 0.069143 0.727569 1.896404 ESP Fit Center 42 is at -1.179751 3.983756 1.502459 ESP Fit Center 43 is at -1.363062 3.808855 1.092769 ESP Fit Center 44 is at -1.557123 3.445793 1.092769 ESP Fit Center 45 is at 2.275755 3.454392 0.683079 ESP Fit Center 46 is at -1.179751 3.983756 0.683079 ESP Fit Center 47 is at -1.417823 3.641709 0.683079 ESP Fit Center 48 is at -1.025514 3.976396 0.289134 ESP Fit Center 49 is at -1.279405 3.642408 0.289134 ESP Fit Center 50 is at 2.727446 1.962483 0.521280 ESP Fit Center 51 is at 2.973966 1.129993 -1.770216 ESP Fit Center 52 is at 0.104544 0.764643 -2.101712 ESP Fit Center 53 is at 0.376037 0.451324 -2.101712 ESP Fit Center 54 is at 2.727446 1.141760 -2.101712 ESP Fit Center 55 is at 2.481943 1.552121 -2.375889 ESP Fit Center 56 is at 1.014608 2.660201 -2.375889 ESP Fit Center 57 is at 0.635613 2.471484 -2.375889 ESP Fit Center 58 is at 0.197441 1.763812 -2.375889 ESP Fit Center 59 is at 0.197441 1.340431 -2.375889 ESP Fit Center 60 is at 0.350383 0.945640 -2.375889 ESP Fit Center 61 is at 0.635613 0.632758 -2.375889 ESP Fit Center 62 is at 2.181266 0.775984 -2.375889 ESP Fit Center 63 is at 2.404147 1.135950 -2.375889 ESP Fit Center 64 is at 2.127087 1.552121 -2.580765 ESP Fit Center 65 is at 2.020282 1.950723 -2.580765 ESP Fit Center 66 is at 1.329884 2.349325 -2.580765 ESP Fit Center 67 is at 0.931282 2.242520 -2.580765 ESP Fit Center 68 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0.156590 ESP Fit Center 699 is at -0.571630 4.711420 0.156590 ESP Fit Center 700 is at -0.815936 4.353088 0.156590 ESP Fit Center 701 is at 1.602625 4.150954 -0.191349 ESP Fit Center 702 is at 1.372802 4.522131 -0.191349 ESP Fit Center 703 is at 1.024414 4.785221 -0.191349 ESP Fit Center 704 is at 0.604513 4.904693 -0.191349 ESP Fit Center 705 is at 0.169809 4.864412 -0.191349 ESP Fit Center 706 is at -0.220989 4.669817 -0.191349 ESP Fit Center 707 is at -0.515102 4.347191 -0.191349 ESP Fit Center 708 is at 1.222366 4.141821 -0.458332 ESP Fit Center 709 is at 0.914904 4.449282 -0.458332 ESP Fit Center 710 is at 0.494904 4.561821 -0.458332 ESP Fit Center 711 is at 0.074904 4.449282 -0.458332 ESP Fit Center 712 is at 0.712312 4.098383 -0.626165 ESP Fit Center 713 is at -0.396276 2.459553 3.512485 ESP Fit Center 714 is at 0.038540 2.459553 3.455240 ESP Fit Center 715 is at -0.178868 2.836115 3.455240 ESP Fit Center 716 is at -0.613684 2.836115 3.455240 ESP Fit Center 717 is at -0.831092 2.459553 3.455240 ESP Fit Center 718 is at -0.613684 2.082992 3.455240 ESP Fit Center 719 is at -0.178868 2.082992 3.455240 ESP Fit Center 720 is at 0.443724 2.459553 3.287408 ESP Fit Center 721 is at 0.331185 2.879553 3.287408 ESP Fit Center 722 is at 0.023724 3.187015 3.287408 ESP Fit Center 723 is at -0.396276 3.299553 3.287408 ESP Fit Center 724 is at -0.816276 3.187015 3.287408 ESP Fit Center 725 is at -1.123737 2.879553 3.287408 ESP Fit Center 726 is at -1.236276 2.459553 3.287408 ESP Fit Center 727 is at -1.123737 2.039553 3.287408 ESP Fit Center 728 is at -0.816276 1.732092 3.287408 ESP Fit Center 729 is at -0.396276 1.619553 3.287408 ESP Fit Center 730 is at 0.023724 1.732092 3.287408 ESP Fit Center 731 is at 0.331185 2.039553 3.287408 ESP Fit Center 732 is at 0.133234 3.522953 3.020424 ESP Fit Center 733 is at -0.286667 3.642425 3.020424 ESP Fit Center 734 is at -0.721371 3.602144 3.020424 ESP Fit Center 735 is at -1.112170 3.407549 3.020424 ESP Fit Center 736 is at -1.406283 3.084923 3.020424 ESP Fit Center 737 is at -1.563989 2.677837 3.020424 ESP Fit Center 738 is at -1.563989 2.241270 3.020424 ESP Fit Center 739 is at -1.406283 1.834184 3.020424 ESP Fit Center 740 is at -1.112170 1.511557 3.020424 ESP Fit Center 741 is at -0.721371 1.316963 3.020424 ESP Fit Center 742 is at -0.286667 1.276682 3.020424 ESP Fit Center 743 is at 0.133234 1.396154 3.020424 ESP Fit Center 744 is at 0.481622 1.659244 3.020424 ESP Fit Center 745 is at -0.287550 3.910408 2.672485 ESP Fit Center 746 is at -0.720027 3.877998 2.672485 ESP Fit Center 747 is at -1.123737 3.719553 2.672485 ESP Fit Center 748 is at -1.462810 3.449152 2.672485 ESP Fit Center 749 is at -1.707116 3.090821 2.672485 ESP Fit Center 750 is at -1.834949 2.676398 2.672485 ESP Fit Center 751 is at -1.834949 2.242708 2.672485 ESP Fit Center 752 is at -1.707116 1.828286 2.672485 ESP Fit Center 753 is at -1.462810 1.469955 2.672485 ESP Fit Center 754 is at -1.123737 1.199553 2.672485 ESP Fit Center 755 is at -0.720027 1.041109 2.672485 ESP Fit Center 756 is at -0.287550 1.008699 2.672485 ESP Fit Center 757 is at 0.135267 1.105204 2.672485 ESP Fit Center 758 is at -0.816276 4.027015 2.267301 ESP Fit Center 759 is at -1.207654 3.864901 2.267301 ESP Fit Center 760 is at -1.543737 3.607015 2.267301 ESP Fit Center 761 is at -1.801624 3.270931 2.267301 ESP Fit Center 762 is at -1.963737 2.879553 2.267301 ESP Fit Center 763 is at -2.019032 2.459553 2.267301 ESP Fit Center 764 is at -1.963737 2.039553 2.267301 ESP Fit Center 765 is at -1.801624 1.648176 2.267301 ESP Fit Center 766 is at -1.543737 1.312092 2.267301 ESP Fit Center 767 is at -1.207654 1.054206 2.267301 ESP Fit Center 768 is at -0.816276 0.892092 2.267301 ESP Fit Center 769 is at -0.396276 0.836798 2.267301 ESP Fit Center 770 is at 0.023724 0.892092 2.267301 ESP Fit Center 771 is at -1.111585 3.979663 1.832485 ESP Fit Center 772 is at -1.467148 3.754016 1.832485 ESP Fit Center 773 is at -1.755425 3.447033 1.832485 ESP Fit Center 774 is at -1.958301 3.078003 1.832485 ESP Fit Center 775 is at -2.063029 2.670113 1.832485 ESP Fit Center 776 is at -2.063029 2.248994 1.832485 ESP Fit Center 777 is at -1.958301 1.841104 1.832485 ESP Fit Center 778 is at -1.467148 1.165091 1.832485 ESP Fit Center 779 is at -1.543737 3.607015 1.397669 ESP Fit Center 780 is at -1.801624 3.270931 1.397669 ESP Fit Center 781 is at -4.383459 -0.013832 1.553248 ESP Fit Center 782 is at -4.368643 0.713629 1.385415 ESP Fit Center 783 is at -4.676104 0.406168 1.385415 ESP Fit Center 784 is at -4.788643 -0.013832 1.385415 ESP Fit Center 785 is at -4.676104 -0.433832 1.385415 ESP Fit Center 786 is at -4.368643 -0.741294 1.385415 ESP Fit Center 787 is at -4.273738 1.128758 1.118432 ESP Fit Center 788 is at -4.664536 0.934164 1.118432 ESP Fit Center 789 is at -4.958649 0.611537 1.118432 ESP Fit Center 790 is at -5.116355 0.204451 1.118432 ESP Fit Center 791 is at -5.116355 -0.232116 1.118432 ESP Fit Center 792 is at -4.958649 -0.639202 1.118432 ESP Fit Center 793 is at -4.664536 -0.961829 1.118432 ESP Fit Center 794 is at -4.272394 1.404612 0.770492 ESP Fit Center 795 is at -4.676104 1.246168 0.770492 ESP Fit Center 796 is at -5.015177 0.975766 0.770492 ESP Fit Center 797 is at -5.259483 0.617435 0.770492 ESP Fit Center 798 is at -5.387315 0.203013 0.770492 ESP Fit Center 799 is at -5.387315 -0.230677 0.770492 ESP Fit Center 800 is at -5.259483 -0.645100 0.770492 ESP Fit Center 801 is at -5.015177 -1.003431 0.770492 ESP Fit Center 802 is at -4.760020 1.391515 0.365308 ESP Fit Center 803 is at -5.096104 1.133629 0.365308 ESP Fit Center 804 is at -5.353990 0.797545 0.365308 ESP Fit Center 805 is at -5.516104 0.406168 0.365308 ESP Fit Center 806 is at -5.571398 -0.013832 0.365308 ESP Fit Center 807 is at -5.516104 -0.433832 0.365308 ESP Fit Center 808 is at -5.353990 -0.825210 0.365308 ESP Fit Center 809 is at -5.096104 -1.161294 0.365308 ESP Fit Center 810 is at -4.663952 1.506277 -0.069508 ESP Fit Center 811 is at -5.019515 1.280630 -0.069508 ESP Fit Center 812 is at -5.307791 0.973647 -0.069508 ESP Fit Center 813 is at -5.510667 0.604617 -0.069508 ESP Fit Center 814 is at -5.615396 0.196727 -0.069508 ESP Fit Center 815 is at -5.615396 -0.224392 -0.069508 ESP Fit Center 816 is at -5.510667 -0.632282 -0.069508 ESP Fit Center 817 is at -5.307791 -1.001312 -0.069508 ESP Fit Center 818 is at -5.019515 -1.308295 -0.069508 ESP Fit Center 819 is at -4.760020 1.391515 -0.504324 ESP Fit Center 820 is at -5.096104 1.133629 -0.504324 ESP Fit Center 821 is at -5.353990 0.797545 -0.504324 ESP Fit Center 822 is at -5.516104 0.406168 -0.504324 ESP Fit Center 823 is at -5.571398 -0.013832 -0.504324 ESP Fit Center 824 is at -5.516104 -0.433832 -0.504324 ESP Fit Center 825 is at -5.353990 -0.825210 -0.504324 ESP Fit Center 826 is at -5.096104 -1.161294 -0.504324 ESP Fit Center 827 is at -4.676104 1.246168 -0.909508 ESP Fit Center 828 is at -5.015177 0.975766 -0.909508 ESP Fit Center 829 is at -5.259483 0.617435 -0.909508 ESP Fit Center 830 is at -5.387315 0.203013 -0.909508 ESP Fit Center 831 is at -5.387315 -0.230677 -0.909508 ESP Fit Center 832 is at -5.259483 -0.645100 -0.909508 ESP Fit Center 833 is at -5.015177 -1.003431 -0.909508 ESP Fit Center 834 is at -4.676104 -1.273832 -0.909508 ESP Fit Center 835 is at -4.273738 1.128758 -1.257447 ESP Fit Center 836 is at -4.664536 0.934164 -1.257447 ESP Fit Center 837 is at -4.958649 0.611537 -1.257447 ESP Fit Center 838 is at -5.116355 0.204451 -1.257447 ESP Fit Center 839 is at -5.116355 -0.232116 -1.257447 ESP Fit Center 840 is at -4.958649 -0.639202 -1.257447 ESP Fit Center 841 is at -4.664536 -0.961829 -1.257447 ESP Fit Center 842 is at -4.368643 0.713629 -1.524430 ESP Fit Center 843 is at -4.676104 0.406168 -1.524430 ESP Fit Center 844 is at -4.788643 -0.013832 -1.524430 ESP Fit Center 845 is at -4.676104 -0.433832 -1.524430 ESP Fit Center 846 is at -4.368643 -0.741294 -1.524430 ESP Fit Center 847 is at -4.166051 0.362729 -1.692263 ESP Fit Center 848 is at -4.383459 -0.013832 -1.692263 ESP Fit Center 849 is at 1.831306 -0.715415 2.804140 ESP Fit Center 850 is at 2.246538 -0.715415 2.773023 ESP Fit Center 851 is at 2.038922 -0.355814 2.773023 ESP Fit Center 852 is at 1.623690 -0.355814 2.773023 ESP Fit Center 853 is at 1.416074 -0.715415 2.773023 ESP Fit Center 854 is at 1.623690 -1.075016 2.773023 ESP Fit Center 855 is at 2.038922 -1.075016 2.773023 ESP Fit Center 856 is at 2.652494 -0.715415 2.680366 ESP Fit Center 857 is at 2.542476 -0.304821 2.680366 ESP Fit Center 858 is at 2.241900 -0.004246 2.680366 ESP Fit Center 859 is at 1.831306 0.105773 2.680366 ESP Fit Center 860 is at 1.420712 -0.004246 2.680366 ESP Fit Center 861 is at 1.120136 -0.304821 2.680366 ESP Fit Center 862 is at 1.010118 -0.715415 2.680366 ESP Fit Center 863 is at 1.120136 -1.126009 2.680366 ESP Fit Center 864 is at 1.420712 -1.426585 2.680366 ESP Fit Center 865 is at 1.831306 -1.536603 2.680366 ESP Fit Center 866 is at 2.241900 -1.426585 2.680366 ESP Fit Center 867 is at 2.542476 -1.126009 2.680366 ESP Fit Center 868 is at 3.040106 -0.715415 2.528239 ESP Fit Center 869 is at 2.967207 -0.301981 2.528239 ESP Fit Center 870 is at 2.757301 0.061587 2.528239 ESP Fit Center 871 is at 2.435706 0.331436 2.528239 ESP Fit Center 872 is at 2.041212 0.475020 2.528239 ESP Fit Center 873 is at 1.621400 0.475020 2.528239 ESP Fit Center 874 is at 1.226906 0.331436 2.528239 ESP Fit Center 875 is at 0.905311 0.061587 2.528239 ESP Fit Center 876 is at 0.695405 -0.301981 2.528239 ESP Fit Center 877 is at 0.622506 -0.715415 2.528239 ESP Fit Center 878 is at 0.695405 -1.128849 2.528239 ESP Fit Center 879 is at 0.905311 -1.492417 2.528239 ESP Fit Center 880 is at 1.226906 -1.762267 2.528239 ESP Fit Center 881 is at 1.621400 -1.905851 2.528239 ESP Fit Center 882 is at 2.041212 -1.905851 2.528239 ESP Fit Center 883 is at 2.435706 -1.762267 2.528239 ESP Fit Center 884 is at 2.757301 -1.492417 2.528239 ESP Fit Center 885 is at 2.967207 -1.128849 2.528239 ESP Fit Center 886 is at 3.400716 -0.715415 2.320041 ESP Fit Center 887 is at 3.342518 -0.291994 2.320041 ESP Fit Center 888 is at 3.172240 0.100025 2.320041 ESP Fit Center 889 is at 2.902512 0.431566 2.320041 ESP Fit Center 890 is at 2.553337 0.678040 2.320041 ESP Fit Center 891 is at 2.150612 0.821169 2.320041 ESP Fit Center 892 is at 1.305743 0.763378 2.320041 ESP Fit Center 893 is at 0.926258 0.566745 2.320041 ESP Fit Center 894 is at 0.613897 0.275020 2.320041 ESP Fit Center 895 is at 0.391826 -0.090161 2.320041 ESP Fit Center 896 is at 0.276514 -0.501714 2.320041 ESP Fit Center 897 is at 0.276514 -0.929116 2.320041 ESP Fit Center 898 is at 0.391826 -1.340670 2.320041 ESP Fit Center 899 is at 0.613897 -1.705851 2.320041 ESP Fit Center 900 is at 0.926258 -1.997576 2.320041 ESP Fit Center 901 is at 1.305743 -2.194209 2.320041 ESP Fit Center 902 is at 1.724206 -2.281166 2.320041 ESP Fit Center 903 is at 2.150612 -2.251999 2.320041 ESP Fit Center 904 is at 2.553337 -2.108871 2.320041 ESP Fit Center 905 is at 2.902512 -1.862396 2.320041 ESP Fit Center 906 is at 3.172240 -1.530855 2.320041 ESP Fit Center 907 is at 3.342518 -1.138837 2.320041 ESP Fit Center 908 is at 3.726267 -0.715415 2.060423 ESP Fit Center 909 is at 3.678757 -0.293747 2.060423 ESP Fit Center 910 is at 3.538607 0.106778 2.060423 ESP Fit Center 911 is at 3.312846 0.466074 2.060423 ESP Fit Center 912 is at 3.012795 0.766125 2.060423 ESP Fit Center 913 is at 2.653499 0.991886 2.060423 ESP Fit Center 914 is at 0.649817 0.766125 2.060423 ESP Fit Center 915 is at 0.349766 0.466074 2.060423 ESP Fit Center 916 is at 0.124005 0.106778 2.060423 ESP Fit Center 917 is at -0.016145 -1.137084 2.060423 ESP Fit Center 918 is at 0.124005 -1.537608 2.060423 ESP Fit Center 919 is at 0.349766 -1.896904 2.060423 ESP Fit Center 920 is at 0.649817 -2.196956 2.060423 ESP Fit Center 921 is at 1.009113 -2.422716 2.060423 ESP Fit Center 922 is at 1.409637 -2.562866 2.060423 ESP Fit Center 923 is at 1.831306 -2.610376 2.060423 ESP Fit Center 924 is at 2.252975 -2.562866 2.060423 ESP Fit Center 925 is at 2.653499 -2.422716 2.060423 ESP Fit Center 926 is at 3.012795 -2.196956 2.060423 ESP Fit Center 927 is at 3.312846 -1.896904 2.060423 ESP Fit Center 928 is at 3.538607 -1.537608 2.060423 ESP Fit Center 929 is at 3.678757 -1.137084 2.060423 ESP Fit Center 930 is at 4.009489 -0.715415 1.755183 ESP Fit Center 931 is at 3.967635 -0.290473 1.755183 ESP Fit Center 932 is at 3.843684 0.118139 1.755183 ESP Fit Center 933 is at 3.642399 0.494718 1.755183 ESP Fit Center 934 is at 3.371514 0.824792 1.755183 ESP Fit Center 935 is at 3.041439 1.095677 1.755183 ESP Fit Center 936 is at 0.291098 -2.255623 1.755183 ESP Fit Center 937 is at 0.621173 -2.526508 1.755183 ESP Fit Center 938 is at 0.997752 -2.727793 1.755183 ESP Fit Center 939 is at 1.406364 -2.851745 1.755183 ESP Fit Center 940 is at 1.831306 -2.893598 1.755183 ESP Fit Center 941 is at 2.256248 -2.851745 1.755183 ESP Fit Center 942 is at 2.664860 -2.727793 1.755183 ESP Fit Center 943 is at 3.041439 -2.526508 1.755183 ESP Fit Center 944 is at 3.371514 -2.255623 1.755183 ESP Fit Center 945 is at 3.642399 -1.925549 1.755183 ESP Fit Center 946 is at 3.843684 -1.548970 1.755183 ESP Fit Center 947 is at 3.967635 -1.140358 1.755183 ESP Fit Center 948 is at 4.244053 -0.715415 1.411140 ESP Fit Center 949 is at 4.207398 -0.296446 1.411140 ESP Fit Center 950 is at 4.098546 0.109793 1.411140 ESP Fit Center 951 is at 3.920806 0.490958 1.411140 ESP Fit Center 952 is at 3.679577 0.835469 1.411140 ESP Fit Center 953 is at 3.382190 1.132856 1.411140 ESP Fit Center 954 is at 3.037679 1.374085 1.411140 ESP Fit Center 955 is at 0.624933 -2.804915 1.411140 ESP Fit Center 956 is at 1.006098 -2.982656 1.411140 ESP Fit Center 957 is at 1.412337 -3.091507 1.411140 ESP Fit Center 958 is at 1.831306 -3.128162 1.411140 ESP Fit Center 959 is at 2.250275 -3.091507 1.411140 ESP Fit Center 960 is at 2.656514 -2.982656 1.411140 ESP Fit Center 961 is at 3.037679 -2.804915 1.411140 ESP Fit Center 962 is at 3.382190 -2.563686 1.411140 ESP Fit Center 963 is at 3.679577 -2.266299 1.411140 ESP Fit Center 964 is at 3.920806 -1.921789 1.411140 ESP Fit Center 965 is at 4.098546 -1.540623 1.411140 ESP Fit Center 966 is at 4.207398 -1.134384 1.411140 ESP Fit Center 967 is at 4.424720 -0.715415 1.035980 ESP Fit Center 968 is at 4.391136 -0.299402 1.035980 ESP Fit Center 969 is at 4.291254 0.105836 1.035980 ESP Fit Center 970 is at 4.127660 0.489804 1.035980 ESP Fit Center 971 is at 3.904592 0.842558 1.035980 ESP Fit Center 972 is at 3.627827 1.154961 1.035980 ESP Fit Center 973 is at 3.304533 1.418923 1.035980 ESP Fit Center 974 is at 2.943083 1.627606 1.035980 ESP Fit Center 975 is at 0.911669 -3.140300 1.035980 ESP Fit Center 976 is at 1.312557 -3.256418 1.035980 ESP Fit Center 977 is at 1.726880 -3.306726 1.035980 ESP Fit Center 978 is at 2.143908 -3.289921 1.035980 ESP Fit Center 979 is at 2.552839 -3.206437 1.035980 ESP Fit Center 980 is at 2.943083 -3.058436 1.035980 ESP Fit Center 981 is at 3.304533 -2.849753 1.035980 ESP Fit Center 982 is at 3.627827 -2.585792 1.035980 ESP Fit Center 983 is at 3.904592 -2.273389 1.035980 ESP Fit Center 984 is at 4.127660 -1.920635 1.035980 ESP Fit Center 985 is at 4.291254 -1.536667 1.035980 ESP Fit Center 986 is at 4.391136 -1.131428 1.035980 ESP Fit Center 987 is at 4.547455 -0.715415 0.638083 ESP Fit Center 988 is at 4.514015 -0.290516 0.638083 ESP Fit Center 989 is at 4.414517 0.123921 0.638083 ESP Fit Center 990 is at 4.251413 0.517691 0.638083 ESP Fit Center 991 is at 4.028717 0.881097 0.638083 ESP Fit Center 992 is at 3.751914 1.205192 0.638083 ESP Fit Center 993 is at 3.427818 1.481996 0.638083 ESP Fit Center 994 is at 3.064412 1.704691 0.638083 ESP Fit Center 995 is at 0.991970 -3.298627 0.638083 ESP Fit Center 996 is at 1.406407 -3.398124 0.638083 ESP Fit Center 997 is at 1.831306 -3.431564 0.638083 ESP Fit Center 998 is at 2.256205 -3.398124 0.638083 ESP Fit Center 999 is at 2.670642 -3.298627 0.638083 ESP Fit Center 1000 is at 3.064412 -3.135522 0.638083 ESP Fit Center 1001 is at 3.427818 -2.912826 0.638083 ESP Fit Center 1002 is at 3.751914 -2.636023 0.638083 ESP Fit Center 1003 is at 4.028717 -2.311928 0.638083 ESP Fit Center 1004 is at 4.251413 -1.948521 0.638083 ESP Fit Center 1005 is at 4.414517 -1.554751 0.638083 ESP Fit Center 1006 is at 4.514015 -1.140315 0.638083 ESP Fit Center 1007 is at 4.609516 -0.715415 0.226338 ESP Fit Center 1008 is at 4.576956 -0.291323 0.226338 ESP Fit Center 1009 is at 4.480041 0.122828 0.226338 ESP Fit Center 1010 is at 4.321042 0.517332 0.226338 ESP Fit Center 1011 is at 4.103685 0.882941 0.226338 ESP Fit Center 1012 is at 3.833066 1.211086 0.226338 ESP Fit Center 1013 is at 3.515527 1.494075 0.226338 ESP Fit Center 1014 is at 3.158512 1.725276 0.226338 ESP Fit Center 1015 is at 1.095132 -3.394314 0.226338 ESP Fit Center 1016 is at 1.512691 -3.475295 0.226338 ESP Fit Center 1017 is at 1.937719 -3.491586 0.226338 ESP Fit Center 1018 is at 2.360252 -3.442807 0.226338 ESP Fit Center 1019 is at 2.770388 -3.330100 0.226338 ESP Fit Center 1020 is at 3.158512 -3.156107 0.226338 ESP Fit Center 1021 is at 3.515527 -2.924906 0.226338 ESP Fit Center 1022 is at 3.833066 -2.641916 0.226338 ESP Fit Center 1023 is at 4.103685 -2.313771 0.226338 ESP Fit Center 1024 is at 4.321042 -1.948162 0.226338 ESP Fit Center 1025 is at 4.480041 -1.553658 0.226338 ESP Fit Center 1026 is at 4.576956 -1.139507 0.226338 ESP Fit Center 1027 is at 4.609516 -0.715415 -0.190058 ESP Fit Center 1028 is at 4.576956 -0.291323 -0.190058 ESP Fit Center 1029 is at 4.480041 0.122828 -0.190058 ESP Fit Center 1030 is at 4.321042 0.517332 -0.190058 ESP Fit Center 1031 is at 4.103685 0.882941 -0.190058 ESP Fit Center 1032 is at 3.833066 1.211086 -0.190058 ESP Fit Center 1033 is at 3.515527 1.494075 -0.190058 ESP Fit Center 1034 is at 1.095132 -3.394314 -0.190058 ESP Fit Center 1035 is at 1.512691 -3.475295 -0.190058 ESP Fit Center 1036 is at 1.937719 -3.491586 -0.190058 ESP Fit Center 1037 is at 2.360252 -3.442807 -0.190058 ESP Fit Center 1038 is at 2.770388 -3.330100 -0.190058 ESP Fit Center 1039 is at 3.158512 -3.156107 -0.190058 ESP Fit Center 1040 is at 3.515527 -2.924906 -0.190058 ESP Fit Center 1041 is at 3.833066 -2.641916 -0.190058 ESP Fit Center 1042 is at 4.103685 -2.313771 -0.190058 ESP Fit Center 1043 is at 4.321042 -1.948162 -0.190058 ESP Fit Center 1044 is at 4.480041 -1.553658 -0.190058 ESP Fit Center 1045 is at 4.576956 -1.139507 -0.190058 ESP Fit Center 1046 is at 4.547455 -0.715415 -0.601803 ESP Fit Center 1047 is at 4.514015 -0.290516 -0.601803 ESP Fit Center 1048 is at 4.414517 0.123921 -0.601803 ESP Fit Center 1049 is at 4.251413 0.517691 -0.601803 ESP Fit Center 1050 is at 4.028717 0.881097 -0.601803 ESP Fit Center 1051 is at 3.751914 1.205192 -0.601803 ESP Fit Center 1052 is at 3.427818 1.481996 -0.601803 ESP Fit Center 1053 is at 0.991970 -3.298627 -0.601803 ESP Fit Center 1054 is at 1.406407 -3.398124 -0.601803 ESP Fit Center 1055 is at 1.831306 -3.431564 -0.601803 ESP Fit Center 1056 is at 2.256205 -3.398124 -0.601803 ESP Fit Center 1057 is at 2.670642 -3.298627 -0.601803 ESP Fit Center 1058 is at 3.064412 -3.135522 -0.601803 ESP Fit Center 1059 is at 3.427818 -2.912826 -0.601803 ESP Fit Center 1060 is at 3.751914 -2.636023 -0.601803 ESP Fit Center 1061 is at 4.028717 -2.311928 -0.601803 ESP Fit Center 1062 is at 4.251413 -1.948521 -0.601803 ESP Fit Center 1063 is at 4.414517 -1.554751 -0.601803 ESP Fit Center 1064 is at 4.514015 -1.140315 -0.601803 ESP Fit Center 1065 is at 4.424720 -0.715415 -0.999700 ESP Fit Center 1066 is at 4.391136 -0.299402 -0.999700 ESP Fit Center 1067 is at 4.291254 0.105836 -0.999700 ESP Fit Center 1068 is at 4.127660 0.489804 -0.999700 ESP Fit Center 1069 is at 3.904592 0.842558 -0.999700 ESP Fit Center 1070 is at 3.627827 1.154961 -0.999700 ESP Fit Center 1071 is at 0.534599 -2.961378 -0.999700 ESP Fit Center 1072 is at 0.911669 -3.140300 -0.999700 ESP Fit Center 1073 is at 1.312557 -3.256418 -0.999700 ESP Fit Center 1074 is at 1.726880 -3.306726 -0.999700 ESP Fit Center 1075 is at 2.143908 -3.289921 -0.999700 ESP Fit Center 1076 is at 2.552839 -3.206437 -0.999700 ESP Fit Center 1077 is at 2.943083 -3.058436 -0.999700 ESP Fit Center 1078 is at 3.304533 -2.849753 -0.999700 ESP Fit Center 1079 is at 3.627827 -2.585792 -0.999700 ESP Fit Center 1080 is at 3.904592 -2.273389 -0.999700 ESP Fit Center 1081 is at 4.127660 -1.920635 -0.999700 ESP Fit Center 1082 is at 4.291254 -1.536667 -0.999700 ESP Fit Center 1083 is at 4.391136 -1.131428 -0.999700 ESP Fit Center 1084 is at 4.244053 -0.715415 -1.374860 ESP Fit Center 1085 is at 4.207398 -0.296446 -1.374860 ESP Fit Center 1086 is at 4.098546 0.109793 -1.374860 ESP Fit Center 1087 is at 3.920806 0.490958 -1.374860 ESP Fit Center 1088 is at 3.679577 0.835469 -1.374860 ESP Fit Center 1089 is at 3.382190 1.132856 -1.374860 ESP Fit Center 1090 is at 0.280422 -2.563686 -1.374860 ESP Fit Center 1091 is at 0.624933 -2.804915 -1.374860 ESP Fit Center 1092 is at 1.006098 -2.982656 -1.374860 ESP Fit Center 1093 is at 1.412337 -3.091507 -1.374860 ESP Fit Center 1094 is at 1.831306 -3.128162 -1.374860 ESP Fit Center 1095 is at 2.250275 -3.091507 -1.374860 ESP Fit Center 1096 is at 2.656514 -2.982656 -1.374860 ESP Fit Center 1097 is at 3.037679 -2.804915 -1.374860 ESP Fit Center 1098 is at 3.382190 -2.563686 -1.374860 ESP Fit Center 1099 is at 3.679577 -2.266299 -1.374860 ESP Fit Center 1100 is at 3.920806 -1.921789 -1.374860 ESP Fit Center 1101 is at 4.098546 -1.540623 -1.374860 ESP Fit Center 1102 is at 4.207398 -1.134384 -1.374860 ESP Fit Center 1103 is at 4.009489 -0.715415 -1.718902 ESP Fit Center 1104 is at 3.967635 -0.290473 -1.718902 ESP Fit Center 1105 is at 3.843684 0.118139 -1.718902 ESP Fit Center 1106 is at 3.642399 0.494718 -1.718902 ESP Fit Center 1107 is at 3.371514 0.824792 -1.718902 ESP Fit Center 1108 is at 3.041439 1.095677 -1.718902 ESP Fit Center 1109 is at 0.020213 -1.925549 -1.718902 ESP Fit Center 1110 is at 0.291098 -2.255623 -1.718902 ESP Fit Center 1111 is at 0.621173 -2.526508 -1.718902 ESP Fit Center 1112 is at 0.997752 -2.727793 -1.718902 ESP Fit Center 1113 is at 1.406364 -2.851745 -1.718902 ESP Fit Center 1114 is at 1.831306 -2.893598 -1.718902 ESP Fit Center 1115 is at 2.256248 -2.851745 -1.718902 ESP Fit Center 1116 is at 2.664860 -2.727793 -1.718902 ESP Fit Center 1117 is at 3.041439 -2.526508 -1.718902 ESP Fit Center 1118 is at 3.371514 -2.255623 -1.718902 ESP Fit Center 1119 is at 3.642399 -1.925549 -1.718902 ESP Fit Center 1120 is at 3.843684 -1.548970 -1.718902 ESP Fit Center 1121 is at 3.967635 -1.140358 -1.718902 ESP Fit Center 1122 is at 3.726267 -0.715415 -2.024142 ESP Fit Center 1123 is at 3.678757 -0.293747 -2.024142 ESP Fit Center 1124 is at 3.538607 0.106778 -2.024142 ESP Fit Center 1125 is at 3.312846 0.466074 -2.024142 ESP Fit Center 1126 is at 3.012795 0.766125 -2.024142 ESP Fit Center 1127 is at 0.124005 0.106778 -2.024142 ESP Fit Center 1128 is at -0.016145 -1.137084 -2.024142 ESP Fit Center 1129 is at 0.124005 -1.537608 -2.024142 ESP Fit Center 1130 is at 0.349766 -1.896904 -2.024142 ESP Fit Center 1131 is at 0.649817 -2.196956 -2.024142 ESP Fit Center 1132 is at 1.009113 -2.422716 -2.024142 ESP Fit Center 1133 is at 1.409637 -2.562866 -2.024142 ESP Fit Center 1134 is at 1.831306 -2.610376 -2.024142 ESP Fit Center 1135 is at 2.252975 -2.562866 -2.024142 ESP Fit Center 1136 is at 2.653499 -2.422716 -2.024142 ESP Fit Center 1137 is at 3.012795 -2.196956 -2.024142 ESP Fit Center 1138 is at 3.312846 -1.896904 -2.024142 ESP Fit Center 1139 is at 3.538607 -1.537608 -2.024142 ESP Fit Center 1140 is at 3.678757 -1.137084 -2.024142 ESP Fit Center 1141 is at 3.400716 -0.715415 -2.283761 ESP Fit Center 1142 is at 3.342518 -0.291994 -2.283761 ESP Fit Center 1143 is at 3.172240 0.100025 -2.283761 ESP Fit Center 1144 is at 2.902512 0.431566 -2.283761 ESP Fit Center 1145 is at 2.553337 0.678040 -2.283761 ESP Fit Center 1146 is at 0.613897 0.275020 -2.283761 ESP Fit Center 1147 is at 0.391826 -0.090161 -2.283761 ESP Fit Center 1148 is at 0.276514 -0.501714 -2.283761 ESP Fit Center 1149 is at 0.276514 -0.929116 -2.283761 ESP Fit Center 1150 is at 0.391826 -1.340670 -2.283761 ESP Fit Center 1151 is at 0.613897 -1.705851 -2.283761 ESP Fit Center 1152 is at 0.926258 -1.997576 -2.283761 ESP Fit Center 1153 is at 1.305743 -2.194209 -2.283761 ESP Fit Center 1154 is at 1.724206 -2.281166 -2.283761 ESP Fit Center 1155 is at 2.150612 -2.251999 -2.283761 ESP Fit Center 1156 is at 2.553337 -2.108871 -2.283761 ESP Fit Center 1157 is at 2.902512 -1.862396 -2.283761 ESP Fit Center 1158 is at 3.172240 -1.530855 -2.283761 ESP Fit Center 1159 is at 3.342518 -1.138837 -2.283761 ESP Fit Center 1160 is at 3.040106 -0.715415 -2.491959 ESP Fit Center 1161 is at 2.967207 -0.301981 -2.491959 ESP Fit Center 1162 is at 2.757301 0.061587 -2.491959 ESP Fit Center 1163 is at 2.435706 0.331436 -2.491959 ESP Fit Center 1164 is at 2.041212 0.475020 -2.491959 ESP Fit Center 1165 is at 1.621400 0.475020 -2.491959 ESP Fit Center 1166 is at 1.226906 0.331436 -2.491959 ESP Fit Center 1167 is at 0.905311 0.061587 -2.491959 ESP Fit Center 1168 is at 0.695405 -0.301981 -2.491959 ESP Fit Center 1169 is at 0.622506 -0.715415 -2.491959 ESP Fit Center 1170 is at 0.695405 -1.128849 -2.491959 ESP Fit Center 1171 is at 0.905311 -1.492417 -2.491959 ESP Fit Center 1172 is at 1.226906 -1.762267 -2.491959 ESP Fit Center 1173 is at 1.621400 -1.905851 -2.491959 ESP Fit Center 1174 is at 2.041212 -1.905851 -2.491959 ESP Fit Center 1175 is at 2.435706 -1.762267 -2.491959 ESP Fit Center 1176 is at 2.757301 -1.492417 -2.491959 ESP Fit Center 1177 is at 2.967207 -1.128849 -2.491959 ESP Fit Center 1178 is at 2.652494 -0.715415 -2.644086 ESP Fit Center 1179 is at 2.542476 -0.304821 -2.644086 ESP Fit Center 1180 is at 2.241900 -0.004246 -2.644086 ESP Fit Center 1181 is at 1.831306 0.105773 -2.644086 ESP Fit Center 1182 is at 1.420712 -0.004246 -2.644086 ESP Fit Center 1183 is at 1.120136 -0.304821 -2.644086 ESP Fit Center 1184 is at 1.010118 -0.715415 -2.644086 ESP Fit Center 1185 is at 1.120136 -1.126009 -2.644086 ESP Fit Center 1186 is at 1.420712 -1.426585 -2.644086 ESP Fit Center 1187 is at 1.831306 -1.536603 -2.644086 ESP Fit Center 1188 is at 2.241900 -1.426585 -2.644086 ESP Fit Center 1189 is at 2.542476 -1.126009 -2.644086 ESP Fit Center 1190 is at 2.246538 -0.715415 -2.736743 ESP Fit Center 1191 is at 2.038922 -0.355814 -2.736743 ESP Fit Center 1192 is at 1.623690 -0.355814 -2.736743 ESP Fit Center 1193 is at 1.416074 -0.715415 -2.736743 ESP Fit Center 1194 is at 1.623690 -1.075016 -2.736743 ESP Fit Center 1195 is at 2.038922 -1.075016 -2.736743 ESP Fit Center 1196 is at 1.831306 -0.715415 -2.767860 ESP Fit Center 1197 is at -0.237373 -2.524240 1.801304 ESP Fit Center 1198 is at -0.889597 -2.900802 1.801304 ESP Fit Center 1199 is at -0.454781 -2.900802 1.801304 ESP Fit Center 1200 is at 0.167811 -2.524240 1.633471 ESP Fit Center 1201 is at -1.399651 -2.944240 1.633471 ESP Fit Center 1202 is at -1.092189 -3.251702 1.633471 ESP Fit Center 1203 is at -0.672189 -3.364240 1.633471 ESP Fit Center 1204 is at -0.252189 -3.251702 1.633471 ESP Fit Center 1205 is at 0.055272 -2.944240 1.633471 ESP Fit Center 1206 is at -1.682196 -3.149610 1.366488 ESP Fit Center 1207 is at -1.388083 -3.472237 1.366488 ESP Fit Center 1208 is at -0.997284 -3.666831 1.366488 ESP Fit Center 1209 is at -0.562580 -3.707112 1.366488 ESP Fit Center 1210 is at -0.142679 -3.587640 1.366488 ESP Fit Center 1211 is at 0.205709 -3.324550 1.366488 ESP Fit Center 1212 is at 0.435531 -2.953374 1.366488 ESP Fit Center 1213 is at -1.738723 -3.513839 1.018549 ESP Fit Center 1214 is at -1.399651 -3.784240 1.018549 ESP Fit Center 1215 is at -0.995940 -3.942685 1.018549 ESP Fit Center 1216 is at -0.563463 -3.975095 1.018549 ESP Fit Center 1217 is at -0.140646 -3.878590 1.018549 ESP Fit Center 1218 is at 0.234940 -3.661745 1.018549 ESP Fit Center 1219 is at 0.529924 -3.343828 1.018549 ESP Fit Center 1220 is at -1.819651 -3.671702 0.613365 ESP Fit Center 1221 is at -1.483567 -3.929588 0.613365 ESP Fit Center 1222 is at -1.092189 -4.091702 0.613365 ESP Fit Center 1223 is at -0.672189 -4.146996 0.613365 ESP Fit Center 1224 is at -0.252189 -4.091702 0.613365 ESP Fit Center 1225 is at 0.139189 -3.929588 0.613365 ESP Fit Center 1226 is at 0.475272 -3.671702 0.613365 ESP Fit Center 1227 is at 0.733158 -3.335618 0.613365 ESP Fit Center 1228 is at -1.743061 -3.818703 0.178549 ESP Fit Center 1229 is at -1.387498 -4.044350 0.178549 ESP Fit Center 1230 is at -0.986990 -4.174483 0.178549 ESP Fit Center 1231 is at -0.566701 -4.200925 0.178549 ESP Fit Center 1232 is at -0.153041 -4.122015 0.178549 ESP Fit Center 1233 is at 0.228000 -3.942711 0.178549 ESP Fit Center 1234 is at 0.552478 -3.674280 0.178549 ESP Fit Center 1235 is at 0.800006 -3.333587 0.178549 ESP Fit Center 1236 is at -1.819651 -3.671702 -0.256267 ESP Fit Center 1237 is at -1.483567 -3.929588 -0.256267 ESP Fit Center 1238 is at -1.092189 -4.091702 -0.256267 ESP Fit Center 1239 is at -0.672189 -4.146996 -0.256267 ESP Fit Center 1240 is at -0.252189 -4.091702 -0.256267 ESP Fit Center 1241 is at 0.139189 -3.929588 -0.256267 ESP Fit Center 1242 is at 0.475272 -3.671702 -0.256267 ESP Fit Center 1243 is at 0.733158 -3.335618 -0.256267 ESP Fit Center 1244 is at -1.738723 -3.513839 -0.661451 ESP Fit Center 1245 is at -1.399651 -3.784240 -0.661451 ESP Fit Center 1246 is at -0.995940 -3.942685 -0.661451 ESP Fit Center 1247 is at -0.563463 -3.975095 -0.661451 ESP Fit Center 1248 is at -0.140646 -3.878590 -0.661451 ESP Fit Center 1249 is at 0.234940 -3.661745 -0.661451 ESP Fit Center 1250 is at 0.529924 -3.343828 -0.661451 ESP Fit Center 1251 is at -1.388083 -3.472237 -1.009391 ESP Fit Center 1252 is at -0.997284 -3.666831 -1.009391 ESP Fit Center 1253 is at -0.562580 -3.707112 -1.009391 ESP Fit Center 1254 is at -0.142679 -3.587640 -1.009391 ESP Fit Center 1255 is at 0.205709 -3.324550 -1.009391 ESP Fit Center 1256 is at 0.435531 -2.953374 -1.009391 ESP Fit Center 1257 is at -1.092189 -3.251702 -1.276374 ESP Fit Center 1258 is at -0.672189 -3.364240 -1.276374 ESP Fit Center 1259 is at -0.252189 -3.251702 -1.276374 ESP Fit Center 1260 is at 0.055272 -2.944240 -1.276374 ESP Fit Center 1261 is at -0.454781 -2.900802 -1.444207 ESP Fit Center 1262 is at 1.318247 2.238131 3.159265 ESP Fit Center 1263 is at 1.753063 2.238131 3.102020 ESP Fit Center 1264 is at 1.535655 2.614693 3.102020 ESP Fit Center 1265 is at 1.100839 2.614693 3.102020 ESP Fit Center 1266 is at 0.883431 2.238131 3.102020 ESP Fit Center 1267 is at 1.100839 1.861570 3.102020 ESP Fit Center 1268 is at 1.535655 1.861570 3.102020 ESP Fit Center 1269 is at 2.158247 2.238131 2.934188 ESP Fit Center 1270 is at 2.045708 2.658131 2.934188 ESP Fit Center 1271 is at 1.738247 2.965593 2.934188 ESP Fit Center 1272 is at 1.318247 3.078131 2.934188 ESP Fit Center 1273 is at 0.898247 1.510670 2.934188 ESP Fit Center 1274 is at 1.318247 1.398131 2.934188 ESP Fit Center 1275 is at 1.738247 1.510670 2.934188 ESP Fit Center 1276 is at 2.045708 1.818131 2.934188 ESP Fit Center 1277 is at 2.506186 2.238131 2.667205 ESP Fit Center 1278 is at 2.425967 2.667265 2.667205 ESP Fit Center 1279 is at 2.196145 3.038441 2.667205 ESP Fit Center 1280 is at 1.847757 3.301531 2.667205 ESP Fit Center 1281 is at 0.993152 1.095541 2.667205 ESP Fit Center 1282 is at 1.427856 1.055260 2.667205 ESP Fit Center 1283 is at 1.847757 1.174732 2.667205 ESP Fit Center 1284 is at 2.196145 1.437822 2.667205 ESP Fit Center 1285 is at 2.425967 1.808998 2.667205 ESP Fit Center 1286 is at 2.773170 2.238131 2.319265 ESP Fit Center 1287 is at 2.708531 2.666977 2.319265 ESP Fit Center 1288 is at 2.520360 3.057719 2.319265 ESP Fit Center 1289 is at 2.225376 3.375636 2.319265 ESP Fit Center 1290 is at 1.849790 3.592481 2.319265 ESP Fit Center 1291 is at 0.994496 0.819687 2.319265 ESP Fit Center 1292 is at 1.849790 0.883782 2.319265 ESP Fit Center 1293 is at 2.225376 1.100627 2.319265 ESP Fit Center 1294 is at 2.520360 1.418544 2.319265 ESP Fit Center 1295 is at 2.708531 1.809286 2.319265 ESP Fit Center 1296 is at 2.941002 2.238131 1.914081 ESP Fit Center 1297 is at 2.885708 2.658131 1.914081 ESP Fit Center 1298 is at 2.723594 3.049509 1.914081 ESP Fit Center 1299 is at 2.465708 3.385593 1.914081 ESP Fit Center 1300 is at 2.129625 3.643479 1.914081 ESP Fit Center 1301 is at 2.723594 1.426754 1.914081 ESP Fit Center 1302 is at 2.885708 1.818131 1.914081 ESP Fit Center 1303 is at 2.998247 2.238131 1.479265 ESP Fit Center 1304 is at 2.945467 2.655931 1.479265 ESP Fit Center 1305 is at 2.790442 3.047478 1.479265 ESP Fit Center 1306 is at 2.542914 3.388171 1.479265 ESP Fit Center 1307 is at 2.218436 3.656602 1.479265 ESP Fit Center 1308 is at 2.945467 1.820332 1.479265 ESP Fit Center 1309 is at 2.941002 2.238131 1.044449 ESP Fit Center 1310 is at 2.885708 2.658131 1.044449 ESP Fit Center 1311 is at 2.723594 3.049509 1.044449 ESP Fit Center 1312 is at 2.465708 3.385593 1.044449 ESP Fit Center 1313 is at 2.885708 1.818131 1.044449 ESP Fit Center 1314 is at 2.773170 2.238131 0.639265 ESP Fit Center 1315 is at 2.708531 2.666977 0.639265 ESP Fit Center 1316 is at 2.520360 3.057719 0.639265 ESP Fit Center 1317 is at 2.787678 2.389450 0.523609 ESP Fit Center 1318 is at 2.675139 2.809450 0.523609 ESP Fit Center 1319 is at 3.135617 2.389450 0.256626 ESP Fit Center 1320 is at 3.055398 2.818583 0.256626 ESP Fit Center 1321 is at 2.825576 3.189760 0.256626 ESP Fit Center 1322 is at 2.477188 3.452850 0.256626 ESP Fit Center 1323 is at 3.055398 1.960317 0.256626 ESP Fit Center 1324 is at 3.402601 2.389450 -0.091313 ESP Fit Center 1325 is at 3.337962 2.818296 -0.091313 ESP Fit Center 1326 is at 3.149791 3.209037 -0.091313 ESP Fit Center 1327 is at 2.854807 3.526955 -0.091313 ESP Fit Center 1328 is at 2.479221 3.743800 -0.091313 ESP Fit Center 1329 is at 2.056404 3.840305 -0.091313 ESP Fit Center 1330 is at 3.337962 1.960604 -0.091313 ESP Fit Center 1331 is at 3.570433 2.389450 -0.496497 ESP Fit Center 1332 is at 3.515139 2.809450 -0.496497 ESP Fit Center 1333 is at 3.353025 3.200828 -0.496497 ESP Fit Center 1334 is at 3.095139 3.536912 -0.496497 ESP Fit Center 1335 is at 2.759056 3.794798 -0.496497 ESP Fit Center 1336 is at 2.367678 3.956912 -0.496497 ESP Fit Center 1337 is at 1.947678 4.012206 -0.496497 ESP Fit Center 1338 is at 1.527678 3.956912 -0.496497 ESP Fit Center 1339 is at 3.353025 1.578073 -0.496497 ESP Fit Center 1340 is at 3.515139 1.969450 -0.496497 ESP Fit Center 1341 is at 3.627678 2.389450 -0.931313 ESP Fit Center 1342 is at 3.574898 2.807249 -0.931313 ESP Fit Center 1343 is at 3.419873 3.198796 -0.931313 ESP Fit Center 1344 is at 3.172345 3.539489 -0.931313 ESP Fit Center 1345 is at 2.847867 3.807921 -0.931313 ESP Fit Center 1346 is at 2.466826 3.987225 -0.931313 ESP Fit Center 1347 is at 2.053166 4.066135 -0.931313 ESP Fit Center 1348 is at 1.632877 4.039693 -0.931313 ESP Fit Center 1349 is at 1.232369 3.909560 -0.931313 ESP Fit Center 1350 is at 3.419873 1.580104 -0.931313 ESP Fit Center 1351 is at 3.574898 1.971651 -0.931313 ESP Fit Center 1352 is at 3.570433 2.389450 -1.366129 ESP Fit Center 1353 is at 3.515139 2.809450 -1.366129 ESP Fit Center 1354 is at 3.353025 3.200828 -1.366129 ESP Fit Center 1355 is at 3.095139 3.536912 -1.366129 ESP Fit Center 1356 is at 2.759056 3.794798 -1.366129 ESP Fit Center 1357 is at 2.367678 3.956912 -1.366129 ESP Fit Center 1358 is at 1.947678 4.012206 -1.366129 ESP Fit Center 1359 is at 1.527678 3.956912 -1.366129 ESP Fit Center 1360 is at 1.136300 3.794798 -1.366129 ESP Fit Center 1361 is at 3.353025 1.578073 -1.366129 ESP Fit Center 1362 is at 3.515139 1.969450 -1.366129 ESP Fit Center 1363 is at 3.402601 2.389450 -1.771313 ESP Fit Center 1364 is at 3.337962 2.818296 -1.771313 ESP Fit Center 1365 is at 3.149791 3.209037 -1.771313 ESP Fit Center 1366 is at 2.854807 3.526955 -1.771313 ESP Fit Center 1367 is at 2.479221 3.743800 -1.771313 ESP Fit Center 1368 is at 2.056404 3.840305 -1.771313 ESP Fit Center 1369 is at 1.623927 3.807895 -1.771313 ESP Fit Center 1370 is at 1.220217 3.649450 -1.771313 ESP Fit Center 1371 is at 3.149791 1.569863 -1.771313 ESP Fit Center 1372 is at 3.337962 1.960604 -1.771313 ESP Fit Center 1373 is at 3.135617 2.389450 -2.119253 ESP Fit Center 1374 is at 3.055398 2.818583 -2.119253 ESP Fit Center 1375 is at 2.825576 3.189760 -2.119253 ESP Fit Center 1376 is at 2.477188 3.452850 -2.119253 ESP Fit Center 1377 is at 2.057287 3.572322 -2.119253 ESP Fit Center 1378 is at 1.622583 3.532041 -2.119253 ESP Fit Center 1379 is at 1.231785 3.337446 -2.119253 ESP Fit Center 1380 is at 0.937672 3.014820 -2.119253 ESP Fit Center 1381 is at 2.825576 1.589141 -2.119253 ESP Fit Center 1382 is at 3.055398 1.960317 -2.119253 ESP Fit Center 1383 is at 2.787678 2.389450 -2.386236 ESP Fit Center 1384 is at 2.675139 2.809450 -2.386236 ESP Fit Center 1385 is at 2.367678 3.116912 -2.386236 ESP Fit Center 1386 is at 1.947678 3.229450 -2.386236 ESP Fit Center 1387 is at 1.527678 3.116912 -2.386236 ESP Fit Center 1388 is at 1.220217 2.809450 -2.386236 ESP Fit Center 1389 is at 2.675139 1.969450 -2.386236 ESP Fit Center 1390 is at 2.382494 2.389450 -2.554069 ESP Fit Center 1391 is at 2.165086 2.766012 -2.554069 ESP Fit Center 1392 is at 1.730270 2.766012 -2.554069 ESP Fit Center 1393 is at 1.512862 2.389450 -2.554069 ESP Fit Center 1394 is at 2.165086 2.012889 -2.554069 ESP Fit Center 1395 is at 1.947678 2.389450 -2.611313 ESP Fit Center 1396 is at -0.320728 1.254861 -2.496882 ESP Fit Center 1397 is at -0.118681 1.604816 -2.605158 ESP Fit Center 1398 is at 0.799780 2.642158 3.456307 ESP Fit Center 1399 is at 0.591402 3.003078 3.456307 ESP Fit Center 1400 is at 1.093900 3.052582 3.348031 ESP Fit Center 1401 is at 0.793448 3.353033 3.348031 ESP Fit Center 1402 is at 0.383024 3.463006 3.348031 ESP Fit Center 1403 is at 0.793448 1.931282 3.348031 ESP Fit Center 1404 is at 1.302277 3.413503 3.171230 ESP Fit Center 1405 is at 0.983024 3.681388 3.171230 ESP Fit Center 1406 is at 0.591402 3.823927 3.171230 ESP Fit Center 1407 is at 0.174646 3.823927 3.171230 ESP Fit Center 1408 is at 0.591402 1.460388 3.171230 ESP Fit Center 1409 is at 1.701129 3.443715 2.931276 ESP Fit Center 1410 is at 1.435992 3.769611 2.931276 ESP Fit Center 1411 is at 1.092762 4.011889 2.931276 ESP Fit Center 1412 is at 0.696894 4.152581 2.931276 ESP Fit Center 1413 is at 0.277747 4.181251 2.931276 ESP Fit Center 1414 is at -0.133591 4.095774 2.931276 ESP Fit Center 1415 is at 0.696894 1.131734 2.931276 ESP Fit Center 1416 is at 1.791402 3.823927 2.635459 ESP Fit Center 1417 is at 1.480904 4.116866 2.635459 ESP Fit Center 1418 is at -0.536229 4.234351 2.635459 ESP Fit Center 1419 is at 0.276124 0.806761 2.635459 ESP Fit Center 1420 is at 0.702277 0.831582 2.635459 ESP Fit Center 1421 is at 2.088949 3.829516 2.292769 ESP Fit Center 1422 is at -0.889214 4.285754 2.292769 ESP Fit Center 1423 is at 2.280271 3.861444 1.913617 ESP Fit Center 1424 is at -1.093859 4.346571 1.913617 ESP Fit Center 1425 is at 2.412001 3.854415 1.509524 ESP Fit Center 1426 is at -1.250329 4.350511 1.509524 ESP Fit Center 1427 is at -1.529119 4.031411 1.509524 ESP Fit Center 1428 is at 2.461485 3.842158 1.092769 ESP Fit Center 1429 is at -1.455483 4.184848 1.092769 ESP Fit Center 1430 is at -1.695437 3.842158 1.092769 ESP Fit Center 1431 is at 2.595851 3.472645 0.676013 ESP Fit Center 1432 is at 2.412001 3.854415 0.676013 ESP Fit Center 1433 is at -1.529119 4.031411 0.676013 ESP Fit Center 1434 is at 2.280271 3.861444 0.271921 ESP Fit Center 1435 is at -1.389732 4.036268 0.271921 ESP Fit Center 1436 is at 2.838962 1.552121 -2.445596 ESP Fit Center 1437 is at 0.060366 0.736252 -2.445596 ESP Fit Center 1438 is at 2.777834 1.126965 -2.445596 ESP Fit Center 1439 is at 2.509092 1.552121 -2.694702 ESP Fit Center 1440 is at 1.007178 2.686314 -2.694702 ESP Fit Center 1441 is at 0.619252 2.493150 -2.694702 ESP Fit Center 1442 is at 0.327301 2.172894 -2.694702 ESP Fit Center 1443 is at 0.170754 1.768800 -2.694702 ESP Fit Center 1444 is at 0.170754 1.335442 -2.694702 ESP Fit Center 1445 is at 0.327301 0.931348 -2.694702 ESP Fit Center 1446 is at 0.619252 0.611093 -2.694702 ESP Fit Center 1447 is at 2.429462 1.126142 -2.694702 ESP Fit Center 1448 is at 2.139065 1.552121 -2.878954 ESP Fit Center 1449 is at 2.030655 1.956712 -2.878954 ESP Fit Center 1450 is at 1.734474 2.252893 -2.878954 ESP Fit Center 1451 is at 1.329884 2.361303 -2.878954 ESP Fit Center 1452 is at 0.925293 2.252893 -2.878954 ESP Fit Center 1453 is at 0.629112 1.956712 -2.878954 ESP Fit Center 1454 is at 0.520702 1.552121 -2.878954 ESP Fit Center 1455 is at 0.629112 1.147531 -2.878954 ESP Fit Center 1456 is at 0.925293 0.851350 -2.878954 ESP Fit Center 1457 is at 1.329884 0.742940 -2.878954 ESP Fit Center 1458 is at 1.734474 0.851350 -2.878954 ESP Fit Center 1459 is at 2.030655 1.147531 -2.878954 ESP Fit Center 1460 is at 1.741483 1.552121 -2.992076 ESP Fit Center 1461 is at 1.535683 1.908576 -2.992076 ESP Fit Center 1462 is at 1.124084 1.908576 -2.992076 ESP Fit Center 1463 is at 0.918285 1.552121 -2.992076 ESP Fit Center 1464 is at 1.124084 1.195666 -2.992076 ESP Fit Center 1465 is at 1.535683 1.195666 -2.992076 ESP Fit Center 1466 is at 1.329884 1.552121 -3.030216 ESP Fit Center 1467 is at -3.278924 -2.386600 2.394038 ESP Fit Center 1468 is at -2.867325 -2.386600 2.355898 ESP Fit Center 1469 is at -3.073124 -2.030145 2.355898 ESP Fit Center 1470 is at -3.484723 -2.030145 2.355898 ESP Fit Center 1471 is at -3.690523 -2.386600 2.355898 ESP Fit Center 1472 is at -3.484723 -2.743055 2.355898 ESP Fit Center 1473 is at -3.073124 -2.743055 2.355898 ESP Fit Center 1474 is at -3.683514 -1.685829 2.242776 ESP Fit Center 1475 is at -3.979695 -1.982009 2.242776 ESP Fit Center 1476 is at -4.088105 -2.386600 2.242776 ESP Fit Center 1477 is at -3.979695 -2.791191 2.242776 ESP Fit Center 1478 is at -3.683514 -3.087372 2.242776 ESP Fit Center 1479 is at -3.278924 -3.195781 2.242776 ESP Fit Center 1480 is at -2.874333 -3.087372 2.242776 ESP Fit Center 1481 is at -2.578152 -2.791191 2.242776 ESP Fit Center 1482 is at -3.989555 -1.445572 2.058524 ESP Fit Center 1483 is at -4.281506 -1.765827 2.058524 ESP Fit Center 1484 is at -4.438053 -2.169921 2.058524 ESP Fit Center 1485 is at -4.438053 -2.603279 2.058524 ESP Fit Center 1486 is at -4.281506 -3.007373 2.058524 ESP Fit Center 1487 is at -3.989555 -3.327628 2.058524 ESP Fit Center 1488 is at -3.601629 -3.520793 2.058524 ESP Fit Center 1489 is at -3.170120 -3.560778 2.058524 ESP Fit Center 1490 is at -2.753305 -3.442184 2.058524 ESP Fit Center 1491 is at -2.407478 -3.181027 2.058524 ESP Fit Center 1492 is at -2.179345 -2.812579 2.058524 ESP Fit Center 1493 is at -4.267160 -1.246115 1.809418 ESP Fit Center 1494 is at -4.548441 -1.570731 1.809418 ESP Fit Center 1495 is at -4.726874 -1.961444 1.809418 ESP Fit Center 1496 is at -4.788002 -2.386600 1.809418 ESP Fit Center 1497 is at -4.726874 -2.811757 1.809418 ESP Fit Center 1498 is at -4.548441 -3.202469 1.809418 ESP Fit Center 1499 is at -4.267160 -3.527085 1.809418 ESP Fit Center 1500 is at -3.905817 -3.759306 1.809418 ESP Fit Center 1501 is at -3.493688 -3.880318 1.809418 ESP Fit Center 1502 is at -3.064159 -3.880318 1.809418 ESP Fit Center 1503 is at -2.652030 -3.759306 1.809418 ESP Fit Center 1504 is at -2.290688 -3.527085 1.809418 ESP Fit Center 1505 is at -2.009406 -3.202469 1.809418 ESP Fit Center 1506 is at -4.505621 -1.086377 1.503939 ESP Fit Center 1507 is at -4.772407 -1.404321 1.503939 ESP Fit Center 1508 is at -4.958679 -1.775219 1.503939 ESP Fit Center 1509 is at -5.054395 -2.179077 1.503939 ESP Fit Center 1510 is at -5.054395 -2.594123 1.503939 ESP Fit Center 1511 is at -4.958679 -2.997981 1.503939 ESP Fit Center 1512 is at -4.772407 -3.368880 1.503939 ESP Fit Center 1513 is at -4.505621 -3.686823 1.503939 ESP Fit Center 1514 is at -4.172703 -3.934671 1.503939 ESP Fit Center 1515 is at -3.791601 -4.099062 1.503939 ESP Fit Center 1516 is at -3.382861 -4.171134 1.503939 ESP Fit Center 1517 is at -2.968517 -4.147002 1.503939 ESP Fit Center 1518 is at -2.570908 -4.027965 1.503939 ESP Fit Center 1519 is at -2.211468 -3.820442 1.503939 ESP Fit Center 1520 is at -1.909574 -3.535621 1.503939 ESP Fit Center 1521 is at -4.901137 -1.207993 1.152492 ESP Fit Center 1522 is at -5.110734 -1.571026 1.152492 ESP Fit Center 1523 is at -5.240272 -1.969703 1.152492 ESP Fit Center 1524 is at -5.284089 -2.386600 1.152492 ESP Fit Center 1525 is at -5.240272 -2.803498 1.152492 ESP Fit Center 1526 is at -5.110734 -3.202175 1.152492 ESP Fit Center 1527 is at -4.901137 -3.565207 1.152492 ESP Fit Center 1528 is at -4.620641 -3.876729 1.152492 ESP Fit Center 1529 is at -4.281506 -4.123125 1.152492 ESP Fit Center 1530 is at -3.898554 -4.293626 1.152492 ESP Fit Center 1531 is at -3.488521 -4.380781 1.152492 ESP Fit Center 1532 is at -3.069327 -4.380781 1.152492 ESP Fit Center 1533 is at -2.659293 -4.293626 1.152492 ESP Fit Center 1534 is at -2.276341 -4.123125 1.152492 ESP Fit Center 1535 is at -1.937206 -3.876729 1.152492 ESP Fit Center 1536 is at -5.269412 -1.562113 0.767043 ESP Fit Center 1537 is at -5.392015 -1.966280 0.767043 ESP Fit Center 1538 is at -5.433413 -2.386600 0.767043 ESP Fit Center 1539 is at -5.392015 -2.806920 0.767043 ESP Fit Center 1540 is at -5.269412 -3.211088 0.767043 ESP Fit Center 1541 is at -5.070316 -3.583570 0.767043 ESP Fit Center 1542 is at -4.802378 -3.910054 0.767043 ESP Fit Center 1543 is at -4.475894 -4.177993 0.767043 ESP Fit Center 1544 is at -4.103411 -4.377089 0.767043 ESP Fit Center 1545 is at -3.699244 -4.499692 0.767043 ESP Fit Center 1546 is at -3.278924 -4.541090 0.767043 ESP Fit Center 1547 is at -2.858604 -4.499692 0.767043 ESP Fit Center 1548 is at -2.454436 -4.377089 0.767043 ESP Fit Center 1549 is at -2.081953 -4.177993 0.767043 ESP Fit Center 1550 is at -5.261422 -1.364551 0.360719 ESP Fit Center 1551 is at -5.419019 -1.758211 0.360719 ESP Fit Center 1552 is at -5.499269 -2.174583 0.360719 ESP Fit Center 1553 is at -5.499269 -2.598617 0.360719 ESP Fit Center 1554 is at -5.419019 -3.014989 0.360719 ESP Fit Center 1555 is at -5.261422 -3.408649 0.360719 ESP Fit Center 1556 is at -5.032171 -3.765369 0.360719 ESP Fit Center 1557 is at -4.739554 -4.072258 0.360719 ESP Fit Center 1558 is at -4.394146 -4.318222 0.360719 ESP Fit Center 1559 is at -4.008431 -4.494372 0.360719 ESP Fit Center 1560 is at -3.596349 -4.594342 0.360719 ESP Fit Center 1561 is at -3.172795 -4.614518 0.360719 ESP Fit Center 1562 is at -2.753076 -4.554172 0.360719 ESP Fit Center 1563 is at -2.352363 -4.415484 0.360719 ESP Fit Center 1564 is at -1.985139 -4.203467 0.360719 ESP Fit Center 1565 is at -5.419019 -1.758211 -0.052643 ESP Fit Center 1566 is at -5.499269 -2.174583 -0.052643 ESP Fit Center 1567 is at -5.499269 -2.598617 -0.052643 ESP Fit Center 1568 is at -5.419019 -3.014989 -0.052643 ESP Fit Center 1569 is at -5.261422 -3.408649 -0.052643 ESP Fit Center 1570 is at -5.032171 -3.765369 -0.052643 ESP Fit Center 1571 is at -4.739554 -4.072258 -0.052643 ESP Fit Center 1572 is at -4.394146 -4.318222 -0.052643 ESP Fit Center 1573 is at -4.008431 -4.494372 -0.052643 ESP Fit Center 1574 is at -3.596349 -4.594342 -0.052643 ESP Fit Center 1575 is at -3.172795 -4.614518 -0.052643 ESP Fit Center 1576 is at -2.753076 -4.554172 -0.052643 ESP Fit Center 1577 is at -2.352363 -4.415484 -0.052643 ESP Fit Center 1578 is at -1.985139 -4.203467 -0.052643 ESP Fit Center 1579 is at -5.269412 -1.562113 -0.458967 ESP Fit Center 1580 is at -5.392015 -1.966280 -0.458967 ESP Fit Center 1581 is at -5.433413 -2.386600 -0.458967 ESP Fit Center 1582 is at -5.392015 -2.806920 -0.458967 ESP Fit Center 1583 is at -5.269412 -3.211088 -0.458967 ESP Fit Center 1584 is at -5.070316 -3.583570 -0.458967 ESP Fit Center 1585 is at -4.802378 -3.910054 -0.458967 ESP Fit Center 1586 is at -4.475894 -4.177993 -0.458967 ESP Fit Center 1587 is at -4.103411 -4.377089 -0.458967 ESP Fit Center 1588 is at -3.699244 -4.499692 -0.458967 ESP Fit Center 1589 is at -3.278924 -4.541090 -0.458967 ESP Fit Center 1590 is at -2.858604 -4.499692 -0.458967 ESP Fit Center 1591 is at -2.454436 -4.377089 -0.458967 ESP Fit Center 1592 is at -2.081953 -4.177993 -0.458967 ESP Fit Center 1593 is at -5.110734 -1.571026 -0.844416 ESP Fit Center 1594 is at -5.240272 -1.969703 -0.844416 ESP Fit Center 1595 is at -5.284089 -2.386600 -0.844416 ESP Fit Center 1596 is at -5.240272 -2.803498 -0.844416 ESP Fit Center 1597 is at -5.110734 -3.202175 -0.844416 ESP Fit Center 1598 is at -4.901137 -3.565207 -0.844416 ESP Fit Center 1599 is at -4.620641 -3.876729 -0.844416 ESP Fit Center 1600 is at -4.281506 -4.123125 -0.844416 ESP Fit Center 1601 is at -3.898554 -4.293626 -0.844416 ESP Fit Center 1602 is at -3.488521 -4.380781 -0.844416 ESP Fit Center 1603 is at -3.069327 -4.380781 -0.844416 ESP Fit Center 1604 is at -2.659293 -4.293626 -0.844416 ESP Fit Center 1605 is at -2.276341 -4.123125 -0.844416 ESP Fit Center 1606 is at -1.937206 -3.876729 -0.844416 ESP Fit Center 1607 is at -4.772407 -1.404321 -1.195864 ESP Fit Center 1608 is at -4.958679 -1.775219 -1.195864 ESP Fit Center 1609 is at -5.054395 -2.179077 -1.195864 ESP Fit Center 1610 is at -5.054395 -2.594123 -1.195864 ESP Fit Center 1611 is at -4.958679 -2.997981 -1.195864 ESP Fit Center 1612 is at -4.772407 -3.368880 -1.195864 ESP Fit Center 1613 is at -4.505621 -3.686823 -1.195864 ESP Fit Center 1614 is at -4.172703 -3.934671 -1.195864 ESP Fit Center 1615 is at -3.791601 -4.099062 -1.195864 ESP Fit Center 1616 is at -3.382861 -4.171134 -1.195864 ESP Fit Center 1617 is at -2.968517 -4.147002 -1.195864 ESP Fit Center 1618 is at -2.570908 -4.027965 -1.195864 ESP Fit Center 1619 is at -2.211468 -3.820442 -1.195864 ESP Fit Center 1620 is at -1.909574 -3.535621 -1.195864 ESP Fit Center 1621 is at -4.548441 -1.570731 -1.501342 ESP Fit Center 1622 is at -4.726874 -1.961444 -1.501342 ESP Fit Center 1623 is at -4.788002 -2.386600 -1.501342 ESP Fit Center 1624 is at -4.726874 -2.811757 -1.501342 ESP Fit Center 1625 is at -4.548441 -3.202469 -1.501342 ESP Fit Center 1626 is at -4.267160 -3.527085 -1.501342 ESP Fit Center 1627 is at -3.905817 -3.759306 -1.501342 ESP Fit Center 1628 is at -3.493688 -3.880318 -1.501342 ESP Fit Center 1629 is at -3.064159 -3.880318 -1.501342 ESP Fit Center 1630 is at -2.652030 -3.759306 -1.501342 ESP Fit Center 1631 is at -2.290688 -3.527085 -1.501342 ESP Fit Center 1632 is at -4.281506 -1.765827 -1.750449 ESP Fit Center 1633 is at -4.438053 -2.169921 -1.750449 ESP Fit Center 1634 is at -4.438053 -2.603279 -1.750449 ESP Fit Center 1635 is at -4.281506 -3.007373 -1.750449 ESP Fit Center 1636 is at -3.989555 -3.327628 -1.750449 ESP Fit Center 1637 is at -3.601629 -3.520793 -1.750449 ESP Fit Center 1638 is at -3.170120 -3.560778 -1.750449 ESP Fit Center 1639 is at -2.753305 -3.442184 -1.750449 ESP Fit Center 1640 is at -2.407478 -3.181027 -1.750449 ESP Fit Center 1641 is at -3.979695 -1.982009 -1.934700 ESP Fit Center 1642 is at -4.088105 -2.386600 -1.934700 ESP Fit Center 1643 is at -3.979695 -2.791191 -1.934700 ESP Fit Center 1644 is at -3.683514 -3.087372 -1.934700 ESP Fit Center 1645 is at -3.278924 -3.195781 -1.934700 ESP Fit Center 1646 is at -2.874333 -3.087372 -1.934700 ESP Fit Center 1647 is at -2.578152 -2.791191 -1.934700 ESP Fit Center 1648 is at -3.484723 -2.030145 -2.047822 ESP Fit Center 1649 is at -3.690523 -2.386600 -2.047822 ESP Fit Center 1650 is at -3.484723 -2.743055 -2.047822 ESP Fit Center 1651 is at -3.073124 -2.743055 -2.047822 ESP Fit Center 1652 is at -3.278924 -2.386600 -2.085962 ESP Fit Center 1653 is at -2.479338 -1.448970 2.466154 ESP Fit Center 1654 is at -2.062583 -1.448970 2.429693 ESP Fit Center 1655 is at -2.270960 -1.088049 2.429693 ESP Fit Center 1656 is at -2.687716 -1.088049 2.429693 ESP Fit Center 1657 is at -2.896094 -1.448970 2.429693 ESP Fit Center 1658 is at -2.687716 -1.809891 2.429693 ESP Fit Center 1659 is at -2.270960 -1.809891 2.429693 ESP Fit Center 1660 is at -1.768463 -1.038546 2.321417 ESP Fit Center 1661 is at -2.068914 -0.738095 2.321417 ESP Fit Center 1662 is at -2.479338 -0.628122 2.321417 ESP Fit Center 1663 is at -2.889762 -0.738095 2.321417 ESP Fit Center 1664 is at -3.190214 -1.038546 2.321417 ESP Fit Center 1665 is at -3.300187 -1.448970 2.321417 ESP Fit Center 1666 is at -2.479338 -2.269819 2.321417 ESP Fit Center 1667 is at -2.068914 -2.159846 2.321417 ESP Fit Center 1668 is at -1.879338 -0.409740 2.144615 ESP Fit Center 1669 is at -3.606969 -1.038546 2.144615 ESP Fit Center 1670 is at -2.270960 -2.630740 2.144615 ESP Fit Center 1671 is at -1.879338 -2.488201 2.144615 ESP Fit Center 1672 is at -2.165469 -2.959394 -1.772352 ESP Fit Center 1673 is at -3.679338 -1.448970 -2.012307 ESP Fit Center 1674 is at -3.606969 -1.859394 -2.012307 ESP Fit Center 1675 is at -2.687716 -2.630740 -2.012307 ESP Fit Center 1676 is at -2.270960 -2.630740 -2.012307 ESP Fit Center 1677 is at -1.879338 -2.488201 -2.012307 ESP Fit Center 1678 is at -1.768463 -1.038546 -2.189108 ESP Fit Center 1679 is at -3.300187 -1.448970 -2.189108 ESP Fit Center 1680 is at -3.190214 -1.859394 -2.189108 ESP Fit Center 1681 is at -2.889762 -2.159846 -2.189108 ESP Fit Center 1682 is at -2.479338 -2.269819 -2.189108 ESP Fit Center 1683 is at -2.068914 -2.159846 -2.189108 ESP Fit Center 1684 is at -1.768463 -1.859394 -2.189108 ESP Fit Center 1685 is at -2.062583 -1.448970 -2.297384 ESP Fit Center 1686 is at -2.270960 -1.088049 -2.297384 ESP Fit Center 1687 is at -2.687716 -1.088049 -2.297384 ESP Fit Center 1688 is at -2.896094 -1.448970 -2.297384 ESP Fit Center 1689 is at -2.687716 -1.809891 -2.297384 ESP Fit Center 1690 is at -2.270960 -1.809891 -2.297384 ESP Fit Center 1691 is at -2.479338 -1.448970 -2.333846 ESP Fit Center 1692 is at -2.927815 -0.151012 2.346199 ESP Fit Center 1693 is at -2.511060 -0.151012 2.309738 ESP Fit Center 1694 is at -2.719437 0.209909 2.309738 ESP Fit Center 1695 is at -3.136193 0.209909 2.309738 ESP Fit Center 1696 is at -3.344571 -0.151012 2.309738 ESP Fit Center 1697 is at -3.136193 -0.511933 2.309738 ESP Fit Center 1698 is at -2.719437 -0.511933 2.309738 ESP Fit Center 1699 is at -2.106967 -0.151012 2.201462 ESP Fit Center 1700 is at -2.216940 0.259412 2.201462 ESP Fit Center 1701 is at -2.517391 0.559864 2.201462 ESP Fit Center 1702 is at -2.927815 0.669837 2.201462 ESP Fit Center 1703 is at -3.338239 0.559864 2.201462 ESP Fit Center 1704 is at -3.638691 0.259412 2.201462 ESP Fit Center 1705 is at -3.748663 -0.151012 2.201462 ESP Fit Center 1706 is at -3.638691 -0.561436 2.201462 ESP Fit Center 1707 is at -1.727815 -0.151012 2.024660 ESP Fit Center 1708 is at -3.527815 0.888219 2.024660 ESP Fit Center 1709 is at -3.847068 0.620333 2.024660 ESP Fit Center 1710 is at -4.055446 0.259412 2.024660 ESP Fit Center 1711 is at -4.127815 -0.151012 2.024660 ESP Fit Center 1712 is at 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-0.151012 -2.132262 ESP Fit Center 1731 is at -4.055446 -0.561436 -2.132262 ESP Fit Center 1732 is at -3.847068 -0.922357 -2.132262 ESP Fit Center 1733 is at -3.527815 -1.190242 -2.132262 ESP Fit Center 1734 is at -1.800184 -0.561436 -2.132262 ESP Fit Center 1735 is at -2.106967 -0.151012 -2.309063 ESP Fit Center 1736 is at -3.338239 0.559864 -2.309063 ESP Fit Center 1737 is at -3.638691 0.259412 -2.309063 ESP Fit Center 1738 is at -3.748663 -0.151012 -2.309063 ESP Fit Center 1739 is at -3.638691 -0.561436 -2.309063 ESP Fit Center 1740 is at -3.338239 -0.861887 -2.309063 ESP Fit Center 1741 is at -2.927815 -0.971860 -2.309063 ESP Fit Center 1742 is at -2.517391 -0.861887 -2.309063 ESP Fit Center 1743 is at -2.216940 -0.561436 -2.309063 ESP Fit Center 1744 is at -2.511060 -0.151012 -2.417339 ESP Fit Center 1745 is at -2.719437 0.209909 -2.417339 ESP Fit Center 1746 is at -3.136193 0.209909 -2.417339 ESP Fit Center 1747 is at -3.344571 -0.151012 -2.417339 ESP Fit Center 1748 is at 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-2.410877 ESP Fit Center 1767 is at -2.855831 1.397856 -2.410877 ESP Fit Center 1768 is at -2.965803 0.987432 -2.410877 ESP Fit Center 1769 is at -2.855831 0.577008 -2.410877 ESP Fit Center 1770 is at -2.555379 0.276556 -2.410877 ESP Fit Center 1771 is at -2.144955 0.166583 -2.410877 ESP Fit Center 1772 is at -1.734531 0.276556 -2.410877 ESP Fit Center 1773 is at -1.728199 0.987432 -2.519153 ESP Fit Center 1774 is at -1.936577 1.348353 -2.519153 ESP Fit Center 1775 is at -2.353333 1.348353 -2.519153 ESP Fit Center 1776 is at -2.561711 0.987432 -2.519153 ESP Fit Center 1777 is at -2.353333 0.626511 -2.519153 ESP Fit Center 1778 is at -1.936577 0.626511 -2.519153 ESP Fit Center 1779 is at -2.144955 0.987432 -2.555615 ESP Fit Center 1780 is at -2.639229 2.094109 1.976930 ESP Fit Center 1781 is at -2.433430 2.450565 1.938790 ESP Fit Center 1782 is at -2.845029 2.450565 1.938790 ESP Fit Center 1783 is at -3.050828 2.094109 1.938790 ESP Fit Center 1784 is at -2.639229 2.903291 1.825668 ESP Fit Center 1785 is at -3.043820 2.794881 1.825668 ESP Fit Center 1786 is at -3.340001 2.498700 1.825668 ESP Fit Center 1787 is at -3.448411 2.094109 1.825668 ESP Fit Center 1788 is at -3.340001 1.689519 1.825668 ESP Fit Center 1789 is at -2.530426 3.268287 1.641417 ESP Fit Center 1790 is at -2.961935 3.228302 1.641417 ESP Fit Center 1791 is at -3.349861 3.035138 1.641417 ESP Fit Center 1792 is at -3.641812 2.714883 1.641417 ESP Fit Center 1793 is at -3.798359 2.310788 1.641417 ESP Fit Center 1794 is at -3.798359 1.877431 1.641417 ESP Fit Center 1795 is at -2.012336 3.466815 1.392310 ESP Fit Center 1796 is at -2.424465 3.587827 1.392310 ESP Fit Center 1797 is at -2.853994 3.587827 1.392310 ESP Fit Center 1798 is at -3.266123 3.466815 1.392310 ESP Fit Center 1799 is at -3.627465 3.234595 1.392310 ESP Fit Center 1800 is at -3.908747 2.909979 1.392310 ESP Fit Center 1801 is at -4.087179 2.519266 1.392310 ESP Fit Center 1802 is at -4.148308 2.094109 1.392310 ESP Fit Center 1803 is at -4.087179 1.668953 1.392310 ESP Fit Center 1804 is at -1.931214 3.735475 1.086832 ESP Fit Center 1805 is at -2.328823 3.854511 1.086832 ESP Fit Center 1806 is at -2.743167 3.878644 1.086832 ESP Fit Center 1807 is at -3.151907 3.806572 1.086832 ESP Fit Center 1808 is at -3.533009 3.642181 1.086832 ESP Fit Center 1809 is at -3.865926 3.394332 1.086832 ESP Fit Center 1810 is at -4.132713 3.076389 1.086832 ESP Fit Center 1811 is at -4.318985 2.705491 1.086832 ESP Fit Center 1812 is at -4.414701 2.301632 1.086832 ESP Fit Center 1813 is at -4.414701 1.886587 1.086832 ESP Fit Center 1814 is at -4.318985 1.482728 1.086832 ESP Fit Center 1815 is at -2.019599 4.001135 0.735384 ESP Fit Center 1816 is at -2.429632 4.088291 0.735384 ESP Fit Center 1817 is at -2.848826 4.088291 0.735384 ESP Fit Center 1818 is at -3.258860 4.001135 0.735384 ESP Fit Center 1819 is at -3.641812 3.830634 0.735384 ESP Fit Center 1820 is at -3.980947 3.584238 0.735384 ESP Fit Center 1821 is at -4.261442 3.272716 0.735384 ESP Fit Center 1822 is at -4.471039 2.909684 0.735384 ESP Fit Center 1823 is at -4.600577 2.511007 0.735384 ESP Fit Center 1824 is at -4.644395 2.094109 0.735384 ESP Fit Center 1825 is at -4.600577 1.677212 0.735384 ESP Fit Center 1826 is at -1.814742 4.084598 0.349935 ESP Fit Center 1827 is at -2.218909 4.207201 0.349935 ESP Fit Center 1828 is at -2.639229 4.248599 0.349935 ESP Fit Center 1829 is at -3.059549 4.207201 0.349935 ESP Fit Center 1830 is at -3.463717 4.084598 0.349935 ESP Fit Center 1831 is at -3.836199 3.885502 0.349935 ESP Fit Center 1832 is at -4.162683 3.617564 0.349935 ESP Fit Center 1833 is at -4.430622 3.291080 0.349935 ESP Fit Center 1834 is at -4.629718 2.918597 0.349935 ESP Fit Center 1835 is at -4.752321 2.514430 0.349935 ESP Fit Center 1836 is at -4.793719 2.094109 0.349935 ESP Fit Center 1837 is at -1.712669 4.122993 -0.056388 ESP Fit Center 1838 is at -2.113382 4.261681 -0.056388 ESP Fit Center 1839 is at -2.533100 4.322028 -0.056388 ESP Fit Center 1840 is at -2.956655 4.301851 -0.056388 ESP Fit Center 1841 is at -3.368736 4.201881 -0.056388 ESP Fit Center 1842 is at -3.754452 4.025731 -0.056388 ESP Fit Center 1843 is at -4.099860 3.779767 -0.056388 ESP Fit Center 1844 is at -4.392477 3.472879 -0.056388 ESP Fit Center 1845 is at -4.621727 3.116158 -0.056388 ESP Fit Center 1846 is at -4.779325 2.722498 -0.056388 ESP Fit Center 1847 is at -4.859574 2.306127 -0.056388 ESP Fit Center 1848 is at -4.859574 1.882092 -0.056388 ESP Fit Center 1849 is at -1.712669 4.122993 -0.469751 ESP Fit Center 1850 is at -2.113382 4.261681 -0.469751 ESP Fit Center 1851 is at -2.533100 4.322028 -0.469751 ESP Fit Center 1852 is at -2.956655 4.301851 -0.469751 ESP Fit Center 1853 is at -3.368736 4.201881 -0.469751 ESP Fit Center 1854 is at -3.754452 4.025731 -0.469751 ESP Fit Center 1855 is at -4.099860 3.779767 -0.469751 ESP Fit Center 1856 is at -4.392477 3.472879 -0.469751 ESP Fit Center 1857 is at -4.621727 3.116158 -0.469751 ESP Fit Center 1858 is at -4.779325 2.722498 -0.469751 ESP Fit Center 1859 is at -4.859574 2.306127 -0.469751 ESP Fit Center 1860 is at -4.859574 1.882092 -0.469751 ESP Fit Center 1861 is at -1.814742 4.084598 -0.876075 ESP Fit Center 1862 is at -2.218909 4.207201 -0.876075 ESP Fit Center 1863 is at -2.639229 4.248599 -0.876075 ESP Fit Center 1864 is at -3.059549 4.207201 -0.876075 ESP Fit Center 1865 is at -3.463717 4.084598 -0.876075 ESP Fit Center 1866 is at -3.836199 3.885502 -0.876075 ESP Fit Center 1867 is at -4.162683 3.617564 -0.876075 ESP Fit Center 1868 is at -4.430622 3.291080 -0.876075 ESP Fit Center 1869 is at -4.629718 2.918597 -0.876075 ESP Fit Center 1870 is at -4.752321 2.514430 -0.876075 ESP Fit Center 1871 is at -4.793719 2.094109 -0.876075 ESP Fit Center 1872 is at -4.752321 1.673789 -0.876075 ESP Fit Center 1873 is at -2.019599 4.001135 -1.261524 ESP Fit Center 1874 is at -2.429632 4.088291 -1.261524 ESP Fit Center 1875 is at -2.848826 4.088291 -1.261524 ESP Fit Center 1876 is at -3.258860 4.001135 -1.261524 ESP Fit Center 1877 is at -3.641812 3.830634 -1.261524 ESP Fit Center 1878 is at -3.980947 3.584238 -1.261524 ESP Fit Center 1879 is at -4.261442 3.272716 -1.261524 ESP Fit Center 1880 is at -4.471039 2.909684 -1.261524 ESP Fit Center 1881 is at -4.600577 2.511007 -1.261524 ESP Fit Center 1882 is at -4.644395 2.094109 -1.261524 ESP Fit Center 1883 is at -4.600577 1.677212 -1.261524 ESP Fit Center 1884 is at -1.931214 3.735475 -1.612971 ESP Fit Center 1885 is at -2.328823 3.854511 -1.612971 ESP Fit Center 1886 is at -2.743167 3.878644 -1.612971 ESP Fit Center 1887 is at -3.151907 3.806572 -1.612971 ESP Fit Center 1888 is at -3.533009 3.642181 -1.612971 ESP Fit Center 1889 is at -3.865926 3.394332 -1.612971 ESP Fit Center 1890 is at -4.132713 3.076389 -1.612971 ESP Fit Center 1891 is at -4.318985 2.705491 -1.612971 ESP Fit Center 1892 is at -4.414701 2.301632 -1.612971 ESP Fit Center 1893 is at -4.414701 1.886587 -1.612971 ESP Fit Center 1894 is at -4.318985 1.482728 -1.612971 ESP Fit Center 1895 is at -2.012336 3.466815 -1.918450 ESP Fit Center 1896 is at -2.424465 3.587827 -1.918450 ESP Fit Center 1897 is at -2.853994 3.587827 -1.918450 ESP Fit Center 1898 is at -3.266123 3.466815 -1.918450 ESP Fit Center 1899 is at -3.627465 3.234595 -1.918450 ESP Fit Center 1900 is at -3.908747 2.909979 -1.918450 ESP Fit Center 1901 is at -4.087179 2.519266 -1.918450 ESP Fit Center 1902 is at -4.148308 2.094109 -1.918450 ESP Fit Center 1903 is at -4.087179 1.668953 -1.918450 ESP Fit Center 1904 is at -3.908747 1.278240 -1.918450 ESP Fit Center 1905 is at -2.113611 3.149693 -2.167556 ESP Fit Center 1906 is at -2.530426 3.268287 -2.167556 ESP Fit Center 1907 is at -2.961935 3.228302 -2.167556 ESP Fit Center 1908 is at -3.349861 3.035138 -2.167556 ESP Fit Center 1909 is at -3.641812 2.714883 -2.167556 ESP Fit Center 1910 is at -3.798359 2.310788 -2.167556 ESP Fit Center 1911 is at -3.798359 1.877431 -2.167556 ESP Fit Center 1912 is at -3.641812 1.473336 -2.167556 ESP Fit Center 1913 is at -1.830048 2.094109 -2.351807 ESP Fit Center 1914 is at -1.938458 2.498700 -2.351807 ESP Fit Center 1915 is at -2.234639 2.794881 -2.351807 ESP Fit Center 1916 is at -2.639229 2.903291 -2.351807 ESP Fit Center 1917 is at -3.043820 2.794881 -2.351807 ESP Fit Center 1918 is at -3.340001 2.498700 -2.351807 ESP Fit Center 1919 is at -3.448411 2.094109 -2.351807 ESP Fit Center 1920 is at -3.340001 1.689519 -2.351807 ESP Fit Center 1921 is at -3.043820 1.393338 -2.351807 ESP Fit Center 1922 is at -2.227630 2.094109 -2.464929 ESP Fit Center 1923 is at -2.433430 2.450565 -2.464929 ESP Fit Center 1924 is at -2.845029 2.450565 -2.464929 ESP Fit Center 1925 is at -3.050828 2.094109 -2.464929 ESP Fit Center 1926 is at -2.845029 1.737654 -2.464929 ESP Fit Center 1927 is at -2.433430 1.737654 -2.464929 ESP Fit Center 1928 is at -2.639229 2.094109 -2.503070 ESP Fit Center 1929 is at -1.003194 0.409911 2.228182 ESP Fit Center 1930 is at -0.586439 0.409911 2.228182 ESP Fit Center 1931 is at -1.505692 0.360408 2.119906 ESP Fit Center 1932 is at -1.394817 -0.268399 -2.213818 ESP Fit Center 1933 is at -1.205241 1.481707 -2.390619 ESP Fit Center 1934 is at -1.505692 0.360408 -2.390619 ESP Fit Center 1935 is at -1.205241 0.059956 -2.390619 ESP Fit Center 1936 is at -0.794817 -0.050017 -2.390619 ESP Fit Center 1937 is at -0.384392 0.059956 -2.390619 ESP Fit Center 1938 is at -0.083941 0.360408 -2.390619 ESP Fit Center 1939 is at -0.378061 0.770832 -2.498895 ESP Fit Center 1940 is at -0.586439 1.131753 -2.498895 ESP Fit Center 1941 is at -1.003194 1.131753 -2.498895 ESP Fit Center 1942 is at -1.211572 0.770832 -2.498895 ESP Fit Center 1943 is at -1.003194 0.409911 -2.498895 ESP Fit Center 1944 is at -0.586439 0.409911 -2.498895 ESP Fit Center 1945 is at -0.794817 0.770832 -2.535357 ESP Fit Center 1946 is at -0.464047 -0.124912 2.350712 ESP Fit Center 1947 is at -0.672424 -0.485833 2.350712 ESP Fit Center 1948 is at -0.464047 -0.846754 2.350712 ESP Fit Center 1949 is at -0.255669 0.335015 2.242436 ESP Fit Center 1950 is at -0.666093 0.225043 2.242436 ESP Fit Center 1951 is at -0.966544 -0.075409 2.242436 ESP Fit Center 1952 is at -1.076517 -0.485833 2.242436 ESP Fit Center 1953 is at -1.383300 -0.075409 2.065635 ESP Fit Center 1954 is at -1.455669 -0.485833 -2.091287 ESP Fit Center 1955 is at -1.076517 -0.485833 -2.268088 ESP Fit Center 1956 is at -0.966544 -0.896257 -2.268088 ESP Fit Center 1957 is at -0.666093 -1.196708 -2.268088 ESP Fit Center 1958 is at -0.464047 -0.124912 -2.376365 ESP Fit Center 1959 is at -0.672424 -0.485833 -2.376365 ESP Fit Center 1960 is at -0.464047 -0.846754 -2.376365 ESP Fit Center 1961 is at -0.255669 -0.485833 -2.412826 ESP Fit Center 1962 is at -1.038413 -1.565403 2.487596 ESP Fit Center 1963 is at -0.621658 -1.565403 2.451135 ESP Fit Center 1964 is at -0.830035 -1.204482 2.451135 ESP Fit Center 1965 is at -1.246791 -1.204482 2.451135 ESP Fit Center 1966 is at -1.455169 -1.565403 2.451135 ESP Fit Center 1967 is at -1.246791 -1.926324 2.451135 ESP Fit Center 1968 is at -0.830035 -1.926324 2.451135 ESP Fit Center 1969 is at -0.217565 -1.565403 2.342859 ESP Fit Center 1970 is at -0.327538 -1.154979 2.342859 ESP Fit Center 1971 is at -0.627989 -0.854528 2.342859 ESP Fit Center 1972 is at -1.038413 -0.744555 2.342859 ESP Fit Center 1973 is at -1.448837 -0.854528 2.342859 ESP Fit Center 1974 is at -1.749289 -1.154979 2.342859 ESP Fit Center 1975 is at -1.749289 -1.975828 2.342859 ESP Fit Center 1976 is at -1.448837 -2.276279 2.342859 ESP Fit Center 1977 is at -1.038413 -2.386252 2.342859 ESP Fit Center 1978 is at -0.627989 -2.276279 2.342859 ESP Fit Center 1979 is at -0.327538 -1.975828 2.342859 ESP Fit Center 1980 is at -1.638413 -0.526173 2.166057 ESP Fit Center 1981 is at -1.638413 -2.604634 2.166057 ESP Fit Center 1982 is at -1.246791 -2.747173 2.166057 ESP Fit Center 1983 is at -0.830035 -2.747173 2.166057 ESP Fit Center 1984 is at -0.438413 -2.604634 2.166057 ESP Fit Center 1985 is at -0.119160 -2.336749 2.166057 ESP Fit Center 1986 is at -1.555029 -3.019020 1.926103 ESP Fit Center 1987 is at -1.565703 -3.326674 -1.455094 ESP Fit Center 1988 is at -1.555029 -3.019020 -1.750910 ESP Fit Center 1989 is at -1.143690 -3.104497 -1.750910 ESP Fit Center 1990 is at -0.724544 -3.075827 -1.750910 ESP Fit Center 1991 is at -0.328675 -2.935135 -1.750910 ESP Fit Center 1992 is at 0.014555 -2.692857 -1.750910 ESP Fit Center 1993 is at -1.638413 -2.604634 -1.990865 ESP Fit Center 1994 is at -1.246791 -2.747173 -1.990865 ESP Fit Center 1995 is at -0.830035 -2.747173 -1.990865 ESP Fit Center 1996 is at -0.438413 -2.604634 -1.990865 ESP Fit Center 1997 is at -0.119160 -2.336749 -1.990865 ESP Fit Center 1998 is at -1.448837 -0.854528 -2.167666 ESP Fit Center 1999 is at -1.749289 -1.975828 -2.167666 ESP Fit Center 2000 is at -1.448837 -2.276279 -2.167666 ESP Fit Center 2001 is at -1.038413 -2.386252 -2.167666 ESP Fit Center 2002 is at -0.627989 -2.276279 -2.167666 ESP Fit Center 2003 is at -0.327538 -1.975828 -2.167666 ESP Fit Center 2004 is at -0.621658 -1.565403 -2.275942 ESP Fit Center 2005 is at -0.830035 -1.204482 -2.275942 ESP Fit Center 2006 is at -1.246791 -1.204482 -2.275942 ESP Fit Center 2007 is at -1.455169 -1.565403 -2.275942 ESP Fit Center 2008 is at -1.246791 -1.926324 -2.275942 ESP Fit Center 2009 is at -0.830035 -1.926324 -2.275942 ESP Fit Center 2010 is at -1.038413 -1.565403 -2.312404 ESP Fit Center 2011 is at -0.977852 4.277070 -0.115112 ESP Fit Center 2012 is at -1.347108 4.083270 -0.115112 ESP Fit Center 2013 is at -0.364435 4.531484 -0.520928 ESP Fit Center 2014 is at -0.780964 4.484553 -0.520928 ESP Fit Center 2015 is at -1.176606 4.346112 -0.520928 ESP Fit Center 2016 is at -1.531522 4.123103 -0.520928 ESP Fit Center 2017 is at 0.878546 4.122974 -0.948168 ESP Fit Center 2018 is at 0.534909 4.355966 -0.948168 ESP Fit Center 2019 is at 0.149219 4.509639 -0.948168 ESP Fit Center 2020 is at -0.260489 4.576807 -0.948168 ESP Fit Center 2021 is at -0.675057 4.554330 -0.948168 ESP Fit Center 2022 is at -1.075101 4.443258 -0.948168 ESP Fit Center 2023 is at -1.441914 4.248786 -0.948168 ESP Fit Center 2024 is at 0.802651 4.123103 -1.375408 ESP Fit Center 2025 is at 0.447735 4.346112 -1.375408 ESP Fit Center 2026 is at 0.052093 4.484553 -1.375408 ESP Fit Center 2027 is at -0.364435 4.531484 -1.375408 ESP Fit Center 2028 is at -0.780964 4.484553 -1.375408 ESP Fit Center 2029 is at -1.176606 4.346112 -1.375408 ESP Fit Center 2030 is at -1.531522 4.123103 -1.375408 ESP Fit Center 2031 is at 0.930384 3.806732 -1.781225 ESP Fit Center 2032 is at 0.618237 4.083270 -1.781225 ESP Fit Center 2033 is at 0.248982 4.277070 -1.781225 ESP Fit Center 2034 is at -0.155924 4.376870 -1.781225 ESP Fit Center 2035 is at -0.572947 4.376870 -1.781225 ESP Fit Center 2036 is at -0.977852 4.277070 -1.781225 ESP Fit Center 2037 is at -1.347108 4.083270 -1.781225 ESP Fit Center 2038 is at -1.659254 3.806732 -1.781225 ESP Fit Center 2039 is at 0.898384 3.471188 -2.145269 ESP Fit Center 2040 is at 0.618587 3.794091 -2.145269 ESP Fit Center 2041 is at 0.259151 4.025086 -2.145269 ESP Fit Center 2042 is at -0.150804 4.145460 -2.145269 ESP Fit Center 2043 is at -0.578066 4.145460 -2.145269 ESP Fit Center 2044 is at -0.988022 4.025086 -2.145269 ESP Fit Center 2045 is at -1.347458 3.794091 -2.145269 ESP Fit Center 2046 is at -1.627255 3.471188 -2.145269 ESP Fit Center 2047 is at -1.804746 3.082536 -2.145269 ESP Fit Center 2048 is at 0.760471 3.069055 -2.449285 ESP Fit Center 2049 is at 0.552597 3.429104 -2.449285 ESP Fit Center 2050 is at 0.234115 3.696342 -2.449285 ESP Fit Center 2051 is at -0.156561 3.838536 -2.449285 ESP Fit Center 2052 is at -0.572310 3.838536 -2.449285 ESP Fit Center 2053 is at -0.962986 3.696342 -2.449285 ESP Fit Center 2054 is at -1.281467 3.429104 -2.449285 ESP Fit Center 2055 is at -1.489342 3.069055 -2.449285 ESP Fit Center 2056 is at -1.561536 2.659623 -2.449285 ESP Fit Center 2057 is at -1.489342 2.250190 -2.449285 ESP Fit Center 2058 is at -1.281467 1.890141 -2.449285 ESP Fit Center 2059 is at -0.962986 1.622903 -2.449285 ESP Fit Center 2060 is at 0.468621 2.659623 -2.678029 ESP Fit Center 2061 is at 0.357013 3.076151 -2.678029 ESP Fit Center 2062 is at 0.052093 3.381071 -2.678029 ESP Fit Center 2063 is at -0.364435 3.492679 -2.678029 ESP Fit Center 2064 is at -0.780964 3.381071 -2.678029 ESP Fit Center 2065 is at -1.085884 3.076151 -2.678029 ESP Fit Center 2066 is at -1.197492 2.659623 -2.678029 ESP Fit Center 2067 is at -1.085884 2.243094 -2.678029 ESP Fit Center 2068 is at -0.780964 1.938174 -2.678029 ESP Fit Center 2069 is at -0.364435 1.826566 -2.678029 ESP Fit Center 2070 is at 0.052093 1.938174 -2.678029 ESP Fit Center 2071 is at 0.062805 2.659623 -2.820030 ESP Fit Center 2072 is at -0.150815 3.029624 -2.820030 ESP Fit Center 2073 is at -0.578055 3.029624 -2.820030 ESP Fit Center 2074 is at -0.791676 2.659623 -2.820030 ESP Fit Center 2075 is at -0.578055 2.289622 -2.820030 ESP Fit Center 2076 is at -0.150815 2.289622 -2.820030 ESP Fit Center 2077 is at -0.364435 2.659623 -2.868168 ESP Fit Center 2078 is at 0.911433 4.443269 2.726451 ESP Fit Center 2079 is at 0.494904 4.554878 2.726451 ESP Fit Center 2080 is at 0.078376 4.443269 2.726451 ESP Fit Center 2081 is at 1.411936 4.491302 2.497707 ESP Fit Center 2082 is at 1.093454 4.758540 2.497707 ESP Fit Center 2083 is at 0.702778 4.900735 2.497707 ESP Fit Center 2084 is at 0.287030 4.900735 2.497707 ESP Fit Center 2085 is at -0.103646 4.758540 2.497707 ESP Fit Center 2086 is at -0.422128 4.491302 2.497707 ESP Fit Center 2087 is at 1.935215 4.144734 2.193691 ESP Fit Center 2088 is at 1.757724 4.533386 2.193691 ESP Fit Center 2089 is at 1.477926 4.856289 2.193691 ESP Fit Center 2090 is at 1.118490 5.087285 2.193691 ESP Fit Center 2091 is at 0.708535 5.207658 2.193691 ESP Fit Center 2092 is at 0.281273 5.207658 2.193691 ESP Fit Center 2093 is at -0.128682 5.087285 2.193691 ESP Fit Center 2094 is at -0.488118 4.856289 2.193691 ESP Fit Center 2095 is at -0.767915 4.533386 2.193691 ESP Fit Center 2096 is at 2.174498 4.135804 1.829647 ESP Fit Center 2097 is at 2.026619 4.525727 1.829647 ESP Fit Center 2098 is at 1.789723 4.868931 1.829647 ESP Fit Center 2099 is at 1.477577 5.145468 1.829647 ESP Fit Center 2100 is at 1.108321 5.339269 1.829647 ESP Fit Center 2101 is at 0.703416 5.439069 1.829647 ESP Fit Center 2102 is at 0.286393 5.439069 1.829647 ESP Fit Center 2103 is at -0.118513 5.339269 1.829647 ESP Fit Center 2104 is at -0.487768 5.145468 1.829647 ESP Fit Center 2105 is at -0.799915 4.868931 1.829647 ESP Fit Center 2106 is at -1.036811 4.525727 1.829647 ESP Fit Center 2107 is at 2.319834 4.138350 1.423831 ESP Fit Center 2108 is at 2.181393 4.533991 1.423831 ESP Fit Center 2109 is at 1.958385 4.888908 1.423831 ESP Fit Center 2110 is at 1.661991 5.185301 1.423831 ESP Fit Center 2111 is at 1.307074 5.408310 1.423831 ESP Fit Center 2112 is at 0.911433 5.546751 1.423831 ESP Fit Center 2113 is 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Center 2132 is at 2.319834 4.138350 0.569350 ESP Fit Center 2133 is at 2.181393 4.533991 0.569350 ESP Fit Center 2134 is at 1.958385 4.888908 0.569350 ESP Fit Center 2135 is at 1.661991 5.185301 0.569350 ESP Fit Center 2136 is at 1.307074 5.408310 0.569350 ESP Fit Center 2137 is at 0.911433 5.546751 0.569350 ESP Fit Center 2138 is at 0.494904 5.593683 0.569350 ESP Fit Center 2139 is at 0.078376 5.546751 0.569350 ESP Fit Center 2140 is at -0.317266 5.408310 0.569350 ESP Fit Center 2141 is at -0.672182 5.185301 0.569350 ESP Fit Center 2142 is at -0.968576 4.888908 0.569350 ESP Fit Center 2143 is at -1.191585 4.533991 0.569350 ESP Fit Center 2144 is at 2.174498 4.135804 0.163534 ESP Fit Center 2145 is at 2.026619 4.525727 0.163534 ESP Fit Center 2146 is at 1.789723 4.868931 0.163534 ESP Fit Center 2147 is at 1.477577 5.145468 0.163534 ESP Fit Center 2148 is at 1.108321 5.339269 0.163534 ESP Fit Center 2149 is at 0.703416 5.439069 0.163534 ESP Fit Center 2150 is at 0.286393 5.439069 0.163534 ESP Fit Center 2151 is at -0.118513 5.339269 0.163534 ESP Fit Center 2152 is at -0.487768 5.145468 0.163534 ESP Fit Center 2153 is at -0.799915 4.868931 0.163534 ESP Fit Center 2154 is at -1.036811 4.525727 0.163534 ESP Fit Center 2155 is at 1.757724 4.533386 -0.200510 ESP Fit Center 2156 is at 1.477926 4.856289 -0.200510 ESP Fit Center 2157 is at 1.118490 5.087285 -0.200510 ESP Fit Center 2158 is at 0.708535 5.207658 -0.200510 ESP Fit Center 2159 is at 0.281273 5.207658 -0.200510 ESP Fit Center 2160 is at -0.128682 5.087285 -0.200510 ESP Fit Center 2161 is at -0.488118 4.856289 -0.200510 ESP Fit Center 2162 is at -0.767915 4.533386 -0.200510 ESP Fit Center 2163 is at 1.411936 4.491302 -0.504526 ESP Fit Center 2164 is at 1.093454 4.758540 -0.504526 ESP Fit Center 2165 is at 0.702778 4.900735 -0.504526 ESP Fit Center 2166 is at 0.287030 4.900735 -0.504526 ESP Fit Center 2167 is at -0.103646 4.758540 -0.504526 ESP Fit Center 2168 is at 0.911433 4.443269 -0.733270 ESP Fit Center 2169 is at 0.494904 4.554878 -0.733270 ESP Fit Center 2170 is at -0.396276 2.459553 3.752485 ESP Fit Center 2171 is at 0.030964 2.459553 3.704347 ESP Fit Center 2172 is at -0.182656 2.829554 3.704347 ESP Fit Center 2173 is at -0.609896 2.829554 3.704347 ESP Fit Center 2174 is at -0.823516 2.459553 3.704347 ESP Fit Center 2175 is at -0.609896 2.089553 3.704347 ESP Fit Center 2176 is at -0.182656 2.089553 3.704347 ESP Fit Center 2177 is at 0.436781 2.459553 3.562345 ESP Fit Center 2178 is at 0.325172 2.876082 3.562345 ESP Fit Center 2179 is at 0.020252 3.181002 3.562345 ESP Fit Center 2180 is at -0.396276 3.292610 3.562345 ESP Fit Center 2181 is at -0.812805 3.181002 3.562345 ESP Fit Center 2182 is at -1.117724 2.876082 3.562345 ESP Fit Center 2183 is at -1.229333 2.459553 3.562345 ESP Fit Center 2184 is at -1.117724 2.043025 3.562345 ESP Fit Center 2185 is at -0.812805 1.738105 3.562345 ESP Fit Center 2186 is at -0.396276 1.626497 3.562345 ESP Fit Center 2187 is at 0.020252 1.738105 3.562345 ESP Fit Center 2188 is at 0.325172 2.043025 3.562345 ESP Fit Center 2189 is at 0.202274 3.496273 3.333601 ESP Fit Center 2190 is at -0.188402 3.638467 3.333601 ESP Fit Center 2191 is at -0.604150 3.638467 3.333601 ESP Fit Center 2192 is at -0.994826 3.496273 3.333601 ESP Fit Center 2193 is at -1.313308 3.229035 3.333601 ESP Fit Center 2194 is at -1.521183 2.868986 3.333601 ESP Fit Center 2195 is at -1.593377 2.459553 3.333601 ESP Fit Center 2196 is at -1.521183 2.050121 3.333601 ESP Fit Center 2197 is at -1.313308 1.690072 3.333601 ESP Fit Center 2198 is at -0.994826 1.422834 3.333601 ESP Fit Center 2199 is at -0.604150 1.280640 3.333601 ESP Fit Center 2200 is at -0.188402 1.280640 3.333601 ESP Fit Center 2201 is at 0.202274 1.422834 3.333601 ESP Fit Center 2202 is at 0.520756 1.690072 3.333601 ESP Fit Center 2203 is at -0.182645 3.945391 3.029585 ESP Fit Center 2204 is at -0.609907 3.945391 3.029585 ESP Fit Center 2205 is at -1.019862 3.825017 3.029585 ESP Fit Center 2206 is at -1.379298 3.594022 3.029585 ESP Fit Center 2207 is at -1.659096 3.271118 3.029585 ESP Fit Center 2208 is at -1.836587 2.882467 3.029585 ESP Fit Center 2209 is at -1.897393 2.459553 3.029585 ESP Fit Center 2210 is at -1.836587 2.036640 3.029585 ESP Fit Center 2211 is at -1.659096 1.647989 3.029585 ESP Fit Center 2212 is at -1.379298 1.325085 3.029585 ESP Fit Center 2213 is at -1.019862 1.094090 3.029585 ESP Fit Center 2214 is at -0.609907 0.973716 3.029585 ESP Fit Center 2215 is at -0.182645 0.973716 3.029585 ESP Fit Center 2216 is at 0.227310 1.094090 3.029585 ESP Fit Center 2217 is at -0.604788 4.176801 2.665542 ESP Fit Center 2218 is at -1.009693 4.077001 2.665542 ESP Fit Center 2219 is at -1.378949 3.883200 2.665542 ESP Fit Center 2220 is at -1.691095 3.606663 2.665542 ESP Fit Center 2221 is at -1.927991 3.263460 2.665542 ESP Fit Center 2222 is at -2.075870 2.873536 2.665542 ESP Fit Center 2223 is at -2.126136 2.459553 2.665542 ESP Fit Center 2224 is at -2.075870 2.045571 2.665542 ESP Fit Center 2225 is at -1.927991 1.655647 2.665542 ESP Fit Center 2226 is at -1.691095 1.312444 2.665542 ESP Fit Center 2227 is at -1.378949 1.035906 2.665542 ESP Fit Center 2228 is at -1.009693 0.842106 2.665542 ESP Fit Center 2229 is at -0.604788 0.742306 2.665542 ESP Fit Center 2230 is at -0.187765 0.742306 2.665542 ESP Fit Center 2231 is at -1.208446 4.146042 2.259725 ESP Fit Center 2232 is at -1.563363 3.923034 2.259725 ESP Fit Center 2233 is at -1.859756 3.626640 2.259725 ESP Fit Center 2234 is at -2.082765 3.271724 2.259725 ESP Fit Center 2235 is at -2.221206 2.876082 2.259725 ESP Fit Center 2236 is at -2.268138 2.459553 2.259725 ESP Fit Center 2237 is at -2.221206 2.043025 2.259725 ESP Fit Center 2238 is at -2.082765 1.647383 2.259725 ESP Fit Center 2239 is at -1.859756 1.292467 2.259725 ESP Fit Center 2240 is at -1.563363 0.996073 2.259725 ESP Fit Center 2241 is at -1.208446 0.773064 2.259725 ESP Fit Center 2242 is at -0.396276 0.587692 2.259725 ESP Fit Center 2243 is at -1.473755 4.048716 1.832485 ESP Fit Center 2244 is at -1.790187 3.779936 1.832485 ESP Fit Center 2245 is at -2.041442 3.449417 1.832485 ESP Fit Center 2246 is at -2.215770 3.072612 1.832485 ESP Fit Center 2247 is at -1.859756 3.626640 1.405245 ESP Fit Center 2248 is at -4.670091 0.402696 1.660353 ESP Fit Center 2249 is at -4.781700 -0.013832 1.660353 ESP Fit Center 2250 is at -4.670091 -0.430361 1.660353 ESP Fit Center 2251 is at -4.547193 1.022887 1.431609 ESP Fit Center 2252 is at -4.865675 0.755649 1.431609 ESP Fit Center 2253 is at -5.073549 0.395600 1.431609 ESP Fit Center 2254 is at -5.145743 -0.013832 1.431609 ESP Fit Center 2255 is at -5.073549 -0.423265 1.431609 ESP Fit Center 2256 is at -4.865675 -0.783314 1.431609 ESP Fit Center 2257 is at -4.572229 1.351631 1.127593 ESP Fit Center 2258 is at -4.931665 1.120636 1.127593 ESP Fit Center 2259 is at -5.211462 0.797732 1.127593 ESP Fit Center 2260 is at -5.388953 0.409081 1.127593 ESP Fit Center 2261 is at -5.449759 -0.013832 1.127593 ESP Fit Center 2262 is at -5.388953 -0.436746 1.127593 ESP Fit Center 2263 is at -5.211462 -0.825397 1.127593 ESP Fit Center 2264 is at -4.931665 -1.148301 1.127593 ESP Fit Center 2265 is at -4.931315 1.409815 0.763549 ESP Fit Center 2266 is at -5.243462 1.133277 0.763549 ESP Fit Center 2267 is at -5.480358 0.790074 0.763549 ESP Fit Center 2268 is at -5.628236 0.400150 0.763549 ESP Fit Center 2269 is at -5.678503 -0.013832 0.763549 ESP Fit Center 2270 is at -5.628236 -0.427815 0.763549 ESP Fit Center 2271 is at -5.480358 -0.817739 0.763549 ESP Fit Center 2272 is at -5.243462 -1.160942 0.763549 ESP Fit Center 2273 is at -4.760813 1.672657 0.357733 ESP Fit Center 2274 is at -5.115729 1.449648 0.357733 ESP Fit Center 2275 is at -5.412123 1.153254 0.357733 ESP Fit Center 2276 is at -5.635132 0.798338 0.357733 ESP Fit Center 2277 is at -5.773573 0.402696 0.357733 ESP Fit Center 2278 is at -5.820504 -0.013832 0.357733 ESP Fit Center 2279 is at -5.773573 -0.430361 0.357733 ESP Fit Center 2280 is at -5.635132 -0.826003 0.357733 ESP Fit Center 2281 is at -5.412123 -1.180919 0.357733 ESP Fit Center 2282 is at -5.026122 1.575330 -0.069508 ESP Fit Center 2283 is at -5.342554 1.306551 -0.069508 ESP Fit Center 2284 is at -5.593809 0.976031 -0.069508 ESP Fit Center 2285 is at -5.768137 0.599227 -0.069508 ESP Fit Center 2286 is at -5.857388 0.193756 -0.069508 ESP Fit Center 2287 is at -5.857388 -0.221421 -0.069508 ESP Fit Center 2288 is at -5.768137 -0.626891 -0.069508 ESP Fit Center 2289 is at -5.593809 -1.003696 -0.069508 ESP Fit Center 2290 is at -5.342554 -1.334215 -0.069508 ESP Fit Center 2291 is at -5.115729 1.449648 -0.496748 ESP Fit Center 2292 is at -5.412123 1.153254 -0.496748 ESP Fit Center 2293 is at -5.635132 0.798338 -0.496748 ESP Fit Center 2294 is at -5.773573 0.402696 -0.496748 ESP Fit Center 2295 is at -5.820504 -0.013832 -0.496748 ESP Fit Center 2296 is at -5.773573 -0.430361 -0.496748 ESP Fit Center 2297 is at -5.635132 -0.826003 -0.496748 ESP Fit Center 2298 is at -5.412123 -1.180919 -0.496748 ESP Fit Center 2299 is at -4.931315 1.409815 -0.902564 ESP Fit Center 2300 is at -5.243462 1.133277 -0.902564 ESP Fit Center 2301 is at -5.480358 0.790074 -0.902564 ESP Fit Center 2302 is at -5.628236 0.400150 -0.902564 ESP Fit Center 2303 is at -5.678503 -0.013832 -0.902564 ESP Fit Center 2304 is at -5.628236 -0.427815 -0.902564 ESP Fit Center 2305 is at -5.480358 -0.817739 -0.902564 ESP Fit Center 2306 is at -5.243462 -1.160942 -0.902564 ESP Fit Center 2307 is at -4.572229 1.351631 -1.266608 ESP Fit Center 2308 is at -4.931665 1.120636 -1.266608 ESP Fit Center 2309 is at -5.211462 0.797732 -1.266608 ESP Fit Center 2310 is at -5.388953 0.409081 -1.266608 ESP Fit Center 2311 is at -5.449759 -0.013832 -1.266608 ESP Fit Center 2312 is at -5.388953 -0.436746 -1.266608 ESP Fit Center 2313 is at -5.211462 -0.825397 -1.266608 ESP Fit Center 2314 is at -4.931665 -1.148301 -1.266608 ESP Fit Center 2315 is at -4.547193 1.022887 -1.570624 ESP Fit Center 2316 is at -4.865675 0.755649 -1.570624 ESP Fit Center 2317 is at -5.073549 0.395600 -1.570624 ESP Fit Center 2318 is at -5.145743 -0.013832 -1.570624 ESP Fit Center 2319 is at -5.073549 -0.423265 -1.570624 ESP Fit Center 2320 is at -4.865675 -0.783314 -1.570624 ESP Fit Center 2321 is at -4.365171 0.707616 -1.799368 ESP Fit Center 2322 is at -4.670091 0.402696 -1.799368 ESP Fit Center 2323 is at -4.781700 -0.013832 -1.799368 ESP Fit Center 2324 is at -4.670091 -0.430361 -1.799368 ESP Fit Center 2325 is at 1.831306 -0.715415 3.202140 ESP Fit Center 2326 is at 2.246901 -0.715415 3.174901 ESP Fit Center 2327 is at 2.039104 -0.355499 3.174901 ESP Fit Center 2328 is at 1.623508 -0.355499 3.174901 ESP Fit Center 2329 is at 1.415711 -0.715415 3.174901 ESP Fit Center 2330 is at 1.623508 -1.075331 3.174901 ESP Fit Center 2331 is at 2.039104 -1.075331 3.174901 ESP Fit Center 2332 is at 2.655386 -0.715415 3.093648 ESP Fit Center 2333 is at 2.544980 -0.303375 3.093648 ESP Fit Center 2334 is at 2.243346 -0.001741 3.093648 ESP Fit Center 2335 is at 1.831306 0.108665 3.093648 ESP Fit Center 2336 is at 1.419266 -0.001741 3.093648 ESP Fit Center 2337 is at 1.117632 -0.303375 3.093648 ESP Fit Center 2338 is at 1.007226 -0.715415 3.093648 ESP Fit Center 2339 is at 1.117632 -1.127455 3.093648 ESP Fit Center 2340 is at 1.419266 -1.429089 3.093648 ESP Fit Center 2341 is at 1.831306 -1.539495 3.093648 ESP Fit Center 2342 is at 2.243346 -1.429089 3.093648 ESP Fit Center 2343 is at 2.544980 -1.127455 3.093648 ESP Fit Center 2344 is at 3.049770 -0.715415 2.959773 ESP Fit Center 2345 is at 2.976288 -0.298676 2.959773 ESP Fit Center 2346 is at 2.764704 0.067798 2.959773 ESP Fit Center 2347 is at 2.440538 0.339806 2.959773 ESP Fit Center 2348 is at 2.042890 0.484538 2.959773 ESP Fit Center 2349 is at 1.619722 0.484538 2.959773 ESP Fit Center 2350 is at 1.222074 0.339806 2.959773 ESP Fit Center 2351 is at 0.897908 0.067798 2.959773 ESP Fit Center 2352 is at 0.686324 -0.298676 2.959773 ESP Fit Center 2353 is at 0.612842 -0.715415 2.959773 ESP Fit Center 2354 is at 0.686324 -1.132154 2.959773 ESP Fit Center 2355 is at 0.897908 -1.498629 2.959773 ESP Fit Center 2356 is at 1.222074 -1.770636 2.959773 ESP Fit Center 2357 is at 1.619722 -1.915368 2.959773 ESP Fit Center 2358 is at 2.042890 -1.915368 2.959773 ESP Fit Center 2359 is at 2.440538 -1.770636 2.959773 ESP Fit Center 2360 is at 2.764704 -1.498629 2.959773 ESP Fit Center 2361 is at 2.976288 -1.132154 2.959773 ESP Fit Center 2362 is at 3.423306 -0.715415 2.775565 ESP Fit Center 2363 is at 3.369060 -0.303375 2.775565 ESP Fit Center 2364 is at 3.210018 0.080585 2.775565 ESP Fit Center 2365 is at 2.957020 0.410299 2.775565 ESP Fit Center 2366 is at 2.627306 0.663297 2.775565 ESP Fit Center 2367 is at 2.243346 0.822339 2.775565 ESP Fit Center 2368 is at 1.831306 0.876585 2.775565 ESP Fit Center 2369 is at 1.419266 0.822339 2.775565 ESP Fit Center 2370 is at 1.035306 0.663297 2.775565 ESP Fit Center 2371 is at 0.705592 0.410299 2.775565 ESP Fit Center 2372 is at 0.452594 0.080585 2.775565 ESP Fit Center 2373 is at 0.293552 -0.303375 2.775565 ESP Fit Center 2374 is at 0.239306 -0.715415 2.775565 ESP Fit Center 2375 is at 0.293552 -1.127455 2.775565 ESP Fit Center 2376 is at 0.452594 -1.511415 2.775565 ESP Fit Center 2377 is at 0.705592 -1.841129 2.775565 ESP Fit Center 2378 is at 1.035306 -2.094128 2.775565 ESP Fit Center 2379 is at 1.419266 -2.253169 2.775565 ESP Fit Center 2380 is at 1.831306 -2.307415 2.775565 ESP Fit Center 2381 is at 2.243346 -2.253169 2.775565 ESP Fit Center 2382 is at 2.627306 -2.094128 2.775565 ESP Fit Center 2383 is at 2.957020 -1.841129 2.775565 ESP Fit Center 2384 is at 3.210018 -1.511415 2.775565 ESP Fit Center 2385 is at 3.369060 -1.127455 2.775565 ESP Fit Center 2386 is at 3.769602 -0.715415 2.544177 ESP Fit Center 2387 is at 3.724286 -0.298739 2.544177 ESP Fit Center 2388 is at 3.590456 0.098454 2.544177 ESP Fit Center 2389 is at 3.374370 0.457592 2.544177 ESP Fit Center 2390 is at 3.086133 0.761881 2.544177 ESP Fit Center 2391 is at 2.739220 0.997093 2.544177 ESP Fit Center 2392 is at 0.424112 0.617550 2.544177 ESP Fit Center 2393 is at 0.170463 0.283881 2.544177 ESP Fit Center 2394 is at -0.005527 -0.096514 2.544177 ESP Fit Center 2395 is at -0.095628 -0.505849 2.544177 ESP Fit Center 2396 is at -0.095628 -0.924982 2.544177 ESP Fit Center 2397 is at -0.005527 -1.334316 2.544177 ESP Fit Center 2398 is at 0.170463 -1.714711 2.544177 ESP Fit Center 2399 is at 0.424112 -2.048381 2.544177 ESP Fit Center 2400 is at 0.743559 -2.319722 2.544177 ESP Fit Center 2401 is at 1.113869 -2.516047 2.544177 ESP Fit Center 2402 is at 1.517725 -2.628178 2.544177 ESP Fit Center 2403 is at 1.936243 -2.650869 2.544177 ESP Fit Center 2404 is at 2.349855 -2.583061 2.544177 ESP Fit Center 2405 is at 2.739220 -2.427923 2.544177 ESP Fit Center 2406 is at 3.086133 -2.192711 2.544177 ESP Fit Center 2407 is at 3.374370 -1.888422 2.544177 ESP Fit Center 2408 is at 3.590456 -1.529285 2.544177 ESP Fit Center 2409 is at 3.724286 -1.132092 2.544177 ESP Fit Center 2410 is at 4.082734 -0.715415 2.269568 ESP Fit Center 2411 is at 4.042048 -0.289330 2.269568 ESP Fit Center 2412 is at 3.921460 0.121356 2.269568 ESP Fit Center 2413 is at 3.725328 0.501799 2.269568 ESP Fit Center 2414 is at 3.460741 0.838248 2.269568 ESP Fit Center 2415 is at 3.137262 1.118544 2.269568 ESP Fit Center 2416 is at -0.169843 0.316249 2.269568 ESP Fit Center 2417 is at 0.061564 -2.107156 2.269568 ESP Fit Center 2418 is at 0.356934 -2.416931 2.269568 ESP Fit Center 2419 is at 0.705592 -2.665209 2.269568 ESP Fit Center 2420 is at 1.094936 -2.843017 2.269568 ESP Fit Center 2421 is at 1.510894 -2.943927 2.269568 ESP Fit Center 2422 is at 1.938433 -2.964293 2.269568 ESP Fit Center 2423 is at 2.362100 -2.903379 2.269568 ESP Fit Center 2424 is at 2.766583 -2.763386 2.269568 ESP Fit Center 2425 is at 3.137262 -2.549374 2.269568 ESP Fit Center 2426 is at 3.460741 -2.269078 2.269568 ESP Fit Center 2427 is at 3.725328 -1.932629 2.269568 ESP Fit Center 2428 is at 3.921460 -1.552186 2.269568 ESP Fit Center 2429 is at 4.042048 -1.141501 2.269568 ESP Fit Center 2430 is at 4.357343 -0.715415 1.956437 ESP Fit Center 2431 is at 4.322891 -0.299643 1.956437 ESP Fit Center 2432 is at 4.220475 0.104788 1.956437 ESP Fit Center 2433 is at 4.052889 0.486846 1.956437 ESP Fit Center 2434 is at 3.824704 0.836109 1.956437 ESP Fit Center 2435 is at 3.542144 1.143051 1.956437 ESP Fit Center 2436 is at 3.212917 1.399298 1.956437 ESP Fit Center 2437 is at 0.120468 -2.573881 1.956437 ESP Fit Center 2438 is at 0.449695 -2.830129 1.956437 ESP Fit Center 2439 is at 0.816608 -3.028693 1.956437 ESP Fit Center 2440 is at 1.211201 -3.164156 1.956437 ESP Fit Center 2441 is at 1.622708 -3.232825 1.956437 ESP Fit Center 2442 is at 2.039905 -3.232825 1.956437 ESP Fit Center 2443 is at 2.451411 -3.164156 1.956437 ESP Fit Center 2444 is at 2.846004 -3.028693 1.956437 ESP Fit Center 2445 is at 3.212917 -2.830129 1.956437 ESP Fit Center 2446 is at 3.542144 -2.573881 1.956437 ESP Fit Center 2447 is at 3.824704 -2.266939 1.956437 ESP Fit Center 2448 is at 4.052889 -1.917676 1.956437 ESP Fit Center 2449 is at 4.220475 -1.535618 1.956437 ESP Fit Center 2450 is at 4.322891 -1.131187 1.956437 ESP Fit Center 2451 is at 4.588731 -0.715415 1.610140 ESP Fit Center 2452 is at 4.556415 -0.294496 1.610140 ESP Fit Center 2453 is at 4.460225 0.116557 1.610140 ESP Fit Center 2454 is at 4.302415 0.508109 1.610140 ESP Fit Center 2455 is at 4.086685 0.870983 1.610140 ESP Fit Center 2456 is at 3.818090 1.196673 1.610140 ESP Fit Center 2457 is at 3.502927 1.477545 1.610140 ESP Fit Center 2458 is at 0.703330 -3.231575 1.610140 ESP Fit Center 2459 is at 1.100639 -3.374272 1.610140 ESP Fit Center 2460 is at 1.515075 -3.454647 1.610140 ESP Fit Center 2461 is at 1.936923 -3.470817 1.610140 ESP Fit Center 2462 is at 2.356295 -3.422402 1.610140 ESP Fit Center 2463 is at 2.763362 -3.310538 1.610140 ESP Fit Center 2464 is at 3.148583 -3.137847 1.610140 ESP Fit Center 2465 is at 3.502927 -2.908376 1.610140 ESP Fit Center 2466 is at 3.818090 -2.627503 1.610140 ESP Fit Center 2467 is at 4.086685 -2.301813 1.610140 ESP Fit Center 2468 is at 4.302415 -1.938939 1.610140 ESP Fit Center 2469 is at 4.460225 -1.547387 1.610140 ESP Fit Center 2470 is at 4.556415 -1.136334 1.610140 ESP Fit Center 2471 is at 4.772938 -0.715415 1.236604 ESP Fit Center 2472 is at 4.742997 -0.296777 1.236604 ESP Fit Center 2473 is at 4.653782 0.113338 1.236604 ESP Fit Center 2474 is at 4.507109 0.506583 1.236604 ESP Fit Center 2475 is at 4.305965 0.874951 1.236604 ESP Fit Center 2476 is at 4.054443 1.210944 1.236604 ESP Fit Center 2477 is at 3.757666 1.507722 1.236604 ESP Fit Center 2478 is at 3.421673 1.759243 1.236604 ESP Fit Center 2479 is at 1.002552 -3.537891 1.236604 ESP Fit Center 2480 is at 1.412668 -3.627106 1.236604 ESP Fit Center 2481 is at 1.831306 -3.657048 1.236604 ESP Fit Center 2482 is at 2.249944 -3.627106 1.236604 ESP Fit Center 2483 is at 2.660060 -3.537891 1.236604 ESP Fit Center 2484 is at 3.053304 -3.391218 1.236604 ESP Fit Center 2485 is at 3.421673 -3.190074 1.236604 ESP Fit Center 2486 is at 3.757666 -2.938553 1.236604 ESP Fit Center 2487 is at 4.054443 -2.641775 1.236604 ESP Fit Center 2488 is at 4.305965 -2.305782 1.236604 ESP Fit Center 2489 is at 4.507109 -1.937413 1.236604 ESP Fit Center 2490 is at 4.653782 -1.544169 1.236604 ESP Fit Center 2491 is at 4.742997 -1.134053 1.236604 ESP Fit Center 2492 is at 4.906814 -0.715415 0.842220 ESP Fit Center 2493 is at 4.878168 -0.296634 0.842220 ESP Fit Center 2494 is at 4.792766 0.114347 0.842220 ESP Fit Center 2495 is at 4.652197 0.509870 0.842220 ESP Fit Center 2496 is at 4.459080 0.882569 0.842220 ESP Fit Center 2497 is at 4.217012 1.225501 0.842220 ESP Fit Center 2498 is at 3.930504 1.532277 0.842220 ESP Fit Center 2499 is at 3.604891 1.797182 0.842220 ESP Fit Center 2500 is at 3.246240 2.015283 0.842220 ESP Fit Center 2501 is at 0.801381 -3.613346 0.842220 ESP Fit Center 2502 is at 1.205575 -3.726596 0.842220 ESP Fit Center 2503 is at 1.621426 -3.783753 0.842220 ESP Fit Center 2504 is at 2.041186 -3.783753 0.842220 ESP Fit Center 2505 is at 2.457037 -3.726596 0.842220 ESP Fit Center 2506 is at 2.861231 -3.613346 0.842220 ESP Fit Center 2507 is at 3.246240 -3.446113 0.842220 ESP Fit Center 2508 is at 3.604891 -3.228013 0.842220 ESP Fit Center 2509 is at 3.930504 -2.963107 0.842220 ESP Fit Center 2510 is at 4.217012 -2.656331 0.842220 ESP Fit Center 2511 is at 4.459080 -2.313400 0.842220 ESP Fit Center 2512 is at 4.652197 -1.940701 0.842220 ESP Fit Center 2513 is at 4.792766 -1.545177 0.842220 ESP Fit Center 2514 is at 4.878168 -1.134197 0.842220 ESP Fit Center 2515 is at 4.988066 -0.715415 0.433736 ESP Fit Center 2516 is at 4.959900 -0.294660 0.433736 ESP Fit Center 2517 is at 4.875904 0.118586 0.433736 ESP Fit Center 2518 is at 4.737577 0.516950 0.433736 ESP Fit Center 2519 is at 4.547388 0.893322 0.433736 ESP Fit Center 2520 is at 4.308730 1.240987 0.433736 ESP Fit Center 2521 is at 4.025862 1.553739 0.433736 ESP Fit Center 2522 is at 3.703832 1.825998 0.433736 ESP Fit Center 2523 is at 3.348387 2.052906 0.433736 ESP Fit Center 2524 is at 0.896035 -3.730445 0.433736 ESP Fit Center 2525 is at 1.306244 -3.828203 0.433736 ESP Fit Center 2526 is at 1.725823 -3.870413 0.433736 ESP Fit Center 2527 is at 2.147284 -3.856322 0.433736 ESP Fit Center 2528 is at 2.563107 -3.786181 0.433736 ESP Fit Center 2529 is at 2.965870 -3.661243 0.433736 ESP Fit Center 2530 is at 3.348387 -3.483736 0.433736 ESP Fit Center 2531 is at 3.703832 -3.256829 0.433736 ESP Fit Center 2532 is at 4.025862 -2.984569 0.433736 ESP Fit Center 2533 is at 4.308730 -2.671817 0.433736 ESP Fit Center 2534 is at 4.547388 -2.324153 0.433736 ESP Fit Center 2535 is at 4.737577 -1.947781 0.433736 ESP Fit Center 2536 is at 4.875904 -1.549417 0.433736 ESP Fit Center 2537 is at 4.959900 -1.136170 0.433736 ESP Fit Center 2538 is at 5.015306 -0.715415 0.018140 ESP Fit Center 2539 is at 4.988066 -0.299820 0.018140 ESP Fit Center 2540 is at 4.906814 0.108665 0.018140 ESP Fit Center 2541 is at 4.772938 0.503049 0.018140 ESP Fit Center 2542 is at 4.588731 0.876585 0.018140 ESP Fit Center 2543 is at 4.357343 1.222881 0.018140 ESP Fit Center 2544 is at 4.082734 1.536013 0.018140 ESP Fit Center 2545 is at 3.769602 1.810622 0.018140 ESP Fit Center 2546 is at 1.007226 -3.790923 0.018140 ESP Fit Center 2547 is at 1.415711 -3.872176 0.018140 ESP Fit Center 2548 is at 1.831306 -3.899415 0.018140 ESP Fit Center 2549 is at 2.246901 -3.872176 0.018140 ESP Fit Center 2550 is at 2.655386 -3.790923 0.018140 ESP Fit Center 2551 is at 3.049770 -3.657048 0.018140 ESP Fit Center 2552 is at 3.423306 -3.472840 0.018140 ESP Fit Center 2553 is at 3.769602 -3.241452 0.018140 ESP Fit Center 2554 is at 4.082734 -2.966843 0.018140 ESP Fit Center 2555 is at 4.357343 -2.653712 0.018140 ESP Fit Center 2556 is at 4.588731 -2.307415 0.018140 ESP Fit Center 2557 is at 4.772938 -1.933879 0.018140 ESP Fit Center 2558 is at 4.906814 -1.539495 0.018140 ESP Fit Center 2559 is at 4.988066 -1.131011 0.018140 ESP Fit Center 2560 is at 4.988066 -0.715415 -0.397455 ESP Fit Center 2561 is at 4.959900 -0.294660 -0.397455 ESP Fit Center 2562 is at 4.875904 0.118586 -0.397455 ESP Fit Center 2563 is at 4.737577 0.516950 -0.397455 ESP Fit Center 2564 is at 4.547388 0.893322 -0.397455 ESP Fit Center 2565 is at 4.308730 1.240987 -0.397455 ESP Fit Center 2566 is at 4.025862 1.553739 -0.397455 ESP Fit Center 2567 is at 3.703832 1.825998 -0.397455 ESP Fit Center 2568 is at 0.896035 -3.730445 -0.397455 ESP Fit Center 2569 is at 1.306244 -3.828203 -0.397455 ESP Fit Center 2570 is at 1.725823 -3.870413 -0.397455 ESP Fit Center 2571 is at 2.147284 -3.856322 -0.397455 ESP Fit Center 2572 is at 2.563107 -3.786181 -0.397455 ESP Fit Center 2573 is at 2.965870 -3.661243 -0.397455 ESP Fit Center 2574 is at 3.348387 -3.483736 -0.397455 ESP Fit Center 2575 is at 3.703832 -3.256829 -0.397455 ESP Fit Center 2576 is at 4.025862 -2.984569 -0.397455 ESP Fit Center 2577 is at 4.308730 -2.671817 -0.397455 ESP Fit Center 2578 is at 4.547388 -2.324153 -0.397455 ESP Fit Center 2579 is at 4.737577 -1.947781 -0.397455 ESP Fit Center 2580 is at 4.875904 -1.549417 -0.397455 ESP Fit Center 2581 is at 4.959900 -1.136170 -0.397455 ESP Fit Center 2582 is at 4.906814 -0.715415 -0.805940 ESP Fit Center 2583 is at 4.878168 -0.296634 -0.805940 ESP Fit Center 2584 is at 4.792766 0.114347 -0.805940 ESP Fit Center 2585 is at 4.652197 0.509870 -0.805940 ESP Fit Center 2586 is at 4.459080 0.882569 -0.805940 ESP Fit Center 2587 is at 4.217012 1.225501 -0.805940 ESP Fit Center 2588 is at 3.930504 1.532277 -0.805940 ESP Fit Center 2589 is at 0.801381 -3.613346 -0.805940 ESP Fit Center 2590 is at 1.205575 -3.726596 -0.805940 ESP Fit Center 2591 is at 1.621426 -3.783753 -0.805940 ESP Fit Center 2592 is at 2.041186 -3.783753 -0.805940 ESP Fit Center 2593 is at 2.457037 -3.726596 -0.805940 ESP Fit Center 2594 is at 2.861231 -3.613346 -0.805940 ESP Fit Center 2595 is at 3.246240 -3.446113 -0.805940 ESP Fit Center 2596 is at 3.604891 -3.228013 -0.805940 ESP Fit Center 2597 is at 3.930504 -2.963107 -0.805940 ESP Fit Center 2598 is at 4.217012 -2.656331 -0.805940 ESP Fit Center 2599 is at 4.459080 -2.313400 -0.805940 ESP Fit Center 2600 is at 4.652197 -1.940701 -0.805940 ESP Fit Center 2601 is at 4.792766 -1.545177 -0.805940 ESP Fit Center 2602 is at 4.878168 -1.134197 -0.805940 ESP Fit Center 2603 is at 4.772938 -0.715415 -1.200324 ESP Fit Center 2604 is at 4.742997 -0.296777 -1.200324 ESP Fit Center 2605 is at 4.653782 0.113338 -1.200324 ESP Fit Center 2606 is at 4.507109 0.506583 -1.200324 ESP Fit Center 2607 is at 4.305965 0.874951 -1.200324 ESP Fit Center 2608 is at 4.054443 1.210944 -1.200324 ESP Fit Center 2609 is at 3.757666 1.507722 -1.200324 ESP Fit Center 2610 is at 0.609308 -3.391218 -1.200324 ESP Fit Center 2611 is at 1.002552 -3.537891 -1.200324 ESP Fit Center 2612 is at 1.412668 -3.627106 -1.200324 ESP Fit Center 2613 is at 1.831306 -3.657048 -1.200324 ESP Fit Center 2614 is at 2.249944 -3.627106 -1.200324 ESP Fit Center 2615 is at 2.660060 -3.537891 -1.200324 ESP Fit Center 2616 is at 3.053304 -3.391218 -1.200324 ESP Fit Center 2617 is at 3.421673 -3.190074 -1.200324 ESP Fit Center 2618 is at 3.757666 -2.938553 -1.200324 ESP Fit Center 2619 is at 4.054443 -2.641775 -1.200324 ESP Fit Center 2620 is at 4.305965 -2.305782 -1.200324 ESP Fit Center 2621 is at 4.507109 -1.937413 -1.200324 ESP Fit Center 2622 is at 4.653782 -1.544169 -1.200324 ESP Fit Center 2623 is at 4.742997 -1.134053 -1.200324 ESP Fit Center 2624 is at 4.588731 -0.715415 -1.573860 ESP Fit Center 2625 is at 4.556415 -0.294496 -1.573860 ESP Fit Center 2626 is at 4.460225 0.116557 -1.573860 ESP Fit Center 2627 is at 4.302415 0.508109 -1.573860 ESP Fit Center 2628 is at 4.086685 0.870983 -1.573860 ESP Fit Center 2629 is at 3.818090 1.196673 -1.573860 ESP Fit Center 2630 is at 0.332459 -3.029902 -1.573860 ESP Fit Center 2631 is at 0.703330 -3.231575 -1.573860 ESP Fit Center 2632 is at 1.100639 -3.374272 -1.573860 ESP Fit Center 2633 is at 1.515075 -3.454647 -1.573860 ESP Fit Center 2634 is at 1.936923 -3.470817 -1.573860 ESP Fit Center 2635 is at 2.356295 -3.422402 -1.573860 ESP Fit Center 2636 is at 2.763362 -3.310538 -1.573860 ESP Fit Center 2637 is at 3.148583 -3.137847 -1.573860 ESP Fit Center 2638 is at 3.502927 -2.908376 -1.573860 ESP Fit Center 2639 is at 3.818090 -2.627503 -1.573860 ESP Fit Center 2640 is at 4.086685 -2.301813 -1.573860 ESP Fit Center 2641 is at 4.302415 -1.938939 -1.573860 ESP Fit Center 2642 is at 4.460225 -1.547387 -1.573860 ESP Fit Center 2643 is at 4.556415 -1.136334 -1.573860 ESP Fit Center 2644 is at 4.357343 -0.715415 -1.920156 ESP Fit Center 2645 is at 4.322891 -0.299643 -1.920156 ESP Fit Center 2646 is at 4.220475 0.104788 -1.920156 ESP Fit Center 2647 is at 4.052889 0.486846 -1.920156 ESP Fit Center 2648 is at 3.824704 0.836109 -1.920156 ESP Fit Center 2649 is at 3.542144 1.143051 -1.920156 ESP Fit Center 2650 is at 0.120468 -2.573881 -1.920156 ESP Fit Center 2651 is at 0.449695 -2.830129 -1.920156 ESP Fit Center 2652 is at 0.816608 -3.028693 -1.920156 ESP Fit Center 2653 is at 1.211201 -3.164156 -1.920156 ESP Fit Center 2654 is at 1.622708 -3.232825 -1.920156 ESP Fit Center 2655 is at 2.039905 -3.232825 -1.920156 ESP Fit Center 2656 is at 2.451411 -3.164156 -1.920156 ESP Fit Center 2657 is at 2.846004 -3.028693 -1.920156 ESP Fit Center 2658 is at 3.212917 -2.830129 -1.920156 ESP Fit Center 2659 is at 3.542144 -2.573881 -1.920156 ESP Fit Center 2660 is at 3.824704 -2.266939 -1.920156 ESP Fit Center 2661 is at 4.052889 -1.917676 -1.920156 ESP Fit Center 2662 is at 4.220475 -1.535618 -1.920156 ESP Fit Center 2663 is at 4.322891 -1.131187 -1.920156 ESP Fit Center 2664 is at 4.082734 -0.715415 -2.233288 ESP Fit Center 2665 is at 4.042048 -0.289330 -2.233288 ESP Fit Center 2666 is at 3.921460 0.121356 -2.233288 ESP Fit Center 2667 is at 3.725328 0.501799 -2.233288 ESP Fit Center 2668 is at 3.460741 0.838248 -2.233288 ESP Fit Center 2669 is at 3.137262 1.118544 -2.233288 ESP Fit Center 2670 is at -0.169843 -1.747079 -2.233288 ESP Fit Center 2671 is at 0.061564 -2.107156 -2.233288 ESP Fit Center 2672 is at 0.356934 -2.416931 -2.233288 ESP Fit Center 2673 is at 0.705592 -2.665209 -2.233288 ESP Fit Center 2674 is at 1.094936 -2.843017 -2.233288 ESP Fit Center 2675 is at 1.510894 -2.943927 -2.233288 ESP Fit Center 2676 is at 1.938433 -2.964293 -2.233288 ESP Fit Center 2677 is at 2.362100 -2.903379 -2.233288 ESP Fit Center 2678 is at 2.766583 -2.763386 -2.233288 ESP Fit Center 2679 is at 3.137262 -2.549374 -2.233288 ESP Fit Center 2680 is at 3.460741 -2.269078 -2.233288 ESP Fit Center 2681 is at 3.725328 -1.932629 -2.233288 ESP Fit Center 2682 is at 3.921460 -1.552186 -2.233288 ESP Fit Center 2683 is at 4.042048 -1.141501 -2.233288 ESP Fit Center 2684 is at 3.769602 -0.715415 -2.507897 ESP Fit Center 2685 is at 3.724286 -0.298739 -2.507897 ESP Fit Center 2686 is at 3.590456 0.098454 -2.507897 ESP Fit Center 2687 is at 3.374370 0.457592 -2.507897 ESP Fit Center 2688 is at 3.086133 0.761881 -2.507897 ESP Fit Center 2689 is at 2.739220 0.997093 -2.507897 ESP Fit Center 2690 is at 0.170463 0.283881 -2.507897 ESP Fit Center 2691 is at -0.005527 -0.096514 -2.507897 ESP Fit Center 2692 is at -0.095628 -0.505849 -2.507897 ESP Fit Center 2693 is at -0.095628 -0.924982 -2.507897 ESP Fit Center 2694 is at -0.005527 -1.334316 -2.507897 ESP Fit Center 2695 is at 0.170463 -1.714711 -2.507897 ESP Fit Center 2696 is at 0.424112 -2.048381 -2.507897 ESP Fit Center 2697 is at 0.743559 -2.319722 -2.507897 ESP Fit Center 2698 is at 1.113869 -2.516047 -2.507897 ESP Fit Center 2699 is at 1.517725 -2.628178 -2.507897 ESP Fit Center 2700 is at 1.936243 -2.650869 -2.507897 ESP Fit Center 2701 is at 2.349855 -2.583061 -2.507897 ESP Fit Center 2702 is at 2.739220 -2.427923 -2.507897 ESP Fit Center 2703 is at 3.086133 -2.192711 -2.507897 ESP Fit Center 2704 is at 3.374370 -1.888422 -2.507897 ESP Fit Center 2705 is at 3.590456 -1.529285 -2.507897 ESP Fit Center 2706 is at 3.724286 -1.132092 -2.507897 ESP Fit Center 2707 is at 3.423306 -0.715415 -2.739285 ESP Fit Center 2708 is at 3.369060 -0.303375 -2.739285 ESP Fit Center 2709 is at 3.210018 0.080585 -2.739285 ESP Fit Center 2710 is at 2.957020 0.410299 -2.739285 ESP Fit Center 2711 is at 2.627306 0.663297 -2.739285 ESP Fit Center 2712 is at 2.243346 0.822339 -2.739285 ESP Fit Center 2713 is at 0.705592 0.410299 -2.739285 ESP Fit Center 2714 is at 0.452594 0.080585 -2.739285 ESP Fit Center 2715 is at 0.293552 -0.303375 -2.739285 ESP Fit Center 2716 is at 0.239306 -0.715415 -2.739285 ESP Fit Center 2717 is at 0.293552 -1.127455 -2.739285 ESP Fit Center 2718 is at 0.452594 -1.511415 -2.739285 ESP Fit Center 2719 is at 0.705592 -1.841129 -2.739285 ESP Fit Center 2720 is at 1.035306 -2.094128 -2.739285 ESP Fit Center 2721 is at 1.419266 -2.253169 -2.739285 ESP Fit Center 2722 is at 1.831306 -2.307415 -2.739285 ESP Fit Center 2723 is at 2.243346 -2.253169 -2.739285 ESP Fit Center 2724 is at 2.627306 -2.094128 -2.739285 ESP Fit Center 2725 is at 2.957020 -1.841129 -2.739285 ESP Fit Center 2726 is at 3.210018 -1.511415 -2.739285 ESP Fit Center 2727 is at 3.369060 -1.127455 -2.739285 ESP Fit Center 2728 is at 3.049770 -0.715415 -2.923492 ESP Fit Center 2729 is at 2.976288 -0.298676 -2.923492 ESP Fit Center 2730 is at 2.764704 0.067798 -2.923492 ESP Fit Center 2731 is at 2.440538 0.339806 -2.923492 ESP Fit Center 2732 is at 2.042890 0.484538 -2.923492 ESP Fit Center 2733 is at 1.619722 0.484538 -2.923492 ESP Fit Center 2734 is at 1.222074 0.339806 -2.923492 ESP Fit Center 2735 is at 0.897908 0.067798 -2.923492 ESP Fit Center 2736 is at 0.686324 -0.298676 -2.923492 ESP Fit Center 2737 is at 0.612842 -0.715415 -2.923492 ESP Fit Center 2738 is at 0.686324 -1.132154 -2.923492 ESP Fit Center 2739 is at 0.897908 -1.498629 -2.923492 ESP Fit Center 2740 is at 1.222074 -1.770636 -2.923492 ESP Fit Center 2741 is at 1.619722 -1.915368 -2.923492 ESP Fit Center 2742 is at 2.042890 -1.915368 -2.923492 ESP Fit Center 2743 is at 2.440538 -1.770636 -2.923492 ESP Fit Center 2744 is at 2.764704 -1.498629 -2.923492 ESP Fit Center 2745 is at 2.976288 -1.132154 -2.923492 ESP Fit Center 2746 is at 2.655386 -0.715415 -3.057368 ESP Fit Center 2747 is at 2.544980 -0.303375 -3.057368 ESP Fit Center 2748 is at 2.243346 -0.001741 -3.057368 ESP Fit Center 2749 is at 1.831306 0.108665 -3.057368 ESP Fit Center 2750 is at 1.419266 -0.001741 -3.057368 ESP Fit Center 2751 is at 1.117632 -0.303375 -3.057368 ESP Fit Center 2752 is at 1.007226 -0.715415 -3.057368 ESP Fit Center 2753 is at 1.117632 -1.127455 -3.057368 ESP Fit Center 2754 is at 1.419266 -1.429089 -3.057368 ESP Fit Center 2755 is at 1.831306 -1.539495 -3.057368 ESP Fit Center 2756 is at 2.243346 -1.429089 -3.057368 ESP Fit Center 2757 is at 2.544980 -1.127455 -3.057368 ESP Fit Center 2758 is at 2.246901 -0.715415 -3.138620 ESP Fit Center 2759 is at 2.039104 -0.355499 -3.138620 ESP Fit Center 2760 is at 1.623508 -0.355499 -3.138620 ESP Fit Center 2761 is at 1.415711 -0.715415 -3.138620 ESP Fit Center 2762 is at 1.623508 -1.075331 -3.138620 ESP Fit Center 2763 is at 2.039104 -1.075331 -3.138620 ESP Fit Center 2764 is at 1.831306 -0.715415 -3.165860 ESP Fit Center 2765 is at -0.458569 -2.894241 2.050410 ESP Fit Center 2766 is at -1.088718 -3.245689 1.908409 ESP Fit Center 2767 is at -0.672189 -3.357297 1.908409 ESP Fit Center 2768 is at -0.255661 -3.245689 1.908409 ESP Fit Center 2769 is at 0.049259 -2.940769 1.908409 ESP Fit Center 2770 is at -1.589221 -3.293722 1.679665 ESP Fit Center 2771 is at -1.270739 -3.560960 1.679665 ESP Fit Center 2772 is at -0.880063 -3.703154 1.679665 ESP Fit Center 2773 is at -0.464315 -3.703154 1.679665 ESP Fit Center 2774 is at -0.073639 -3.560960 1.679665 ESP Fit Center 2775 is at 0.244843 -3.293722 1.679665 ESP Fit Center 2776 is at -1.655211 -3.658709 1.375649 ESP Fit Center 2777 is at -1.295775 -3.889704 1.375649 ESP Fit Center 2778 is at -0.885820 -4.010078 1.375649 ESP Fit Center 2779 is at -0.458558 -4.010078 1.375649 ESP Fit Center 2780 is at -0.048603 -3.889704 1.375649 ESP Fit Center 2781 is at 0.310833 -3.658709 1.375649 ESP Fit Center 2782 is at 0.590630 -3.335805 1.375649 ESP Fit Center 2783 is at -1.654862 -3.947888 1.011605 ESP Fit Center 2784 is at -1.285606 -4.141688 1.011605 ESP Fit Center 2785 is at -0.880701 -4.241488 1.011605 ESP Fit Center 2786 is at -0.463678 -4.241488 1.011605 ESP Fit Center 2787 is at -0.058772 -4.141688 1.011605 ESP Fit Center 2788 is at 0.310483 -3.947888 1.011605 ESP Fit Center 2789 is at 0.622630 -3.671350 1.011605 ESP Fit Center 2790 is at -1.484359 -4.210730 0.605789 ESP Fit Center 2791 is at -1.088718 -4.349171 0.605789 ESP Fit Center 2792 is at -0.672189 -4.396102 0.605789 ESP Fit Center 2793 is at -0.255661 -4.349171 0.605789 ESP Fit Center 2794 is at 0.139981 -4.210730 0.605789 ESP Fit Center 2795 is at 0.494897 -3.987721 0.605789 ESP Fit Center 2796 is at 0.791291 -3.691327 0.605789 ESP Fit Center 2797 is at -1.749668 -4.113403 0.178549 ESP Fit Center 2798 is at -1.382854 -4.307876 0.178549 ESP Fit Center 2799 is at -0.982811 -4.418947 0.178549 ESP Fit Center 2800 is at -0.568242 -4.441425 0.178549 ESP Fit Center 2801 is at -0.158535 -4.374256 0.178549 ESP Fit Center 2802 is at 0.227155 -4.220584 0.178549 ESP Fit Center 2803 is at 0.570792 -3.987592 0.178549 ESP Fit Center 2804 is at -1.484359 -4.210730 -0.248692 ESP Fit Center 2805 is at -1.088718 -4.349171 -0.248692 ESP Fit Center 2806 is at -0.672189 -4.396102 -0.248692 ESP Fit Center 2807 is at -0.255661 -4.349171 -0.248692 ESP Fit Center 2808 is at 0.139981 -4.210730 -0.248692 ESP Fit Center 2809 is at 0.494897 -3.987721 -0.248692 ESP Fit Center 2810 is at -1.654862 -3.947888 -0.654508 ESP Fit Center 2811 is at -1.285606 -4.141688 -0.654508 ESP Fit Center 2812 is at -0.880701 -4.241488 -0.654508 ESP Fit Center 2813 is at -0.463678 -4.241488 -0.654508 ESP Fit Center 2814 is at -0.058772 -4.141688 -0.654508 ESP Fit Center 2815 is at 0.310483 -3.947888 -0.654508 ESP Fit Center 2816 is at 0.622630 -3.671350 -0.654508 ESP Fit Center 2817 is at -1.655211 -3.658709 -1.018552 ESP Fit Center 2818 is at -1.295775 -3.889704 -1.018552 ESP Fit Center 2819 is at -0.885820 -4.010078 -1.018552 ESP Fit Center 2820 is at -0.458558 -4.010078 -1.018552 ESP Fit Center 2821 is at -0.048603 -3.889704 -1.018552 ESP Fit Center 2822 is at 0.310833 -3.658709 -1.018552 ESP Fit Center 2823 is at -1.270739 -3.560960 -1.322568 ESP Fit Center 2824 is at -0.880063 -3.703154 -1.322568 ESP Fit Center 2825 is at -0.464315 -3.703154 -1.322568 ESP Fit Center 2826 is at -0.073639 -3.560960 -1.322568 ESP Fit Center 2827 is at 0.244843 -3.293722 -1.322568 ESP Fit Center 2828 is at -0.672189 -3.357297 -1.551312 ESP Fit Center 2829 is at -0.255661 -3.245689 -1.551312 ESP Fit Center 2830 is at 0.049259 -2.940769 -1.551312 ESP Fit Center 2831 is at 1.318247 2.238131 3.399265 ESP Fit Center 2832 is at 1.745487 2.238131 3.351127 ESP Fit Center 2833 is at 1.531867 2.608132 3.351127 ESP Fit Center 2834 is at 1.104627 1.868131 3.351127 ESP Fit Center 2835 is at 1.531867 1.868131 3.351127 ESP Fit Center 2836 is at 2.151304 2.238131 3.209125 ESP Fit Center 2837 is at 2.039695 2.654660 3.209125 ESP Fit Center 2838 is at 1.734775 2.959580 3.209125 ESP Fit Center 2839 is at 0.901718 1.516683 3.209125 ESP Fit Center 2840 is at 1.318247 1.405075 3.209125 ESP Fit Center 2841 is at 1.734775 1.516683 3.209125 ESP Fit Center 2842 is at 2.039695 1.821603 3.209125 ESP Fit Center 2843 is at 2.515347 2.238131 2.980382 ESP Fit Center 2844 is at 2.443153 2.647564 2.980382 ESP Fit Center 2845 is at 2.235279 3.007613 2.980382 ESP Fit Center 2846 is at 1.916797 3.274851 2.980382 ESP Fit Center 2847 is at 1.110373 1.059218 2.980382 ESP Fit Center 2848 is at 1.526121 1.059218 2.980382 ESP Fit Center 2849 is at 1.916797 1.201412 2.980382 ESP Fit Center 2850 is at 2.235279 1.468650 2.980382 ESP Fit Center 2851 is at 2.443153 1.828699 2.980382 ESP Fit Center 2852 is at 2.819363 2.238131 2.676366 ESP Fit Center 2853 is at 2.758558 2.661045 2.676366 ESP Fit Center 2854 is at 2.581066 3.049696 2.676366 ESP Fit Center 2855 is at 2.301269 3.372600 2.676366 ESP Fit Center 2856 is at 1.941833 3.603595 2.676366 ESP Fit Center 2857 is at 2.301269 1.103663 2.676366 ESP Fit Center 2858 is at 2.581066 1.426567 2.676366 ESP Fit Center 2859 is at 2.758558 1.815218 2.676366 ESP Fit Center 2860 is at 3.048107 2.238131 2.312322 ESP Fit Center 2861 is at 2.997840 2.652114 2.312322 ESP Fit Center 2862 is at 2.849962 3.042038 2.312322 ESP Fit Center 2863 is at 2.613066 3.385241 2.312322 ESP Fit Center 2864 is at 2.300919 3.661779 2.312322 ESP Fit Center 2865 is at 2.849962 1.434225 2.312322 ESP Fit Center 2866 is at 2.997840 1.824149 2.312322 ESP Fit Center 2867 is at 3.190108 2.238131 1.906505 ESP Fit Center 2868 is at 3.143177 2.654660 1.906505 ESP Fit Center 2869 is at 3.004736 3.050302 1.906505 ESP Fit Center 2870 is at 2.781727 3.405218 1.906505 ESP Fit Center 2871 is at 2.485333 3.701612 1.906505 ESP Fit Center 2872 is at 3.143177 1.821603 1.906505 ESP Fit Center 2873 is at 3.238247 2.238131 1.479265 ESP Fit Center 2874 is at 3.193358 2.650875 1.479265 ESP Fit Center 2875 is at 3.060792 3.044319 1.479265 ESP Fit Center 2876 is at 2.846746 3.400066 1.479265 ESP Fit Center 2877 is at 2.561229 3.701483 1.479265 ESP Fit Center 2878 is at 3.193358 1.825388 1.479265 ESP Fit Center 2879 is at 3.190108 2.238131 1.052025 ESP Fit Center 2880 is at 3.143177 2.654660 1.052025 ESP Fit Center 2881 is at 3.004736 3.050302 1.052025 ESP Fit Center 2882 is at 2.781727 3.405218 1.052025 ESP Fit Center 2883 is at 3.048107 2.238131 0.646208 ESP Fit Center 2884 is at 2.849962 3.042038 0.646208 ESP Fit Center 2885 is at 3.144778 2.389450 0.569803 ESP Fit Center 2886 is at 3.072584 2.798883 0.569803 ESP Fit Center 2887 is at 2.864710 3.158932 0.569803 ESP Fit Center 2888 is at 3.448794 2.389450 0.265787 ESP Fit Center 2889 is at 3.387989 2.812364 0.265787 ESP Fit Center 2890 is at 3.210497 3.201015 0.265787 ESP Fit Center 2891 is at 2.930700 3.523918 0.265787 ESP Fit Center 2892 is at 2.571264 3.754914 0.265787 ESP Fit Center 2893 is at 3.677538 2.389450 -0.098257 ESP Fit Center 2894 is at 3.627272 2.803433 -0.098257 ESP Fit Center 2895 is at 3.479393 3.193356 -0.098257 ESP Fit Center 2896 is at 3.242497 3.536560 -0.098257 ESP Fit Center 2897 is at 2.930351 3.813097 -0.098257 ESP Fit Center 2898 is at 2.561095 4.006898 -0.098257 ESP Fit Center 2899 is at 2.156190 4.106698 -0.098257 ESP Fit Center 2900 is at 3.627272 1.975468 -0.098257 ESP Fit Center 2901 is at 3.819540 2.389450 -0.504073 ESP Fit Center 2902 is at 3.772608 2.805979 -0.504073 ESP Fit Center 2903 is at 3.634167 3.201621 -0.504073 ESP Fit Center 2904 is at 3.411158 3.556537 -0.504073 ESP Fit Center 2905 is at 3.114765 3.852931 -0.504073 ESP Fit Center 2906 is at 2.759848 4.075939 -0.504073 ESP Fit Center 2907 is at 2.364206 4.214380 -0.504073 ESP Fit Center 2908 is at 1.947678 4.261312 -0.504073 ESP Fit Center 2909 is at 3.772608 1.972922 -0.504073 ESP Fit Center 2910 is at 3.867678 2.389450 -0.931313 ESP Fit Center 2911 is at 3.822789 2.802193 -0.931313 ESP Fit Center 2912 is at 3.690223 3.195637 -0.931313 ESP Fit Center 2913 is at 3.476177 3.551385 -0.931313 ESP Fit Center 2914 is at 3.190660 3.852801 -0.931313 ESP Fit Center 2915 is at 2.847022 4.085793 -0.931313 ESP Fit Center 2916 is at 2.461332 4.239466 -0.931313 ESP Fit Center 2917 is at 2.051625 4.306634 -0.931313 ESP Fit Center 2918 is at 1.637057 4.284157 -0.931313 ESP Fit Center 2919 is at 1.237013 4.173086 -0.931313 ESP Fit Center 2920 is at 3.822789 1.976707 -0.931313 ESP Fit Center 2921 is at 3.819540 2.389450 -1.358554 ESP Fit Center 2922 is at 3.772608 2.805979 -1.358554 ESP Fit Center 2923 is at 3.634167 3.201621 -1.358554 ESP Fit Center 2924 is at 3.411158 3.556537 -1.358554 ESP Fit Center 2925 is at 3.114765 3.852931 -1.358554 ESP Fit Center 2926 is at 2.759848 4.075939 -1.358554 ESP Fit Center 2927 is at 2.364206 4.214380 -1.358554 ESP Fit Center 2928 is at 1.947678 4.261312 -1.358554 ESP Fit Center 2929 is at 1.531150 4.214380 -1.358554 ESP Fit Center 2930 is at 1.135508 4.075939 -1.358554 ESP Fit Center 2931 is at 3.634167 1.577280 -1.358554 ESP Fit Center 2932 is at 3.772608 1.972922 -1.358554 ESP Fit Center 2933 is at 3.677538 2.389450 -1.764370 ESP Fit Center 2934 is at 3.627272 2.803433 -1.764370 ESP Fit Center 2935 is at 3.479393 3.193356 -1.764370 ESP Fit Center 2936 is at 3.242497 3.536560 -1.764370 ESP Fit Center 2937 is at 2.930351 3.813097 -1.764370 ESP Fit Center 2938 is at 2.561095 4.006898 -1.764370 ESP Fit Center 2939 is at 2.156190 4.106698 -1.764370 ESP Fit Center 2940 is at 1.739166 4.106698 -1.764370 ESP Fit Center 2941 is at 1.334261 4.006898 -1.764370 ESP Fit Center 2942 is at 0.965005 3.813097 -1.764370 ESP Fit Center 2943 is at 3.479393 1.585544 -1.764370 ESP Fit Center 2944 is at 3.627272 1.975468 -1.764370 ESP Fit Center 2945 is at 3.448794 2.389450 -2.128414 ESP Fit Center 2946 is at 3.387989 2.812364 -2.128414 ESP Fit Center 2947 is at 3.210497 3.201015 -2.128414 ESP Fit Center 2948 is at 2.930700 3.523918 -2.128414 ESP Fit Center 2949 is at 2.571264 3.754914 -2.128414 ESP Fit Center 2950 is at 2.161309 3.875287 -2.128414 ESP Fit Center 2951 is at 1.734047 3.875287 -2.128414 ESP Fit Center 2952 is at 1.324092 3.754914 -2.128414 ESP Fit Center 2953 is at 0.964656 3.523918 -2.128414 ESP Fit Center 2954 is at 3.210497 1.577885 -2.128414 ESP Fit Center 2955 is at 3.387989 1.966537 -2.128414 ESP Fit Center 2956 is at 3.144778 2.389450 -2.432430 ESP Fit Center 2957 is at 3.072584 2.798883 -2.432430 ESP Fit Center 2958 is at 2.864710 3.158932 -2.432430 ESP Fit Center 2959 is at 2.546228 3.426170 -2.432430 ESP Fit Center 2960 is at 2.155552 3.568364 -2.432430 ESP Fit Center 2961 is at 1.739804 3.568364 -2.432430 ESP Fit Center 2962 is at 1.349128 3.426170 -2.432430 ESP Fit Center 2963 is at 1.030646 3.158932 -2.432430 ESP Fit Center 2964 is at 2.864710 1.619969 -2.432430 ESP Fit Center 2965 is at 3.072584 1.980018 -2.432430 ESP Fit Center 2966 is at 2.780735 2.389450 -2.661174 ESP Fit Center 2967 is at 2.669126 2.805979 -2.661174 ESP Fit Center 2968 is at 2.364206 3.110899 -2.661174 ESP Fit Center 2969 is at 1.947678 3.222507 -2.661174 ESP Fit Center 2970 is at 1.531150 3.110899 -2.661174 ESP Fit Center 2971 is at 1.226230 2.805979 -2.661174 ESP Fit Center 2972 is at 2.669126 1.972922 -2.661174 ESP Fit Center 2973 is at 2.374918 2.389450 -2.803175 ESP Fit Center 2974 is at 2.161298 2.759451 -2.803175 ESP Fit Center 2975 is at 1.734058 2.759451 -2.803175 ESP Fit Center 2976 is at 1.947678 2.389450 -2.851313 ESP Fit Center 2977 is at -0.632868 1.548564 -2.809472 ESP Fit Center 2978 is at -0.327476 1.243172 -2.809472 ESP Fit Center 2979 is at -0.121490 1.599951 -2.908378 ESP Fit Center 2980 is at 0.805397 2.642158 3.759527 ESP Fit Center 2981 is at 0.594211 3.007943 3.759527 ESP Fit Center 2982 is at 0.594211 2.276372 3.759527 ESP Fit Center 2983 is at 1.217370 2.642158 3.660621 ESP Fit Center 2984 is at 1.105589 3.059330 3.660621 ESP Fit Center 2985 is at 0.800197 3.364722 3.660621 ESP Fit Center 2986 is at 0.383024 3.476503 3.660621 ESP Fit Center 2987 is at 0.800197 1.919593 3.660621 ESP Fit Center 2988 is at 1.105589 2.224985 3.660621 ESP Fit Center 2989 is at 1.534875 3.061397 3.498486 ESP Fit Center 2990 is at 1.322022 3.430070 3.498486 ESP Fit Center 2991 is at 0.995911 3.703709 3.498486 ESP Fit Center 2992 is at 0.595878 3.849310 3.498486 ESP Fit Center 2993 is at 0.170171 3.849310 3.498486 ESP Fit Center 2994 is at 0.595878 1.435005 3.498486 ESP Fit Center 2995 is at 1.757424 3.435668 3.277115 ESP Fit Center 2996 is at 1.505217 3.764350 3.277115 ESP Fit Center 2997 is at 1.176534 4.016557 3.277115 ESP Fit Center 2998 is at 0.793775 4.175101 3.277115 ESP Fit Center 2999 is at 0.383024 4.229178 3.277115 ESP Fit Center 3000 is at -0.027727 4.175101 3.277115 ESP Fit Center 3001 is at 0.383024 1.055137 3.277115 ESP Fit Center 3002 is at 0.793775 1.109214 3.277115 ESP Fit Center 3003 is at 1.875688 3.832517 3.001957 ESP Fit Center 3004 is at 1.573384 4.134821 3.001957 ESP Fit Center 3005 is at 1.211390 4.362277 3.001957 ESP Fit Center 3006 is at 0.807858 4.503478 3.001957 ESP Fit Center 3007 is at 0.383024 4.551346 3.001957 ESP Fit Center 3008 is at -0.041810 4.503478 3.001957 ESP Fit Center 3009 is at -0.445342 4.362277 3.001957 ESP Fit Center 3010 is at 0.383024 0.732969 3.001957 ESP Fit Center 3011 is at 2.220613 3.823104 2.679789 ESP Fit Center 3012 is at 1.963910 4.149529 2.679789 ESP Fit Center 3013 is at -0.709149 4.533857 2.679789 ESP Fit Center 3014 is at 2.225911 4.188523 2.318543 ESP Fit Center 3015 is at -1.163341 4.485044 2.318543 ESP Fit Center 3016 is at 2.409421 4.219365 1.927115 ESP Fit Center 3017 is at -1.356135 4.531388 1.927115 ESP Fit Center 3018 is at 2.759123 3.852841 1.515142 ESP Fit Center 3019 is at 2.540477 4.209639 1.515142 ESP Fit Center 3020 is at -1.502659 4.527841 1.515142 ESP Fit Center 3021 is at -1.774429 4.209639 1.515142 ESP Fit Center 3022 is at 2.802671 3.840201 1.092769 ESP Fit Center 3023 is at -1.699997 4.360012 1.092769 ESP Fit Center 3024 is at 2.919262 3.466231 0.670396 ESP Fit Center 3025 is at 2.759123 3.852841 0.670396 ESP Fit Center 3026 is at -1.502659 4.527841 0.670396 ESP Fit Center 3027 is at 3.183908 1.552121 -2.496966 ESP Fit Center 3028 is at 2.877700 1.552121 -2.778850 ESP Fit Center 3029 is at 0.811552 3.010568 -2.778850 ESP Fit Center 3030 is at -0.089791 0.935470 -2.778850 ESP Fit Center 3031 is at 2.529271 1.552121 -3.006490 ESP Fit Center 3032 is at 2.456939 1.962336 -3.006490 ESP Fit Center 3033 is at 1.121612 2.733287 -3.006490 ESP Fit Center 3034 is at 0.730190 2.590821 -3.006490 ESP Fit Center 3035 is at 0.411100 2.323073 -3.006490 ESP Fit Center 3036 is at 0.202828 1.962336 -3.006490 ESP Fit Center 3037 is at 0.130496 1.552121 -3.006490 ESP Fit Center 3038 is at 0.202828 1.141907 -3.006490 ESP Fit Center 3039 is at 0.411100 0.781170 -3.006490 ESP Fit Center 3040 is at 2.456939 1.141907 -3.006490 ESP Fit Center 3041 is at 2.148126 1.552121 -3.173675 ESP Fit Center 3042 is at 2.038503 1.961243 -3.173675 ESP Fit Center 3043 is at 1.739005 2.260740 -3.173675 ESP Fit Center 3044 is at 1.329884 2.370364 -3.173675 ESP Fit Center 3045 is at 0.920762 2.260740 -3.173675 ESP Fit Center 3046 is at 0.621265 1.961243 -3.173675 ESP Fit Center 3047 is at 0.511641 1.552121 -3.173675 ESP Fit Center 3048 is at 0.621265 1.143000 -3.173675 ESP Fit Center 3049 is at 0.920762 0.843502 -3.173675 ESP Fit Center 3050 is at 2.038503 1.143000 -3.173675 ESP Fit Center 3051 is at 1.744662 1.552121 -3.275847 ESP Fit Center 3052 is at 1.537273 1.911330 -3.275847 ESP Fit Center 3053 is at 1.122494 1.911330 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Fit Center 3072 is at -2.570305 -2.795721 2.537497 ESP Fit Center 3073 is at -4.197708 -1.615649 2.370312 ESP Fit Center 3074 is at -4.405979 -1.976385 2.370312 ESP Fit Center 3075 is at -4.478311 -2.386600 2.370312 ESP Fit Center 3076 is at -4.405979 -2.796815 2.370312 ESP Fit Center 3077 is at -4.197708 -3.157551 2.370312 ESP Fit Center 3078 is at -3.878617 -3.425300 2.370312 ESP Fit Center 3079 is at -3.487195 -3.567766 2.370312 ESP Fit Center 3080 is at -3.070652 -3.567766 2.370312 ESP Fit Center 3081 is at -2.679230 -3.425300 2.370312 ESP Fit Center 3082 is at -2.360140 -3.157551 2.370312 ESP Fit Center 3083 is at -4.479582 -1.409792 2.142672 ESP Fit Center 3084 is at -4.698598 -1.769949 2.142672 ESP Fit Center 3085 is at -4.812323 -2.175839 2.142672 ESP Fit Center 3086 is at -4.812323 -2.597361 2.142672 ESP Fit Center 3087 is at -4.698598 -3.003252 2.142672 ESP Fit Center 3088 is at -4.479582 -3.363408 2.142672 ESP Fit Center 3089 is at -4.171519 -3.651119 2.142672 ESP Fit Center 3090 is at -3.797256 -3.845047 2.142672 ESP Fit Center 3091 is at -3.384550 -3.930808 2.142672 ESP Fit Center 3092 is at -2.964011 -3.902042 2.142672 ESP Fit Center 3093 is at -2.566828 -3.760883 2.142672 ESP Fit Center 3094 is at -2.222457 -3.517800 2.142672 ESP Fit Center 3095 is at -1.956440 -3.190820 2.142672 ESP Fit Center 3096 is at -4.827938 -1.367797 1.860787 ESP Fit Center 3097 is at -5.021137 -1.752486 1.860787 ESP Fit Center 3098 is at -5.120412 -2.171361 1.860787 ESP Fit Center 3099 is at -5.120412 -2.601839 1.860787 ESP Fit Center 3100 is at -5.021137 -3.020714 1.860787 ESP Fit Center 3101 is at -4.827938 -3.405403 1.860787 ESP Fit Center 3102 is at -4.551232 -3.735168 1.860787 ESP Fit Center 3103 is at -4.205936 -3.992232 1.860787 ESP Fit Center 3104 is at -3.810664 -4.162736 1.860787 ESP Fit Center 3105 is at -3.386726 -4.237488 1.860787 ESP Fit Center 3106 is at -2.956976 -4.212458 1.860787 ESP Fit Center 3107 is at -2.544582 -4.088995 1.860787 ESP Fit Center 3108 is at -2.171777 -3.873756 1.860787 ESP Fit Center 3109 is at -1.858659 -3.578344 1.860787 ESP Fit Center 3110 is at -5.123497 -1.362778 1.532347 ESP Fit Center 3111 is at -5.291833 -1.755046 1.532347 ESP Fit Center 3112 is at -5.377759 -2.173169 1.532347 ESP Fit Center 3113 is at -5.377759 -2.600031 1.532347 ESP Fit Center 3114 is at -5.291833 -3.018154 1.532347 ESP Fit Center 3115 is at -5.123497 -3.410422 1.532347 ESP Fit Center 3116 is at -4.879645 -3.760774 1.532347 ESP Fit Center 3117 is at -4.570259 -4.054868 1.532347 ESP Fit Center 3118 is at -4.208005 -4.280662 1.532347 ESP Fit Center 3119 is at -3.807715 -4.428913 1.532347 ESP Fit Center 3120 is at -3.385776 -4.493552 1.532347 ESP Fit Center 3121 is at -2.959463 -4.471932 1.532347 ESP Fit Center 3122 is at -2.546228 -4.364938 1.532347 ESP Fit Center 3123 is at -2.162990 -4.176951 1.532347 ESP Fit Center 3124 is at -1.825438 -3.915666 1.532347 ESP Fit Center 3125 is at -5.430835 -1.552945 1.166310 ESP Fit Center 3126 is at -5.547379 -1.962552 1.166310 ESP Fit Center 3127 is at -5.586672 -2.386600 1.166310 ESP Fit Center 3128 is at -5.547379 -2.810648 1.166310 ESP Fit Center 3129 is at -5.430835 -3.220255 1.166310 ESP Fit Center 3130 is at -5.241011 -3.601473 1.166310 ESP Fit Center 3131 is at -4.984371 -3.941320 1.166310 ESP Fit Center 3132 is at -4.669653 -4.228223 1.166310 ESP Fit Center 3133 is at -4.307576 -4.452412 1.166310 ESP Fit Center 3134 is at -3.910469 -4.606252 1.166310 ESP Fit Center 3135 is at -3.491856 -4.684504 1.166310 ESP Fit Center 3136 is at -3.065991 -4.684504 1.166310 ESP Fit Center 3137 is at -2.647378 -4.606252 1.166310 ESP Fit Center 3138 is at -2.250271 -4.452412 1.166310 ESP Fit Center 3139 is at -1.888194 -4.228223 1.166310 ESP Fit Center 3140 is at -5.574488 -1.551083 0.772661 ESP Fit Center 3141 is at -5.684699 -1.962397 0.772661 ESP Fit Center 3142 is at -5.721812 -2.386600 0.772661 ESP Fit Center 3143 is at -5.684699 -2.810803 0.772661 ESP Fit Center 3144 is at -5.574488 -3.222117 0.772661 ESP Fit Center 3145 is at -5.394527 -3.608044 0.772661 ESP Fit Center 3146 is at -5.150285 -3.956859 0.772661 ESP Fit Center 3147 is at -4.849182 -4.257961 0.772661 ESP Fit Center 3148 is at -4.500368 -4.502204 0.772661 ESP Fit Center 3149 is at -4.114441 -4.682165 0.772661 ESP Fit Center 3150 is at -3.703127 -4.792376 0.772661 ESP Fit Center 3151 is at -3.278924 -4.829489 0.772661 ESP Fit Center 3152 is at -2.854720 -4.792376 0.772661 ESP Fit Center 3153 is at -2.443406 -4.682165 0.772661 ESP Fit Center 3154 is at -2.057479 -4.502204 0.772661 ESP Fit Center 3155 is at -5.709281 -1.753784 0.362138 ESP Fit Center 3156 is at -5.781269 -2.173619 0.362138 ESP Fit Center 3157 is at -5.781269 -2.599581 0.362138 ESP Fit Center 3158 is at -5.709281 -3.019416 0.362138 ESP Fit Center 3159 is at -5.567376 -3.421046 0.362138 ESP Fit Center 3160 is at -5.359637 -3.792917 0.362138 ESP Fit Center 3161 is at -5.092039 -4.124330 0.362138 ESP Fit Center 3162 is at -4.772281 -4.405753 0.362138 ESP Fit Center 3163 is at -4.409562 -4.629088 0.362138 ESP Fit Center 3164 is at -4.014317 -4.787910 0.362138 ESP Fit Center 3165 is at -3.597915 -4.877652 0.362138 ESP Fit Center 3166 is at -3.172337 -4.895730 0.362138 ESP Fit Center 3167 is at -2.749825 -4.841625 0.362138 ESP Fit Center 3168 is at -2.342534 -4.716894 0.362138 ESP Fit Center 3169 is at -1.962182 -4.525124 0.362138 ESP Fit Center 3170 is at -5.709281 -1.753784 -0.054062 ESP Fit Center 3171 is at -5.781269 -2.173619 -0.054062 ESP Fit Center 3172 is at -5.781269 -2.599581 -0.054062 ESP Fit Center 3173 is at -5.709281 -3.019416 -0.054062 ESP Fit Center 3174 is at -5.567376 -3.421046 -0.054062 ESP Fit Center 3175 is at -5.359637 -3.792917 -0.054062 ESP Fit Center 3176 is at -5.092039 -4.124330 -0.054062 ESP Fit Center 3177 is at -4.772281 -4.405753 -0.054062 ESP Fit Center 3178 is at -4.409562 -4.629088 -0.054062 ESP Fit Center 3179 is at -4.014317 -4.787910 -0.054062 ESP Fit Center 3180 is at -3.597915 -4.877652 -0.054062 ESP Fit Center 3181 is at -3.172337 -4.895730 -0.054062 ESP Fit Center 3182 is at -2.749825 -4.841625 -0.054062 ESP Fit Center 3183 is at -2.342534 -4.716894 -0.054062 ESP Fit Center 3184 is at -1.962182 -4.525124 -0.054062 ESP Fit Center 3185 is at -5.574488 -1.551083 -0.464586 ESP Fit Center 3186 is at -5.684699 -1.962397 -0.464586 ESP Fit Center 3187 is at -5.721812 -2.386600 -0.464586 ESP Fit Center 3188 is at -5.684699 -2.810803 -0.464586 ESP Fit Center 3189 is at -5.574488 -3.222117 -0.464586 ESP Fit Center 3190 is at -5.394527 -3.608044 -0.464586 ESP Fit Center 3191 is at -5.150285 -3.956859 -0.464586 ESP Fit Center 3192 is at -4.849182 -4.257961 -0.464586 ESP Fit Center 3193 is at -4.500368 -4.502204 -0.464586 ESP Fit Center 3194 is at -4.114441 -4.682165 -0.464586 ESP Fit Center 3195 is at -3.703127 -4.792376 -0.464586 ESP Fit Center 3196 is at -3.278924 -4.829489 -0.464586 ESP Fit Center 3197 is at -2.854720 -4.792376 -0.464586 ESP Fit Center 3198 is at -2.443406 -4.682165 -0.464586 ESP Fit Center 3199 is at -2.057479 -4.502204 -0.464586 ESP Fit Center 3200 is at -5.430835 -1.552945 -0.858235 ESP Fit Center 3201 is at -5.547379 -1.962552 -0.858235 ESP Fit Center 3202 is at -5.586672 -2.386600 -0.858235 ESP Fit Center 3203 is at -5.547379 -2.810648 -0.858235 ESP Fit Center 3204 is at -5.430835 -3.220255 -0.858235 ESP Fit Center 3205 is at -5.241011 -3.601473 -0.858235 ESP Fit Center 3206 is at -4.984371 -3.941320 -0.858235 ESP Fit Center 3207 is at -4.669653 -4.228223 -0.858235 ESP Fit Center 3208 is at -4.307576 -4.452412 -0.858235 ESP Fit Center 3209 is at -3.910469 -4.606252 -0.858235 ESP Fit Center 3210 is at -3.491856 -4.684504 -0.858235 ESP Fit Center 3211 is at -3.065991 -4.684504 -0.858235 ESP Fit Center 3212 is at -2.647378 -4.606252 -0.858235 ESP Fit Center 3213 is at -2.250271 -4.452412 -0.858235 ESP Fit Center 3214 is at -1.888194 -4.228223 -0.858235 ESP Fit Center 3215 is at -5.291833 -1.755046 -1.224272 ESP Fit Center 3216 is at -5.377759 -2.173169 -1.224272 ESP Fit Center 3217 is at -5.377759 -2.600031 -1.224272 ESP Fit Center 3218 is at -5.291833 -3.018154 -1.224272 ESP Fit Center 3219 is at -5.123497 -3.410422 -1.224272 ESP Fit Center 3220 is at -4.879645 -3.760774 -1.224272 ESP Fit Center 3221 is at -4.570259 -4.054868 -1.224272 ESP Fit Center 3222 is at -4.208005 -4.280662 -1.224272 ESP Fit Center 3223 is at -3.807715 -4.428913 -1.224272 ESP Fit Center 3224 is at -3.385776 -4.493552 -1.224272 ESP Fit Center 3225 is at -2.959463 -4.471932 -1.224272 ESP Fit Center 3226 is at -2.546228 -4.364938 -1.224272 ESP Fit Center 3227 is at -2.162990 -4.176951 -1.224272 ESP Fit Center 3228 is at -1.825438 -3.915666 -1.224272 ESP Fit Center 3229 is at -4.827938 -1.367797 -1.552712 ESP Fit Center 3230 is at -5.021137 -1.752486 -1.552712 ESP Fit Center 3231 is at -5.120412 -2.171361 -1.552712 ESP Fit Center 3232 is at -5.120412 -2.601839 -1.552712 ESP Fit Center 3233 is at -5.021137 -3.020714 -1.552712 ESP Fit Center 3234 is at -4.827938 -3.405403 -1.552712 ESP Fit Center 3235 is at -4.551232 -3.735168 -1.552712 ESP Fit Center 3236 is at -4.205936 -3.992232 -1.552712 ESP Fit Center 3237 is at -3.810664 -4.162736 -1.552712 ESP Fit Center 3238 is at -3.386726 -4.237488 -1.552712 ESP Fit Center 3239 is at -2.956976 -4.212458 -1.552712 ESP Fit Center 3240 is at -2.544582 -4.088995 -1.552712 ESP Fit Center 3241 is at -2.171777 -3.873756 -1.552712 ESP Fit Center 3242 is at -1.858659 -3.578344 -1.552712 ESP Fit Center 3243 is at -4.698598 -1.769949 -1.834596 ESP Fit Center 3244 is at -4.812323 -2.175839 -1.834596 ESP Fit Center 3245 is at -4.812323 -2.597361 -1.834596 ESP Fit Center 3246 is at -4.698598 -3.003252 -1.834596 ESP Fit Center 3247 is at -4.479582 -3.363408 -1.834596 ESP Fit Center 3248 is at -4.171519 -3.651119 -1.834596 ESP Fit Center 3249 is at -3.797256 -3.845047 -1.834596 ESP Fit Center 3250 is at -3.384550 -3.930808 -1.834596 ESP Fit Center 3251 is at -2.964011 -3.902042 -1.834596 ESP Fit Center 3252 is at -2.566828 -3.760883 -1.834596 ESP Fit Center 3253 is at -2.222457 -3.517800 -1.834596 ESP Fit Center 3254 is at -4.197708 -1.615649 -2.062236 ESP Fit Center 3255 is at -4.405979 -1.976385 -2.062236 ESP Fit Center 3256 is at -4.478311 -2.386600 -2.062236 ESP Fit Center 3257 is at -4.405979 -2.796815 -2.062236 ESP Fit Center 3258 is at -4.197708 -3.157551 -2.062236 ESP Fit Center 3259 is at -3.878617 -3.425300 -2.062236 ESP Fit Center 3260 is at -3.487195 -3.567766 -2.062236 ESP Fit Center 3261 is at -3.070652 -3.567766 -2.062236 ESP Fit Center 3262 is at -2.679230 -3.425300 -2.062236 ESP Fit Center 3263 is at -2.360140 -3.157551 -2.062236 ESP Fit Center 3264 is at -3.987543 -1.977479 -2.229422 ESP Fit Center 3265 is at -4.097166 -2.386600 -2.229422 ESP Fit Center 3266 is at -3.987543 -2.795721 -2.229422 ESP Fit Center 3267 is at -3.688045 -3.095219 -2.229422 ESP Fit Center 3268 is at -3.278924 -3.204843 -2.229422 ESP Fit Center 3269 is at -2.869802 -3.095219 -2.229422 ESP Fit Center 3270 is at -3.693702 -2.386600 -2.331593 ESP Fit Center 3271 is at -3.486313 -2.745809 -2.331593 ESP Fit Center 3272 is at -3.071534 -2.745809 -2.331593 ESP Fit Center 3273 is at -3.278924 -2.386600 -2.365962 ESP Fit Center 3274 is at -2.479338 -1.448970 2.766154 ESP Fit Center 3275 is at -2.056965 -1.448970 2.732913 ESP Fit Center 3276 is at -2.268152 -1.083185 2.732913 ESP Fit Center 3277 is at -2.690525 -1.083185 2.732913 ESP Fit Center 3278 is at -2.901711 -1.448970 2.732913 ESP Fit Center 3279 is at -2.690525 -1.814756 2.732913 ESP Fit Center 3280 is at -2.268152 -1.814756 2.732913 ESP Fit Center 3281 is at -2.062165 -0.726406 2.634007 ESP Fit Center 3282 is at -2.479338 -0.614624 2.634007 ESP Fit Center 3283 is at -2.896511 -0.726406 2.634007 ESP Fit Center 3284 is at -3.201903 -1.031797 2.634007 ESP Fit Center 3285 is at -3.313684 -1.448970 2.634007 ESP Fit Center 3286 is at -3.201903 -1.866143 2.634007 ESP Fit Center 3287 is at -2.479338 -2.283316 2.634007 ESP Fit Center 3288 is at -2.062165 -2.171535 2.634007 ESP Fit Center 3289 is at -1.866451 -0.387419 2.471872 ESP Fit Center 3290 is at -3.631189 -1.029731 2.471872 ESP Fit Center 3291 is at -3.705113 -1.448970 2.471872 ESP Fit Center 3292 is at -2.266485 -2.656122 2.471872 ESP Fit Center 3293 is at -2.068587 -2.981914 -2.118192 ESP Fit Center 3294 is at -3.705113 -1.448970 -2.339563 ESP Fit Center 3295 is at -3.631189 -1.868210 -2.339563 ESP Fit Center 3296 is at -2.692192 -2.656122 -2.339563 ESP Fit Center 3297 is at -2.266485 -2.656122 -2.339563 ESP Fit Center 3298 is at -1.866451 -2.510522 -2.339563 ESP Fit Center 3299 is at -1.756773 -1.031797 -2.501698 ESP Fit Center 3300 is at -3.313684 -1.448970 -2.501698 ESP Fit Center 3301 is at -3.201903 -1.866143 -2.501698 ESP Fit Center 3302 is at -2.896511 -2.171535 -2.501698 ESP Fit Center 3303 is at -2.479338 -2.283316 -2.501698 ESP Fit Center 3304 is at -2.062165 -2.171535 -2.501698 ESP Fit Center 3305 is at -1.756773 -1.866143 -2.501698 ESP Fit Center 3306 is at -2.056965 -1.448970 -2.600604 ESP Fit Center 3307 is at -2.268152 -1.083185 -2.600604 ESP Fit Center 3308 is at -2.690525 -1.083185 -2.600604 ESP Fit Center 3309 is at -2.901711 -1.448970 -2.600604 ESP Fit Center 3310 is at -2.690525 -1.814756 -2.600604 ESP Fit Center 3311 is at -2.268152 -1.814756 -2.600604 ESP Fit Center 3312 is at -2.479338 -1.448970 -2.633846 ESP Fit Center 3313 is at -2.927815 -0.151012 2.646199 ESP Fit Center 3314 is at -2.505442 -0.151012 2.612958 ESP Fit Center 3315 is at -2.716629 0.214774 2.612958 ESP Fit Center 3316 is at -3.139002 0.214774 2.612958 ESP Fit Center 3317 is at -3.350188 -0.151012 2.612958 ESP Fit Center 3318 is at -3.139002 -0.516798 2.612958 ESP Fit Center 3319 is at -2.716629 -0.516798 2.612958 ESP Fit Center 3320 is at -2.093469 -0.151012 2.514052 ESP Fit Center 3321 is at -2.205250 0.266161 2.514052 ESP Fit Center 3322 is at -2.510642 0.571553 2.514052 ESP Fit Center 3323 is at -2.927815 0.683334 2.514052 ESP Fit Center 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is at -4.934794 2.929627 0.355554 ESP Fit Center 3471 is at -5.045005 2.518313 0.355554 ESP Fit Center 3472 is at -5.082118 2.094109 0.355554 ESP Fit Center 3473 is at -1.702840 4.424403 -0.054970 ESP Fit Center 3474 is at -2.110131 4.549135 -0.054970 ESP Fit Center 3475 is at -2.532643 4.603240 -0.054970 ESP Fit Center 3476 is at -2.958221 4.585161 -0.054970 ESP Fit Center 3477 is at -3.374622 4.495420 -0.054970 ESP Fit Center 3478 is at -3.769868 4.336597 -0.054970 ESP Fit Center 3479 is at -4.132587 4.113262 -0.054970 ESP Fit Center 3480 is at -4.452345 3.831840 -0.054970 ESP Fit Center 3481 is at -4.719943 3.500426 -0.054970 ESP Fit Center 3482 is at -4.927682 3.128555 -0.054970 ESP Fit Center 3483 is at -5.069587 2.726925 -0.054970 ESP Fit Center 3484 is at -5.141575 2.307090 -0.054970 ESP Fit Center 3485 is at -5.141575 1.881128 -0.054970 ESP Fit Center 3486 is at -1.702840 4.424403 -0.471170 ESP Fit Center 3487 is at -2.110131 4.549135 -0.471170 ESP Fit Center 3488 is at 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3.664368 -0.881693 ESP Fit Center 3507 is at -4.754833 3.315554 -0.881693 ESP Fit Center 3508 is at -4.934794 2.929627 -0.881693 ESP Fit Center 3509 is at -5.045005 2.518313 -0.881693 ESP Fit Center 3510 is at -5.082118 2.094109 -0.881693 ESP Fit Center 3511 is at -5.045005 1.669906 -0.881693 ESP Fit Center 3512 is at -2.007684 4.313761 -1.275342 ESP Fit Center 3513 is at -2.426297 4.392014 -1.275342 ESP Fit Center 3514 is at -2.852161 4.392014 -1.275342 ESP Fit Center 3515 is at -3.270775 4.313761 -1.275342 ESP Fit Center 3516 is at -3.667881 4.159921 -1.275342 ESP Fit Center 3517 is at -4.029959 3.935733 -1.275342 ESP Fit Center 3518 is at -4.344676 3.648830 -1.275342 ESP Fit Center 3519 is at -4.601317 3.308983 -1.275342 ESP Fit Center 3520 is at -4.791141 2.927765 -1.275342 ESP Fit Center 3521 is at -4.907684 2.518157 -1.275342 ESP Fit Center 3522 is at -4.946978 2.094109 -1.275342 ESP Fit Center 3523 is at -4.907684 1.670062 -1.275342 ESP Fit Center 3524 is at -1.906533 4.072447 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ESP Fit Center 3543 is at -4.381442 2.728223 -1.969819 ESP Fit Center 3544 is at -4.480717 2.309349 -1.969819 ESP Fit Center 3545 is at -4.480717 1.878870 -1.969819 ESP Fit Center 3546 is at -4.381442 1.459996 -1.969819 ESP Fit Center 3547 is at -1.927133 3.468392 -2.251704 ESP Fit Center 3548 is at -2.324317 3.609552 -2.251704 ESP Fit Center 3549 is at -2.744856 3.638317 -2.251704 ESP Fit Center 3550 is at -3.157561 3.552556 -2.251704 ESP Fit Center 3551 is at -3.531824 3.358629 -2.251704 ESP Fit Center 3552 is at -3.839888 3.070918 -2.251704 ESP Fit Center 3553 is at -4.058904 2.710761 -2.251704 ESP Fit Center 3554 is at -4.172629 2.304870 -2.251704 ESP Fit Center 3555 is at -4.172629 1.883349 -2.251704 ESP Fit Center 3556 is at -4.058904 1.477458 -2.251704 ESP Fit Center 3557 is at -2.039536 3.132809 -2.479343 ESP Fit Center 3558 is at -2.430958 3.275276 -2.479343 ESP Fit Center 3559 is at -2.847501 3.275276 -2.479343 ESP Fit Center 3560 is at -3.238923 3.132809 -2.479343 ESP Fit Center 3561 is at -3.558013 2.865061 -2.479343 ESP Fit Center 3562 is at -3.766285 2.504324 -2.479343 ESP Fit Center 3563 is at -3.838617 2.094109 -2.479343 ESP Fit Center 3564 is at -3.766285 1.683895 -2.479343 ESP Fit Center 3565 is at -3.558013 1.323158 -2.479343 ESP Fit Center 3566 is at -1.820987 2.094109 -2.646529 ESP Fit Center 3567 is at -1.930610 2.503231 -2.646529 ESP Fit Center 3568 is at -2.230108 2.802728 -2.646529 ESP Fit Center 3569 is at -2.639229 2.912352 -2.646529 ESP Fit Center 3570 is at -3.048351 2.802728 -2.646529 ESP Fit Center 3571 is at -3.347848 2.503231 -2.646529 ESP Fit Center 3572 is at -3.457472 2.094109 -2.646529 ESP Fit Center 3573 is at -3.347848 1.684988 -2.646529 ESP Fit Center 3574 is at -2.224451 2.094109 -2.748700 ESP Fit Center 3575 is at -2.431840 2.453318 -2.748700 ESP Fit Center 3576 is at -2.846618 2.453318 -2.748700 ESP Fit Center 3577 is at -3.054008 2.094109 -2.748700 ESP Fit Center 3578 is at -2.846618 1.734901 -2.748700 ESP Fit Center 3579 is at -2.431840 1.734901 -2.748700 ESP Fit Center 3580 is at -2.639229 2.094109 -2.783070 ESP Fit Center 3581 is at -1.006003 0.405046 2.531402 ESP Fit Center 3582 is at -0.583630 0.405046 2.531402 ESP Fit Center 3583 is at -1.517381 0.353659 2.432496 ESP Fit Center 3584 is at -1.407704 -0.290720 -2.541074 ESP Fit Center 3585 is at -1.211989 1.493396 -2.703209 ESP Fit Center 3586 is at -1.211989 0.048267 -2.703209 ESP Fit Center 3587 is at -0.794817 -0.063514 -2.703209 ESP Fit Center 3588 is at -0.377644 0.048267 -2.703209 ESP Fit Center 3589 is at -0.372443 0.770832 -2.802115 ESP Fit Center 3590 is at -0.583630 1.136618 -2.802115 ESP Fit Center 3591 is at -1.006003 1.136618 -2.802115 ESP Fit Center 3592 is at -1.217190 0.770832 -2.802115 ESP Fit Center 3593 is at -1.006003 0.405046 -2.802115 ESP Fit Center 3594 is at -0.583630 0.405046 -2.802115 ESP Fit Center 3595 is at -0.794817 0.770832 -2.835357 ESP Fit Center 3596 is at -0.678042 -0.485833 2.653932 ESP Fit Center 3597 is at 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-3.727516 -1.499424 ESP Fit Center 3634 is at -1.866779 -3.285523 -1.821592 ESP Fit Center 3635 is at -1.463248 -3.426724 -1.821592 ESP Fit Center 3636 is at -1.038413 -3.474592 -1.821592 ESP Fit Center 3637 is at -0.613579 -3.426724 -1.821592 ESP Fit Center 3638 is at -0.210048 -3.285523 -1.821592 ESP Fit Center 3639 is at -1.831923 -2.939803 -2.096750 ESP Fit Center 3640 is at -1.449164 -3.098347 -2.096750 ESP Fit Center 3641 is at -1.038413 -3.152424 -2.096750 ESP Fit Center 3642 is at -0.627662 -3.098347 -2.096750 ESP Fit Center 3643 is at -0.244903 -2.939803 -2.096750 ESP Fit Center 3644 is at -1.651300 -2.626955 -2.318121 ESP Fit Center 3645 is at -1.251267 -2.772555 -2.318121 ESP Fit Center 3646 is at -0.825560 -2.772555 -2.318121 ESP Fit Center 3647 is at -0.425526 -2.626955 -2.318121 ESP Fit Center 3648 is at -1.455586 -0.842839 -2.480256 ESP Fit Center 3649 is at -1.455586 -2.287968 -2.480256 ESP Fit Center 3650 is at -1.038413 -2.399749 -2.480256 ESP Fit Center 3651 is at 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4.380147 -2.148200 ESP Fit Center 3688 is at -1.262422 4.214982 -2.148200 ESP Fit Center 3689 is at -1.596908 3.965967 -2.148200 ESP Fit Center 3690 is at -1.864950 3.646527 -2.148200 ESP Fit Center 3691 is at 0.678063 3.775865 -2.475519 ESP Fit Center 3692 is at 0.338245 4.015735 -2.475519 ESP Fit Center 3693 is at -0.053687 4.155027 -2.475519 ESP Fit Center 3694 is at -0.468665 4.183413 -2.475519 ESP Fit Center 3695 is at -0.875914 4.098786 -2.475519 ESP Fit Center 3696 is at -1.245228 3.907422 -2.475519 ESP Fit Center 3697 is at -1.549218 3.623515 -2.475519 ESP Fit Center 3698 is at -1.765339 3.268121 -2.475519 ESP Fit Center 3699 is at 0.763226 3.070058 -2.744143 ESP Fit Center 3700 is at 0.554842 3.430988 -2.744143 ESP Fit Center 3701 is at 0.235581 3.698881 -2.744143 ESP Fit Center 3702 is at -0.156052 3.841423 -2.744143 ESP Fit Center 3703 is at -0.572819 3.841423 -2.744143 ESP Fit Center 3704 is at -0.964451 3.698881 -2.744143 ESP Fit Center 3705 is at -1.283713 3.430988 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Fit Center 3724 is at -0.575133 3.024562 -3.066664 ESP Fit Center 3725 is at -0.785830 2.659623 -3.066664 ESP Fit Center 3726 is at -0.575133 2.294684 -3.066664 ESP Fit Center 3727 is at -0.153738 2.294684 -3.066664 ESP Fit Center 3728 is at -0.364435 2.659623 -3.108168 ESP Fit Center 3729 is at 1.414182 4.493187 2.792565 ESP Fit Center 3730 is at 1.094920 4.761079 2.792565 ESP Fit Center 3731 is at 0.703287 4.903622 2.792565 ESP Fit Center 3732 is at 0.286521 4.903622 2.792565 ESP Fit Center 3733 is at -0.105112 4.761079 2.792565 ESP Fit Center 3734 is at 1.799902 4.515408 2.523941 ESP Fit Center 3735 is at 1.537402 4.838064 2.523941 ESP Fit Center 3736 is at 1.197585 5.077933 2.523941 ESP Fit Center 3737 is at 0.805653 5.217226 2.523941 ESP Fit Center 3738 is at 0.390674 5.245611 2.523941 ESP Fit Center 3739 is at -0.016574 5.160984 2.523941 ESP Fit Center 3740 is at -0.385889 4.969621 2.523941 ESP Fit Center 3741 is at -0.689879 4.685714 2.523941 ESP Fit Center 3742 is at 2.099845 4.527853 2.196622 ESP Fit Center 3743 is at 1.870700 4.876251 2.196622 ESP Fit Center 3744 is at 1.567386 5.162414 2.196622 ESP Fit Center 3745 is at 1.206253 5.370914 2.196622 ESP Fit Center 3746 is at 0.806772 5.490511 2.196622 ESP Fit Center 3747 is at 0.390478 5.514757 2.196622 ESP Fit Center 3748 is at -0.020187 5.442346 2.196622 ESP Fit Center 3749 is at -0.403083 5.277181 2.196622 ESP Fit Center 3750 is at -0.737568 5.028166 2.196622 ESP Fit Center 3751 is at -1.005611 4.708725 2.196622 ESP Fit Center 3752 is at 2.317957 4.533497 1.823187 ESP Fit Center 3753 is at 2.109362 4.894793 1.823187 ESP Fit Center 3754 is at 1.830208 5.204826 1.823187 ESP Fit Center 3755 is at 1.492694 5.450044 1.823187 ESP Fit Center 3756 is at 1.111572 5.619730 1.823187 ESP Fit Center 3757 is at 0.703499 5.706469 1.823187 ESP Fit Center 3758 is at 0.286309 5.706469 1.823187 ESP Fit Center 3759 is at -0.121764 5.619730 1.823187 ESP Fit Center 3760 is at -0.502886 5.450044 1.823187 ESP Fit Center 3761 is 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Center 3780 is at 1.004143 5.820934 0.996590 ESP Fit Center 3781 is at 0.597681 5.879375 0.996590 ESP Fit Center 3782 is at 0.187504 5.859835 0.996590 ESP Fit Center 3783 is at -0.211563 5.763023 0.996590 ESP Fit Center 3784 is at -0.585096 5.592436 0.996590 ESP Fit Center 3785 is at -0.919595 5.354240 0.996590 ESP Fit Center 3786 is at -1.202971 5.057045 0.996590 ESP Fit Center 3787 is at -1.424980 4.711590 0.996590 ESP Fit Center 3788 is at 2.572694 4.135119 0.575195 ESP Fit Center 3789 is at 2.452139 4.532535 0.575195 ESP Fit Center 3790 is at 2.256369 4.898795 0.575195 ESP Fit Center 3791 is at 1.992907 5.219824 0.575195 ESP Fit Center 3792 is at 1.671878 5.483286 0.575195 ESP Fit Center 3793 is at 1.305618 5.679056 0.575195 ESP Fit Center 3794 is at 0.908202 5.799611 0.575195 ESP Fit Center 3795 is at 0.494904 5.840317 0.575195 ESP Fit Center 3796 is at 0.081606 5.799611 0.575195 ESP Fit Center 3797 is at -0.315809 5.679056 0.575195 ESP Fit Center 3798 is at -0.682069 5.483286 0.575195 ESP Fit Center 3799 is at -1.003099 5.219824 0.575195 ESP Fit Center 3800 is at -1.266561 4.898795 0.575195 ESP Fit Center 3801 is at 2.317957 4.533497 0.169994 ESP Fit Center 3802 is at 2.109362 4.894793 0.169994 ESP Fit Center 3803 is at 1.830208 5.204826 0.169994 ESP Fit Center 3804 is at 1.492694 5.450044 0.169994 ESP Fit Center 3805 is at 1.111572 5.619730 0.169994 ESP Fit Center 3806 is at 0.703499 5.706469 0.169994 ESP Fit Center 3807 is at 0.286309 5.706469 0.169994 ESP Fit Center 3808 is at -0.121764 5.619730 0.169994 ESP Fit Center 3809 is at -0.502886 5.450044 0.169994 ESP Fit Center 3810 is at -0.840399 5.204826 0.169994 ESP Fit Center 3811 is at -1.119554 4.894793 0.169994 ESP Fit Center 3812 is at -1.328149 4.533497 0.169994 ESP Fit Center 3813 is at 2.099845 4.527853 -0.203441 ESP Fit Center 3814 is at 1.870700 4.876251 -0.203441 ESP Fit Center 3815 is at 1.567386 5.162414 -0.203441 ESP Fit Center 3816 is at 1.206253 5.370914 -0.203441 ESP Fit Center 3817 is at 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3.992485 ESP Fit Center 3836 is at 0.025119 2.459553 3.950981 ESP Fit Center 3837 is at -0.185579 2.824492 3.950981 ESP Fit Center 3838 is at -0.606974 2.824492 3.950981 ESP Fit Center 3839 is at -0.817671 2.459553 3.950981 ESP Fit Center 3840 is at -0.606974 2.094615 3.950981 ESP Fit Center 3841 is at -0.185579 2.094615 3.950981 ESP Fit Center 3842 is at 0.430320 2.459553 3.828065 ESP Fit Center 3843 is at 0.319577 2.872852 3.828065 ESP Fit Center 3844 is at 0.017022 3.175407 3.828065 ESP Fit Center 3845 is at -0.396276 3.286150 3.828065 ESP Fit Center 3846 is at -0.809574 3.175407 3.828065 ESP Fit Center 3847 is at -1.112129 2.872852 3.828065 ESP Fit Center 3848 is at -1.222872 2.459553 3.828065 ESP Fit Center 3849 is at -1.112129 2.046255 3.828065 ESP Fit Center 3850 is at -0.809574 1.743700 3.828065 ESP Fit Center 3851 is at -0.396276 1.632957 3.828065 ESP Fit Center 3852 is at 0.017022 1.743700 3.828065 ESP Fit Center 3853 is at 0.319577 2.046255 3.828065 ESP Fit Center 3854 is at -0.187893 3.641354 3.628459 ESP Fit Center 3855 is at -0.604659 3.641354 3.628459 ESP Fit Center 3856 is at -0.996292 3.498811 3.628459 ESP Fit Center 3857 is at -1.315554 3.230919 3.628459 ESP Fit Center 3858 is at -1.523937 2.869988 3.628459 ESP Fit Center 3859 is at -1.596308 2.459553 3.628459 ESP Fit Center 3860 is at -1.523937 2.049118 3.628459 ESP Fit Center 3861 is at -1.315554 1.688188 3.628459 ESP Fit Center 3862 is at -0.996292 1.420295 3.628459 ESP Fit Center 3863 is at -0.604659 1.277753 3.628459 ESP Fit Center 3864 is at -0.187893 1.277753 3.628459 ESP Fit Center 3865 is at 0.203740 1.420295 3.628459 ESP Fit Center 3866 is at 0.523001 1.688188 3.628459 ESP Fit Center 3867 is at -0.500506 3.983343 3.359836 ESP Fit Center 3868 is at -0.907755 3.898716 3.359836 ESP Fit Center 3869 is at -1.277069 3.707353 3.359836 ESP Fit Center 3870 is at -1.581059 3.423446 3.359836 ESP Fit Center 3871 is at -1.797179 3.068052 3.359836 ESP Fit Center 3872 is at -1.909401 2.667528 3.359836 ESP Fit Center 3873 is at -1.909401 2.251579 3.359836 ESP Fit Center 3874 is at -1.797179 1.851055 3.359836 ESP Fit Center 3875 is at -1.581059 1.495661 3.359836 ESP Fit Center 3876 is at -1.277069 1.211754 3.359836 ESP Fit Center 3877 is at -0.907755 1.020391 3.359836 ESP Fit Center 3878 is at -0.500506 0.935763 3.359836 ESP Fit Center 3879 is at -0.085527 0.964149 3.359836 ESP Fit Center 3880 is at 0.306404 1.103441 3.359836 ESP Fit Center 3881 is at -0.911367 4.180078 3.032517 ESP Fit Center 3882 is at -1.294263 4.014913 3.032517 ESP Fit Center 3883 is at -1.628749 3.765898 3.032517 ESP Fit Center 3884 is at -1.896791 3.446457 3.032517 ESP Fit Center 3885 is at -2.083940 3.073813 3.032517 ESP Fit Center 3886 is at -2.180107 2.668053 3.032517 ESP Fit Center 3887 is at -2.180107 2.251053 3.032517 ESP Fit Center 3888 is at -2.083940 1.845294 3.032517 ESP Fit Center 3889 is at -1.896791 1.472649 3.032517 ESP Fit Center 3890 is at -1.628749 1.153209 3.032517 ESP Fit Center 3891 is at 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ESP Fit Center 3910 is at -1.894279 3.957556 2.253880 ESP Fit Center 3911 is at -2.157741 3.636527 2.253880 ESP Fit Center 3912 is at -2.353511 3.270267 2.253880 ESP Fit Center 3913 is at -2.474066 2.872852 2.253880 ESP Fit Center 3914 is at -2.514772 2.459553 2.253880 ESP Fit Center 3915 is at -1.810775 4.091972 1.832485 ESP Fit Center 3916 is at -2.094151 3.794777 1.832485 ESP Fit Center 3917 is at -4.775239 -0.013832 1.926072 ESP Fit Center 3918 is at -4.867920 0.757533 1.726467 ESP Fit Center 3919 is at -5.076304 0.396603 1.726467 ESP Fit Center 3920 is at -5.148675 -0.013832 1.726467 ESP Fit Center 3921 is at -5.076304 -0.424267 1.726467 ESP Fit Center 3922 is at -4.867920 -0.785198 1.726467 ESP Fit Center 3923 is at -4.829436 1.233967 1.457843 ESP Fit Center 3924 is at -5.133426 0.950060 1.457843 ESP Fit Center 3925 is at -5.349546 0.594666 1.457843 ESP Fit Center 3926 is at -5.461768 0.194142 1.457843 ESP Fit Center 3927 is at -5.461768 -0.221807 1.457843 ESP Fit Center 3928 is at -5.349546 -0.622331 1.457843 ESP Fit Center 3929 is at -5.133426 -0.977725 1.457843 ESP Fit Center 3930 is at -4.846630 1.541527 1.130524 ESP Fit Center 3931 is at -5.181115 1.292512 1.130524 ESP Fit Center 3932 is at -5.449157 0.973072 1.130524 ESP Fit Center 3933 is at -5.636307 0.600427 1.130524 ESP Fit Center 3934 is at -5.732473 0.194667 1.130524 ESP Fit Center 3935 is at -5.732473 -0.222332 1.130524 ESP Fit Center 3936 is at -5.636307 -0.628092 1.130524 ESP Fit Center 3937 is at -5.449157 -1.000736 1.130524 ESP Fit Center 3938 is at -4.946433 1.714390 0.757089 ESP Fit Center 3939 is at -5.283946 1.469172 0.757089 ESP Fit Center 3940 is at -5.563101 1.159140 0.757089 ESP Fit Center 3941 is at -5.771696 0.797843 0.757089 ESP Fit Center 3942 is at -5.900614 0.401072 0.757089 ESP Fit Center 3943 is at -5.944223 -0.013832 0.757089 ESP Fit Center 3944 is at -5.900614 -0.428737 0.757089 ESP Fit Center 3945 is at -5.771696 -0.825508 0.757089 ESP Fit Center 3946 is at -5.563101 -1.186805 0.757089 ESP Fit Center 3947 is at -5.125616 1.747633 0.351887 ESP Fit Center 3948 is at -5.446646 1.484171 0.351887 ESP Fit Center 3949 is at -5.710108 1.163141 0.351887 ESP Fit Center 3950 is at -5.905878 0.796881 0.351887 ESP Fit Center 3951 is at -6.026433 0.399466 0.351887 ESP Fit Center 3952 is at -6.067139 -0.013832 0.351887 ESP Fit Center 3953 is at -6.026433 -0.427131 0.351887 ESP Fit Center 3954 is at -5.905878 -0.824546 0.351887 ESP Fit Center 3955 is at -5.710108 -1.190806 0.351887 ESP Fit Center 3956 is at -5.363142 1.618587 -0.069508 ESP Fit Center 3957 is at -5.646517 1.321391 -0.069508 ESP Fit Center 3958 is at -5.868527 0.975937 -0.069508 ESP Fit Center 3959 is at -6.021148 0.594710 -0.069508 ESP Fit Center 3960 is at -6.098862 0.191489 -0.069508 ESP Fit Center 3961 is at -6.098862 -0.219153 -0.069508 ESP Fit Center 3962 is at -6.021148 -0.622375 -0.069508 ESP Fit Center 3963 is at -5.868527 -1.003602 -0.069508 ESP Fit Center 3964 is at -5.646517 -1.349056 -0.069508 ESP Fit Center 3965 is at -5.125616 1.747633 -0.490903 ESP Fit Center 3966 is at -5.446646 1.484171 -0.490903 ESP Fit Center 3967 is at -5.710108 1.163141 -0.490903 ESP Fit Center 3968 is at -5.905878 0.796881 -0.490903 ESP Fit Center 3969 is at -6.026433 0.399466 -0.490903 ESP Fit Center 3970 is at -6.067139 -0.013832 -0.490903 ESP Fit Center 3971 is at -6.026433 -0.427131 -0.490903 ESP Fit Center 3972 is at -5.905878 -0.824546 -0.490903 ESP Fit Center 3973 is at -5.710108 -1.190806 -0.490903 ESP Fit Center 3974 is at -5.283946 1.469172 -0.896104 ESP Fit Center 3975 is at -5.563101 1.159140 -0.896104 ESP Fit Center 3976 is at -5.771696 0.797843 -0.896104 ESP Fit Center 3977 is at -5.900614 0.401072 -0.896104 ESP Fit Center 3978 is at -5.944223 -0.013832 -0.896104 ESP Fit Center 3979 is at -5.900614 -0.428737 -0.896104 ESP Fit Center 3980 is at -5.771696 -0.825508 -0.896104 ESP Fit Center 3981 is at -5.563101 -1.186805 -0.896104 ESP Fit Center 3982 is at -5.181115 1.292512 -1.269539 ESP Fit Center 3983 is at -5.449157 0.973072 -1.269539 ESP Fit Center 3984 is at -5.636307 0.600427 -1.269539 ESP Fit Center 3985 is at -5.732473 0.194667 -1.269539 ESP Fit Center 3986 is at -5.732473 -0.222332 -1.269539 ESP Fit Center 3987 is at -5.636307 -0.628092 -1.269539 ESP Fit Center 3988 is at -5.449157 -1.000736 -1.269539 ESP Fit Center 3989 is at -5.181115 -1.320177 -1.269539 ESP Fit Center 3990 is at -4.829436 1.233967 -1.596858 ESP Fit Center 3991 is at -5.133426 0.950060 -1.596858 ESP Fit Center 3992 is at -5.349546 0.594666 -1.596858 ESP Fit Center 3993 is at -5.461768 0.194142 -1.596858 ESP Fit Center 3994 is at -5.461768 -0.221807 -1.596858 ESP Fit Center 3995 is at -5.349546 -0.622331 -1.596858 ESP Fit Center 3996 is at -5.133426 -0.977725 -1.596858 ESP Fit Center 3997 is at -4.548659 1.025426 -1.865482 ESP Fit Center 3998 is at -4.867920 0.757533 -1.865482 ESP Fit Center 3999 is at -5.076304 0.396603 -1.865482 ESP Fit Center 4000 is at -5.148675 -0.013832 -1.865482 ESP Fit Center 4001 is at -5.076304 -0.424267 -1.865482 ESP Fit Center 4002 is at -4.867920 -0.785198 -1.865482 ESP Fit Center 4003 is at -4.664496 0.399466 -2.065087 ESP Fit Center 4004 is at -4.775239 -0.013832 -2.065087 ESP Fit Center 4005 is at 1.831306 -0.715415 3.600140 ESP Fit Center 4006 is at 2.247151 -0.715415 3.575920 ESP Fit Center 4007 is at 2.039228 -0.355283 3.575920 ESP Fit Center 4008 is at 1.623384 -0.355283 3.575920 ESP Fit Center 4009 is at 1.415461 -0.715415 3.575920 ESP Fit Center 4010 is at 1.623384 -1.075547 3.575920 ESP Fit Center 4011 is at 2.039228 -1.075547 3.575920 ESP Fit Center 4012 is at 2.657372 -0.715415 3.503587 ESP Fit Center 4013 is at 2.546700 -0.302382 3.503587 ESP Fit Center 4014 is at 2.244339 -0.000021 3.503587 ESP Fit Center 4015 is at 1.831306 0.110651 3.503587 ESP Fit Center 4016 is at 1.418273 -0.000021 3.503587 ESP Fit Center 4017 is at 1.115912 -0.302382 3.503587 ESP Fit Center 4018 is at 1.005240 -0.715415 3.503587 ESP Fit Center 4019 is at 1.115912 -1.128448 3.503587 ESP Fit Center 4020 is at 1.418273 -1.430809 3.503587 ESP Fit Center 4021 is at 1.831306 -1.541481 3.503587 ESP Fit Center 4022 is at 2.244339 -1.430809 3.503587 ESP Fit Center 4023 is at 2.546700 -1.128448 3.503587 ESP Fit Center 4024 is at 3.056422 -0.715415 3.384119 ESP Fit Center 4025 is at 2.982539 -0.296401 3.384119 ESP Fit Center 4026 is at 2.769799 0.072074 3.384119 ESP Fit Center 4027 is at 2.443864 0.345566 3.384119 ESP Fit Center 4028 is at 2.044045 0.491089 3.384119 ESP Fit Center 4029 is at 1.618567 0.491089 3.384119 ESP Fit Center 4030 is at 1.218748 0.345566 3.384119 ESP Fit Center 4031 is at 0.892813 0.072074 3.384119 ESP Fit Center 4032 is at 0.680073 -0.296401 3.384119 ESP Fit Center 4033 is at 0.606190 -0.715415 3.384119 ESP Fit Center 4034 is at 0.680073 -1.134430 3.384119 ESP Fit Center 4035 is at 0.892813 -1.502905 3.384119 ESP Fit Center 4036 is at 1.218748 -1.776397 3.384119 ESP Fit Center 4037 is at 1.618567 -1.921919 3.384119 ESP Fit Center 4038 is at 2.044045 -1.921919 3.384119 ESP Fit Center 4039 is at 2.443864 -1.776397 3.384119 ESP Fit Center 4040 is at 2.769799 -1.502905 3.384119 ESP Fit Center 4041 is at 2.982539 -1.134430 3.384119 ESP Fit Center 4042 is at 3.438905 -0.715415 3.219132 ESP Fit Center 4043 is at 3.384127 -0.299338 3.219132 ESP Fit Center 4044 is at 3.223527 0.088384 3.219132 ESP Fit Center 4045 is at 2.968050 0.421329 3.219132 ESP Fit Center 4046 is at 2.635105 0.676806 3.219132 ESP Fit Center 4047 is at 2.247383 0.837406 3.219132 ESP Fit Center 4048 is at 1.831306 0.892183 3.219132 ESP Fit Center 4049 is at 1.415229 0.837406 3.219132 ESP Fit Center 4050 is at 1.027507 0.676806 3.219132 ESP Fit Center 4051 is at 0.694562 0.421329 3.219132 ESP Fit Center 4052 is at 0.439085 0.088384 3.219132 ESP Fit Center 4053 is at 0.278485 -0.299338 3.219132 ESP Fit Center 4054 is at 0.223707 -0.715415 3.219132 ESP Fit Center 4055 is at 0.278485 -1.131492 3.219132 ESP Fit Center 4056 is at 0.439085 -1.519215 3.219132 ESP Fit Center 4057 is at 0.694562 -1.852159 3.219132 ESP Fit Center 4058 is at 1.027507 -2.107637 3.219132 ESP Fit Center 4059 is at 1.415229 -2.268236 3.219132 ESP Fit Center 4060 is at 1.831306 -2.323014 3.219132 ESP Fit Center 4061 is at 2.247383 -2.268236 3.219132 ESP Fit Center 4062 is at 2.635105 -2.107637 3.219132 ESP Fit Center 4063 is at 2.968050 -1.852159 3.219132 ESP Fit Center 4064 is at 3.223527 -1.519215 3.219132 ESP Fit Center 4065 is at 3.384127 -1.131492 3.219132 ESP Fit Center 4066 is at 3.799647 -0.715415 3.010858 ESP Fit Center 4067 is at 3.756634 -0.306174 3.010858 ESP Fit Center 4068 is at 3.629475 0.085181 3.010858 ESP Fit Center 4069 is at 3.423727 0.441547 3.010858 ESP Fit Center 4070 is at 3.148383 0.747347 3.010858 ESP Fit Center 4071 is at 2.815477 0.989218 3.010858 ESP Fit Center 4072 is at 2.439557 1.156588 3.010858 ESP Fit Center 4073 is at 0.238885 0.441547 3.010858 ESP Fit Center 4074 is at 0.033137 0.085181 3.010858 ESP Fit Center 4075 is at -0.094022 -0.306174 3.010858 ESP Fit Center 4076 is at -0.137035 -0.715415 3.010858 ESP Fit Center 4077 is at -0.094022 -1.124656 3.010858 ESP Fit Center 4078 is at 0.033137 -1.516012 3.010858 ESP Fit Center 4079 is at 0.238885 -1.872377 3.010858 ESP Fit Center 4080 is at 0.514229 -2.178178 3.010858 ESP Fit Center 4081 is at 0.847135 -2.420049 3.010858 ESP Fit Center 4082 is at 1.223055 -2.587419 3.010858 ESP Fit Center 4083 is at 1.625558 -2.672974 3.010858 ESP Fit Center 4084 is at 2.037054 -2.672974 3.010858 ESP Fit Center 4085 is at 2.439557 -2.587419 3.010858 ESP Fit Center 4086 is at 2.815477 -2.420049 3.010858 ESP Fit Center 4087 is at 3.148383 -2.178178 3.010858 ESP Fit Center 4088 is at 3.423727 -1.872377 3.010858 ESP Fit Center 4089 is at 3.629475 -1.516012 3.010858 ESP Fit Center 4090 is at 3.756634 -1.124656 3.010858 ESP Fit Center 4091 is at 4.133771 -0.715415 2.762111 ESP Fit Center 4092 is at 4.096770 -0.304294 2.762111 ESP Fit Center 4093 is at 3.986954 0.093613 2.762111 ESP Fit Center 4094 is at 3.807855 0.465518 2.762111 ESP Fit Center 4095 is at 3.565227 0.799466 2.762111 ESP Fit Center 4096 is at 3.266870 1.084725 2.762111 ESP Fit Center 4097 is at 2.922372 1.312125 2.762111 ESP Fit Center 4098 is at -0.243143 0.283587 2.762111 ESP Fit Center 4099 is at -0.388185 -0.102875 2.762111 ESP Fit Center 4100 is at -0.461890 -0.509024 2.762111 ESP Fit Center 4101 is at -0.461890 -0.921807 2.762111 ESP Fit Center 4102 is at -0.388185 -1.327956 2.762111 ESP Fit Center 4103 is at -0.243143 -1.714417 2.762111 ESP Fit Center 4104 is at -0.031427 -2.068770 2.762111 ESP Fit Center 4105 is at 0.240158 -2.379625 2.762111 ESP Fit Center 4106 is at 0.562885 -2.636991 2.762111 ESP Fit Center 4107 is at 0.926380 -2.832596 2.762111 ESP Fit Center 4108 is at 1.318959 -2.960153 2.762111 ESP Fit Center 4109 is at 1.728006 -3.015562 2.762111 ESP Fit Center 4110 is at 2.140373 -2.997043 2.762111 ESP Fit Center 4111 is at 2.542807 -2.905190 2.762111 ESP Fit Center 4112 is at 2.922372 -2.742956 2.762111 ESP Fit Center 4113 is at 3.266870 -2.515555 2.762111 ESP Fit Center 4114 is at 3.565227 -2.230296 2.762111 ESP Fit Center 4115 is at 3.807855 -1.896348 2.762111 ESP Fit Center 4116 is at 3.986954 -1.524444 2.762111 ESP Fit Center 4117 is at 4.096770 -1.126536 2.762111 ESP Fit Center 4118 is at 4.436758 -0.715415 2.476258 ESP Fit Center 4119 is at 4.404681 -0.307833 2.476258 ESP Fit Center 4120 is at 4.309238 0.089714 2.476258 ESP Fit Center 4121 is at 4.152781 0.467435 2.476258 ESP Fit Center 4122 is at 3.939161 0.816031 2.476258 ESP Fit Center 4123 is at 3.673639 1.126918 2.476258 ESP Fit Center 4124 is at 3.362753 1.392440 2.476258 ESP Fit Center 4125 is at -0.011027 -2.557748 2.476258 ESP Fit Center 4126 is at 0.299860 -2.823270 2.476258 ESP Fit Center 4127 is at 0.648455 -3.036890 2.476258 ESP Fit Center 4128 is at 1.026177 -3.193348 2.476258 ESP Fit Center 4129 is at 1.423723 -3.288790 2.476258 ESP Fit Center 4130 is at 1.831306 -3.320868 2.476258 ESP Fit Center 4131 is at 2.238889 -3.288790 2.476258 ESP Fit Center 4132 is at 2.636435 -3.193348 2.476258 ESP Fit Center 4133 is at 3.014157 -3.036890 2.476258 ESP Fit Center 4134 is at 3.362753 -2.823270 2.476258 ESP Fit Center 4135 is at 3.673639 -2.557748 2.476258 ESP Fit Center 4136 is at 3.939161 -2.246862 2.476258 ESP Fit Center 4137 is at 4.152781 -1.898266 2.476258 ESP Fit Center 4138 is at 4.309238 -1.520544 2.476258 ESP Fit Center 4139 is at 4.404681 -1.122998 2.476258 ESP Fit Center 4140 is at 4.704511 -0.715415 2.157162 ESP Fit Center 4141 is at 4.675266 -0.306515 2.157162 ESP Fit Center 4142 is at 4.588126 0.094060 2.157162 ESP Fit Center 4143 is at 4.444865 0.478157 2.157162 ESP Fit Center 4144 is at 4.248400 0.837957 2.157162 ESP Fit Center 4145 is at 4.002730 1.166134 2.157162 ESP Fit Center 4146 is at 3.712855 1.456008 2.157162 ESP Fit Center 4147 is at 3.384678 1.701679 2.157162 ESP Fit Center 4148 is at 0.277934 -3.132509 2.157162 ESP Fit Center 4149 is at 0.637733 -3.328975 2.157162 ESP Fit Center 4150 is at 1.021831 -3.472235 2.157162 ESP Fit Center 4151 is at 1.422406 -3.559375 2.157162 ESP Fit Center 4152 is at 1.831306 -3.588621 2.157162 ESP Fit Center 4153 is at 2.240206 -3.559375 2.157162 ESP Fit Center 4154 is at 2.640781 -3.472235 2.157162 ESP Fit Center 4155 is at 3.024879 -3.328975 2.157162 ESP Fit Center 4156 is at 3.384678 -3.132509 2.157162 ESP Fit Center 4157 is at 3.712855 -2.886839 2.157162 ESP Fit Center 4158 is at 4.002730 -2.596965 2.157162 ESP Fit Center 4159 is at 4.248400 -2.268787 2.157162 ESP Fit Center 4160 is at 4.444865 -1.908988 2.157162 ESP Fit Center 4161 is at 4.588126 -1.524891 2.157162 ESP Fit Center 4162 is at 4.675266 -1.124315 2.157162 ESP Fit Center 4163 is at 4.933409 -0.715415 1.809140 ESP Fit Center 4164 is at 4.905730 -0.301945 1.809140 ESP Fit Center 4165 is at 4.823189 0.104146 1.809140 ESP Fit Center 4166 is at 4.687257 0.495613 1.809140 ESP Fit Center 4167 is at 4.500360 0.865468 1.809140 ESP Fit Center 4168 is at 4.265835 1.207113 1.809140 ESP Fit Center 4169 is at 3.987865 1.514450 1.809140 ESP Fit Center 4170 is at 3.671411 1.781995 1.809140 ESP Fit Center 4171 is at 0.525523 -3.529305 1.809140 ESP Fit Center 4172 is at 0.912229 -3.678242 1.809140 ESP Fit Center 4173 is at 1.315335 -3.774307 1.809140 ESP Fit Center 4174 is at 1.727649 -3.815786 1.809140 ESP Fit Center 4175 is at 2.141813 -3.801939 1.809140 ESP Fit Center 4176 is at 2.550436 -3.733013 1.809140 ESP Fit Center 4177 is at 2.946226 -3.610238 1.809140 ESP Fit Center 4178 is at 3.322120 -3.435804 1.809140 ESP Fit Center 4179 is at 3.671411 -3.212825 1.809140 ESP Fit Center 4180 is at 3.987865 -2.945280 1.809140 ESP Fit Center 4181 is at 4.265835 -2.637943 1.809140 ESP Fit Center 4182 is at 4.500360 -2.296299 1.809140 ESP Fit Center 4183 is at 4.687257 -1.926443 1.809140 ESP Fit Center 4184 is at 4.823189 -1.534977 1.809140 ESP Fit Center 4185 is at 4.905730 -1.128885 1.809140 ESP Fit Center 4186 is at 5.120356 -0.715415 1.436898 ESP Fit Center 4187 is at 5.094421 -0.303188 1.436898 ESP Fit Center 4188 is at 5.017025 0.102538 1.436898 ESP Fit Center 4189 is at 4.889387 0.495365 1.436898 ESP Fit Center 4190 is at 4.713523 0.869097 1.436898 ESP Fit Center 4191 is at 4.492203 1.217840 1.436898 ESP Fit Center 4192 is at 4.228920 1.536094 1.436898 ESP Fit Center 4193 is at 3.927825 1.818841 1.436898 ESP Fit Center 4194 is at 3.593667 2.061622 1.436898 ESP Fit Center 4195 is at 0.814934 -3.843488 1.436898 ESP Fit Center 4196 is at 1.214999 -3.946207 1.436898 ESP Fit Center 4197 is at 1.624785 -3.997975 1.436898 ESP Fit Center 4198 is at 2.037827 -3.997975 1.436898 ESP Fit Center 4199 is at 2.447613 -3.946207 1.436898 ESP Fit Center 4200 is at 2.847678 -3.843488 1.436898 ESP Fit Center 4201 is at 3.231715 -3.691437 1.436898 ESP Fit Center 4202 is at 3.593667 -3.492452 1.436898 ESP Fit Center 4203 is at 3.927825 -3.249672 1.436898 ESP Fit Center 4204 is at 4.228920 -2.966925 1.436898 ESP Fit Center 4205 is at 4.492203 -2.648670 1.436898 ESP Fit Center 4206 is at 4.713523 -2.299927 1.436898 ESP Fit Center 4207 is at 4.889387 -1.926195 1.436898 ESP Fit Center 4208 is at 5.017025 -1.533369 1.436898 ESP Fit Center 4209 is at 5.094421 -1.127643 1.436898 ESP Fit Center 4210 is at 5.262824 -0.715415 1.045469 ESP Fit Center 4211 is at 5.237805 -0.301791 1.045469 ESP Fit Center 4212 is at 5.163111 0.105801 1.045469 ESP Fit Center 4213 is at 5.039831 0.501418 1.045469 ESP Fit Center 4214 is at 4.869765 0.879291 1.045469 ESP Fit Center 4215 is at 4.655390 1.233909 1.045469 ESP Fit Center 4216 is at 4.399834 1.560102 1.045469 ESP Fit Center 4217 is at 4.106824 1.853113 1.045469 ESP Fit Center 4218 is at 3.780631 2.108669 1.045469 ESP Fit Center 4219 is at 1.010090 -4.047220 1.045469 ESP Fit Center 4220 is at 1.417682 -4.121914 1.045469 ESP Fit Center 4221 is at 1.831306 -4.146934 1.045469 ESP Fit Center 4222 is at 2.244930 -4.121914 1.045469 ESP Fit Center 4223 is at 2.652522 -4.047220 1.045469 ESP Fit Center 4224 is at 3.048139 -3.923941 1.045469 ESP Fit Center 4225 is at 3.426012 -3.753874 1.045469 ESP Fit Center 4226 is at 3.780631 -3.539500 1.045469 ESP Fit Center 4227 is at 4.106824 -3.283944 1.045469 ESP Fit Center 4228 is at 4.399834 -2.990933 1.045469 ESP Fit Center 4229 is at 4.655390 -2.664740 1.045469 ESP Fit Center 4230 is at 4.869765 -2.310121 1.045469 ESP Fit Center 4231 is at 5.039831 -1.932248 1.045469 ESP Fit Center 4232 is at 5.163111 -1.536631 1.045469 ESP Fit Center 4233 is at 5.237805 -1.129039 1.045469 ESP Fit Center 4234 is at 5.358887 -0.715415 0.640148 ESP Fit Center 4235 is at 5.335035 -0.305888 0.640148 ESP Fit Center 4236 is at 5.263801 0.098101 0.640148 ESP Fit Center 4237 is at 5.146148 0.491089 0.640148 ESP Fit Center 4238 is at 4.983668 0.867760 0.640148 ESP Fit Center 4239 is at 4.778557 1.223022 0.640148 ESP Fit Center 4240 is at 4.533590 1.552070 0.640148 ESP Fit Center 4241 is at 4.252079 1.850454 0.640148 ESP Fit Center 4242 is at 3.937832 2.114140 0.640148 ESP Fit Center 4243 is at 3.595097 2.339560 0.640148 ESP Fit Center 4244 is at 0.819584 -4.094801 0.640148 ESP Fit Center 4245 is at 1.218748 -4.189405 0.640148 ESP Fit Center 4246 is at 1.626195 -4.237028 0.640148 ESP Fit Center 4247 is at 2.036417 -4.237028 0.640148 ESP Fit Center 4248 is at 2.443864 -4.189405 0.640148 ESP Fit Center 4249 is at 2.843028 -4.094801 0.640148 ESP Fit Center 4250 is at 3.228510 -3.954497 0.640148 ESP Fit Center 4251 is at 3.595097 -3.770390 0.640148 ESP Fit Center 4252 is at 3.937832 -3.544970 0.640148 ESP Fit Center 4253 is at 4.252079 -3.281285 0.640148 ESP Fit Center 4254 is at 4.533590 -2.982901 0.640148 ESP Fit Center 4255 is at 4.778557 -2.653853 0.640148 ESP Fit Center 4256 is at 4.983668 -2.298591 0.640148 ESP Fit Center 4257 is at 5.146148 -1.921919 0.640148 ESP Fit Center 4258 is at 5.263801 -1.528931 0.640148 ESP Fit Center 4259 is at 5.335035 -1.124942 0.640148 ESP Fit Center 4260 is at 5.407246 -0.715415 0.226415 ESP Fit Center 4261 is at 5.383067 -0.300274 0.226415 ESP Fit Center 4262 is at 5.310856 0.109253 0.226415 ESP Fit Center 4263 is at 5.191590 0.507628 0.226415 ESP Fit Center 4264 is at 5.026883 0.889464 0.226415 ESP Fit Center 4265 is at 4.818960 1.249596 0.226415 ESP Fit Center 4266 is at 4.570635 1.583155 0.226415 ESP Fit Center 4267 is at 4.285265 1.885629 0.226415 ESP Fit Center 4268 is at 3.966709 2.152929 0.226415 ESP Fit Center 4269 is at 0.805715 -4.141128 0.226415 ESP Fit Center 4270 is at 1.210351 -4.237028 0.226415 ESP Fit Center 4271 is at 1.623384 -4.285305 0.226415 ESP Fit Center 4272 is at 2.039228 -4.285305 0.226415 ESP Fit Center 4273 is at 2.452261 -4.237028 0.226415 ESP Fit Center 4274 is at 2.856897 -4.141128 0.226415 ESP Fit Center 4275 is at 3.247663 -3.998901 0.226415 ESP Fit Center 4276 is at 3.619276 -3.812270 0.226415 ESP Fit Center 4277 is at 3.966709 -3.583759 0.226415 ESP Fit Center 4278 is at 4.285265 -3.316460 0.226415 ESP Fit Center 4279 is at 4.570635 -3.013985 0.226415 ESP Fit Center 4280 is at 4.818960 -2.680426 0.226415 ESP Fit Center 4281 is at 5.026883 -2.320294 0.226415 ESP Fit Center 4282 is at 5.191590 -1.938459 0.226415 ESP Fit Center 4283 is at 5.310856 -1.540084 0.226415 ESP Fit Center 4284 is at 5.383067 -1.130556 0.226415 ESP Fit Center 4285 is at 5.407246 -0.715415 -0.190135 ESP Fit Center 4286 is at 5.383067 -0.300274 -0.190135 ESP Fit Center 4287 is at 5.310856 0.109253 -0.190135 ESP Fit Center 4288 is at 5.191590 0.507628 -0.190135 ESP Fit Center 4289 is at 5.026883 0.889464 -0.190135 ESP Fit Center 4290 is at 4.818960 1.249596 -0.190135 ESP Fit Center 4291 is at 4.570635 1.583155 -0.190135 ESP Fit Center 4292 is at 4.285265 1.885629 -0.190135 ESP Fit Center 4293 is at 3.966709 2.152929 -0.190135 ESP Fit Center 4294 is at 0.805715 -4.141128 -0.190135 ESP Fit Center 4295 is at 1.210351 -4.237028 -0.190135 ESP Fit Center 4296 is at 1.623384 -4.285305 -0.190135 ESP Fit Center 4297 is at 2.039228 -4.285305 -0.190135 ESP Fit Center 4298 is at 2.452261 -4.237028 -0.190135 ESP Fit Center 4299 is at 2.856897 -4.141128 -0.190135 ESP Fit Center 4300 is at 3.247663 -3.998901 -0.190135 ESP Fit Center 4301 is at 3.619276 -3.812270 -0.190135 ESP Fit Center 4302 is at 3.966709 -3.583759 -0.190135 ESP Fit Center 4303 is at 4.285265 -3.316460 -0.190135 ESP Fit Center 4304 is at 4.570635 -3.013985 -0.190135 ESP Fit Center 4305 is at 4.818960 -2.680426 -0.190135 ESP Fit Center 4306 is at 5.026883 -2.320294 -0.190135 ESP Fit Center 4307 is at 5.191590 -1.938459 -0.190135 ESP Fit Center 4308 is at 5.310856 -1.540084 -0.190135 ESP Fit Center 4309 is at 5.383067 -1.130556 -0.190135 ESP Fit Center 4310 is at 5.358887 -0.715415 -0.603868 ESP Fit Center 4311 is at 5.335035 -0.305888 -0.603868 ESP Fit Center 4312 is at 5.263801 0.098101 -0.603868 ESP Fit Center 4313 is at 5.146148 0.491089 -0.603868 ESP Fit Center 4314 is at 4.983668 0.867760 -0.603868 ESP Fit Center 4315 is at 4.778557 1.223022 -0.603868 ESP Fit Center 4316 is at 4.533590 1.552070 -0.603868 ESP Fit Center 4317 is at 4.252079 1.850454 -0.603868 ESP Fit Center 4318 is at 0.819584 -4.094801 -0.603868 ESP Fit Center 4319 is at 1.218748 -4.189405 -0.603868 ESP Fit Center 4320 is at 1.626195 -4.237028 -0.603868 ESP Fit Center 4321 is at 2.036417 -4.237028 -0.603868 ESP Fit Center 4322 is at 2.443864 -4.189405 -0.603868 ESP Fit Center 4323 is at 2.843028 -4.094801 -0.603868 ESP Fit Center 4324 is at 3.228510 -3.954497 -0.603868 ESP Fit Center 4325 is at 3.595097 -3.770390 -0.603868 ESP Fit Center 4326 is at 3.937832 -3.544970 -0.603868 ESP Fit Center 4327 is at 4.252079 -3.281285 -0.603868 ESP Fit Center 4328 is at 4.533590 -2.982901 -0.603868 ESP Fit Center 4329 is at 4.778557 -2.653853 -0.603868 ESP Fit Center 4330 is at 4.983668 -2.298591 -0.603868 ESP Fit Center 4331 is at 5.146148 -1.921919 -0.603868 ESP Fit Center 4332 is at 5.263801 -1.528931 -0.603868 ESP Fit Center 4333 is at 5.335035 -1.124942 -0.603868 ESP Fit Center 4334 is at 5.262824 -0.715415 -1.009189 ESP Fit Center 4335 is at 5.237805 -0.301791 -1.009189 ESP Fit Center 4336 is at 5.163111 0.105801 -1.009189 ESP Fit Center 4337 is at 5.039831 0.501418 -1.009189 ESP Fit Center 4338 is at 4.869765 0.879291 -1.009189 ESP Fit Center 4339 is at 4.655390 1.233909 -1.009189 ESP Fit Center 4340 is at 4.399834 1.560102 -1.009189 ESP Fit Center 4341 is at 4.106824 1.853113 -1.009189 ESP Fit Center 4342 is at 0.614473 -3.923941 -1.009189 ESP Fit Center 4343 is at 1.010090 -4.047220 -1.009189 ESP Fit Center 4344 is at 1.417682 -4.121914 -1.009189 ESP Fit Center 4345 is at 1.831306 -4.146934 -1.009189 ESP Fit Center 4346 is at 2.244930 -4.121914 -1.009189 ESP Fit Center 4347 is at 2.652522 -4.047220 -1.009189 ESP Fit Center 4348 is at 3.048139 -3.923941 -1.009189 ESP Fit Center 4349 is at 3.426012 -3.753874 -1.009189 ESP Fit Center 4350 is at 3.780631 -3.539500 -1.009189 ESP Fit Center 4351 is at 4.106824 -3.283944 -1.009189 ESP Fit Center 4352 is at 4.399834 -2.990933 -1.009189 ESP Fit Center 4353 is at 4.655390 -2.664740 -1.009189 ESP Fit Center 4354 is at 4.869765 -2.310121 -1.009189 ESP Fit Center 4355 is at 5.039831 -1.932248 -1.009189 ESP Fit Center 4356 is at 5.163111 -1.536631 -1.009189 ESP Fit Center 4357 is at 5.237805 -1.129039 -1.009189 ESP Fit Center 4358 is at 5.120356 -0.715415 -1.400618 ESP Fit Center 4359 is at 5.094421 -0.303188 -1.400618 ESP Fit Center 4360 is at 5.017025 0.102538 -1.400618 ESP Fit Center 4361 is at 4.889387 0.495365 -1.400618 ESP Fit Center 4362 is at 4.713523 0.869097 -1.400618 ESP Fit Center 4363 is at 4.492203 1.217840 -1.400618 ESP Fit Center 4364 is at 4.228920 1.536094 -1.400618 ESP Fit Center 4365 is at 0.430897 -3.691437 -1.400618 ESP Fit Center 4366 is at 0.814934 -3.843488 -1.400618 ESP Fit Center 4367 is at 1.214999 -3.946207 -1.400618 ESP Fit Center 4368 is at 1.624785 -3.997975 -1.400618 ESP Fit Center 4369 is at 2.037827 -3.997975 -1.400618 ESP Fit Center 4370 is at 2.447613 -3.946207 -1.400618 ESP Fit Center 4371 is at 2.847678 -3.843488 -1.400618 ESP Fit Center 4372 is at 3.231715 -3.691437 -1.400618 ESP Fit Center 4373 is at 3.593667 -3.492452 -1.400618 ESP Fit Center 4374 is at 3.927825 -3.249672 -1.400618 ESP Fit Center 4375 is at 4.228920 -2.966925 -1.400618 ESP Fit Center 4376 is at 4.492203 -2.648670 -1.400618 ESP Fit Center 4377 is at 4.713523 -2.299927 -1.400618 ESP Fit Center 4378 is at 4.889387 -1.926195 -1.400618 ESP Fit Center 4379 is at 5.017025 -1.533369 -1.400618 ESP Fit Center 4380 is at 5.094421 -1.127643 -1.400618 ESP Fit Center 4381 is at 4.933409 -0.715415 -1.772860 ESP Fit Center 4382 is at 4.905730 -0.301945 -1.772860 ESP Fit Center 4383 is at 4.823189 0.104146 -1.772860 ESP Fit Center 4384 is at 4.687257 0.495613 -1.772860 ESP Fit Center 4385 is at 4.500360 0.865468 -1.772860 ESP Fit Center 4386 is at 4.265835 1.207113 -1.772860 ESP Fit Center 4387 is at 3.987865 1.514450 -1.772860 ESP Fit Center 4388 is at 0.162119 -3.330154 -1.772860 ESP Fit Center 4389 is at 0.525523 -3.529305 -1.772860 ESP Fit Center 4390 is at 0.912229 -3.678242 -1.772860 ESP Fit Center 4391 is at 1.315335 -3.774307 -1.772860 ESP Fit Center 4392 is at 1.727649 -3.815786 -1.772860 ESP Fit Center 4393 is at 2.141813 -3.801939 -1.772860 ESP Fit Center 4394 is at 2.550436 -3.733013 -1.772860 ESP Fit Center 4395 is at 2.946226 -3.610238 -1.772860 ESP Fit Center 4396 is at 3.322120 -3.435804 -1.772860 ESP Fit Center 4397 is at 3.671411 -3.212825 -1.772860 ESP Fit Center 4398 is at 3.987865 -2.945280 -1.772860 ESP Fit Center 4399 is at 4.265835 -2.637943 -1.772860 ESP Fit Center 4400 is at 4.500360 -2.296299 -1.772860 ESP Fit Center 4401 is at 4.687257 -1.926443 -1.772860 ESP Fit Center 4402 is at 4.823189 -1.534977 -1.772860 ESP Fit Center 4403 is at 4.905730 -1.128885 -1.772860 ESP Fit Center 4404 is at 4.704511 -0.715415 -2.120882 ESP Fit Center 4405 is at 4.675266 -0.306515 -2.120882 ESP Fit Center 4406 is at 4.588126 0.094060 -2.120882 ESP Fit Center 4407 is at 4.444865 0.478157 -2.120882 ESP Fit Center 4408 is at 4.248400 0.837957 -2.120882 ESP Fit Center 4409 is at 4.002730 1.166134 -2.120882 ESP Fit Center 4410 is at 3.712855 1.456008 -2.120882 ESP Fit Center 4411 is at -0.050243 -2.886839 -2.120882 ESP Fit Center 4412 is at 0.277934 -3.132509 -2.120882 ESP Fit Center 4413 is at 0.637733 -3.328975 -2.120882 ESP Fit Center 4414 is at 1.021831 -3.472235 -2.120882 ESP Fit Center 4415 is at 1.422406 -3.559375 -2.120882 ESP Fit Center 4416 is at 1.831306 -3.588621 -2.120882 ESP Fit Center 4417 is at 2.240206 -3.559375 -2.120882 ESP Fit Center 4418 is at 2.640781 -3.472235 -2.120882 ESP Fit Center 4419 is at 3.024879 -3.328975 -2.120882 ESP Fit Center 4420 is at 3.384678 -3.132509 -2.120882 ESP Fit Center 4421 is at 3.712855 -2.886839 -2.120882 ESP Fit Center 4422 is at 4.002730 -2.596965 -2.120882 ESP Fit Center 4423 is at 4.248400 -2.268787 -2.120882 ESP Fit Center 4424 is at 4.444865 -1.908988 -2.120882 ESP Fit Center 4425 is at 4.588126 -1.524891 -2.120882 ESP Fit Center 4426 is at 4.675266 -1.124315 -2.120882 ESP Fit Center 4427 is at 4.436758 -0.715415 -2.439977 ESP Fit Center 4428 is at 4.404681 -0.307833 -2.439977 ESP Fit Center 4429 is at 4.309238 0.089714 -2.439977 ESP Fit Center 4430 is at 4.152781 0.467435 -2.439977 ESP Fit Center 4431 is at 3.939161 0.816031 -2.439977 ESP Fit Center 4432 is at 3.673639 1.126918 -2.439977 ESP Fit Center 4433 is at 3.362753 1.392440 -2.439977 ESP Fit Center 4434 is at -0.276549 -2.246862 -2.439977 ESP Fit Center 4435 is at -0.011027 -2.557748 -2.439977 ESP Fit Center 4436 is at 0.299860 -2.823270 -2.439977 ESP Fit Center 4437 is at 0.648455 -3.036890 -2.439977 ESP Fit Center 4438 is at 1.026177 -3.193348 -2.439977 ESP Fit Center 4439 is at 1.423723 -3.288790 -2.439977 ESP Fit Center 4440 is at 1.831306 -3.320868 -2.439977 ESP Fit Center 4441 is at 2.238889 -3.288790 -2.439977 ESP Fit Center 4442 is at 2.636435 -3.193348 -2.439977 ESP Fit Center 4443 is at 3.014157 -3.036890 -2.439977 ESP Fit Center 4444 is at 3.362753 -2.823270 -2.439977 ESP Fit Center 4445 is at 3.673639 -2.557748 -2.439977 ESP Fit Center 4446 is at 3.939161 -2.246862 -2.439977 ESP Fit Center 4447 is at 4.152781 -1.898266 -2.439977 ESP Fit Center 4448 is at 4.309238 -1.520544 -2.439977 ESP Fit Center 4449 is at 4.404681 -1.122998 -2.439977 ESP Fit Center 4450 is at 4.133771 -0.715415 -2.725831 ESP Fit Center 4451 is at 4.096770 -0.304294 -2.725831 ESP Fit Center 4452 is at 3.986954 0.093613 -2.725831 ESP Fit Center 4453 is at 3.807855 0.465518 -2.725831 ESP Fit Center 4454 is at 3.565227 0.799466 -2.725831 ESP Fit Center 4455 is at 3.266870 1.084725 -2.725831 ESP Fit Center 4456 is at -0.031427 0.637940 -2.725831 ESP Fit Center 4457 is at -0.388185 -0.102875 -2.725831 ESP Fit Center 4458 is at -0.461890 -0.509024 -2.725831 ESP Fit Center 4459 is at -0.461890 -0.921807 -2.725831 ESP Fit Center 4460 is at -0.388185 -1.327956 -2.725831 ESP Fit Center 4461 is at -0.243143 -1.714417 -2.725831 ESP Fit Center 4462 is at -0.031427 -2.068770 -2.725831 ESP Fit Center 4463 is at 0.240158 -2.379625 -2.725831 ESP Fit Center 4464 is at 0.562885 -2.636991 -2.725831 ESP Fit Center 4465 is at 0.926380 -2.832596 -2.725831 ESP Fit Center 4466 is at 1.318959 -2.960153 -2.725831 ESP Fit Center 4467 is at 1.728006 -3.015562 -2.725831 ESP Fit Center 4468 is at 2.140373 -2.997043 -2.725831 ESP Fit Center 4469 is at 2.542807 -2.905190 -2.725831 ESP Fit Center 4470 is at 2.922372 -2.742956 -2.725831 ESP Fit Center 4471 is at 3.266870 -2.515555 -2.725831 ESP Fit Center 4472 is at 3.565227 -2.230296 -2.725831 ESP Fit Center 4473 is at 3.807855 -1.896348 -2.725831 ESP Fit Center 4474 is at 3.986954 -1.524444 -2.725831 ESP Fit Center 4475 is at 4.096770 -1.126536 -2.725831 ESP Fit Center 4476 is at 3.799647 -0.715415 -2.974577 ESP Fit Center 4477 is at 3.756634 -0.306174 -2.974577 ESP Fit Center 4478 is at 3.629475 0.085181 -2.974577 ESP Fit Center 4479 is at 3.423727 0.441547 -2.974577 ESP Fit Center 4480 is at 3.148383 0.747347 -2.974577 ESP Fit Center 4481 is at 2.815477 0.989218 -2.974577 ESP Fit Center 4482 is at 0.238885 0.441547 -2.974577 ESP Fit Center 4483 is at 0.033137 0.085181 -2.974577 ESP Fit Center 4484 is at -0.094022 -0.306174 -2.974577 ESP Fit Center 4485 is at -0.137035 -0.715415 -2.974577 ESP Fit Center 4486 is at -0.094022 -1.124656 -2.974577 ESP Fit Center 4487 is at 0.033137 -1.516012 -2.974577 ESP Fit Center 4488 is at 0.238885 -1.872377 -2.974577 ESP Fit Center 4489 is at 0.514229 -2.178178 -2.974577 ESP Fit Center 4490 is at 0.847135 -2.420049 -2.974577 ESP Fit Center 4491 is at 1.223055 -2.587419 -2.974577 ESP Fit Center 4492 is at 1.625558 -2.672974 -2.974577 ESP Fit Center 4493 is at 2.037054 -2.672974 -2.974577 ESP Fit Center 4494 is at 2.439557 -2.587419 -2.974577 ESP Fit Center 4495 is at 2.815477 -2.420049 -2.974577 ESP Fit Center 4496 is at 3.148383 -2.178178 -2.974577 ESP Fit Center 4497 is at 3.423727 -1.872377 -2.974577 ESP Fit Center 4498 is at 3.629475 -1.516012 -2.974577 ESP Fit Center 4499 is at 3.756634 -1.124656 -2.974577 ESP Fit Center 4500 is at 3.438905 -0.715415 -3.182852 ESP Fit Center 4501 is at 3.384127 -0.299338 -3.182852 ESP Fit Center 4502 is at 3.223527 0.088384 -3.182852 ESP Fit Center 4503 is at 2.968050 0.421329 -3.182852 ESP Fit Center 4504 is at 2.635105 0.676806 -3.182852 ESP Fit Center 4505 is at 2.247383 0.837406 -3.182852 ESP Fit Center 4506 is at 1.831306 0.892183 -3.182852 ESP Fit Center 4507 is at 1.027507 0.676806 -3.182852 ESP Fit Center 4508 is at 0.694562 0.421329 -3.182852 ESP Fit Center 4509 is at 0.439085 0.088384 -3.182852 ESP Fit Center 4510 is at 0.278485 -0.299338 -3.182852 ESP Fit Center 4511 is at 0.223707 -0.715415 -3.182852 ESP Fit Center 4512 is at 0.278485 -1.131492 -3.182852 ESP Fit Center 4513 is at 0.439085 -1.519215 -3.182852 ESP Fit Center 4514 is at 0.694562 -1.852159 -3.182852 ESP Fit Center 4515 is at 1.027507 -2.107637 -3.182852 ESP Fit Center 4516 is at 1.415229 -2.268236 -3.182852 ESP Fit Center 4517 is at 1.831306 -2.323014 -3.182852 ESP Fit Center 4518 is at 2.247383 -2.268236 -3.182852 ESP Fit Center 4519 is at 2.635105 -2.107637 -3.182852 ESP Fit Center 4520 is at 2.968050 -1.852159 -3.182852 ESP Fit Center 4521 is at 3.223527 -1.519215 -3.182852 ESP Fit Center 4522 is at 3.384127 -1.131492 -3.182852 ESP Fit Center 4523 is at 3.056422 -0.715415 -3.347839 ESP Fit Center 4524 is at 2.982539 -0.296401 -3.347839 ESP Fit Center 4525 is at 2.769799 0.072074 -3.347839 ESP Fit Center 4526 is at 2.443864 0.345566 -3.347839 ESP Fit Center 4527 is at 2.044045 0.491089 -3.347839 ESP Fit Center 4528 is at 1.618567 0.491089 -3.347839 ESP Fit Center 4529 is at 1.218748 0.345566 -3.347839 ESP Fit Center 4530 is at 0.892813 0.072074 -3.347839 ESP Fit Center 4531 is at 0.680073 -0.296401 -3.347839 ESP Fit Center 4532 is at 0.606190 -0.715415 -3.347839 ESP Fit Center 4533 is at 0.680073 -1.134430 -3.347839 ESP Fit Center 4534 is at 0.892813 -1.502905 -3.347839 ESP Fit Center 4535 is at 1.218748 -1.776397 -3.347839 ESP Fit Center 4536 is at 1.618567 -1.921919 -3.347839 ESP Fit Center 4537 is at 2.044045 -1.921919 -3.347839 ESP Fit Center 4538 is at 2.443864 -1.776397 -3.347839 ESP Fit Center 4539 is at 2.769799 -1.502905 -3.347839 ESP Fit Center 4540 is at 2.982539 -1.134430 -3.347839 ESP Fit Center 4541 is at 2.657372 -0.715415 -3.467307 ESP Fit Center 4542 is at 2.546700 -0.302382 -3.467307 ESP Fit Center 4543 is at 2.244339 -0.000021 -3.467307 ESP Fit Center 4544 is at 1.831306 0.110651 -3.467307 ESP Fit Center 4545 is at 1.418273 -0.000021 -3.467307 ESP Fit Center 4546 is at 1.115912 -0.302382 -3.467307 ESP Fit Center 4547 is at 1.005240 -0.715415 -3.467307 ESP Fit Center 4548 is at 1.115912 -1.128448 -3.467307 ESP Fit Center 4549 is at 1.418273 -1.430809 -3.467307 ESP Fit Center 4550 is at 1.831306 -1.541481 -3.467307 ESP Fit Center 4551 is at 2.244339 -1.430809 -3.467307 ESP Fit Center 4552 is at 2.546700 -1.128448 -3.467307 ESP Fit Center 4553 is at 2.247151 -0.715415 -3.539640 ESP Fit Center 4554 is at 2.039228 -0.355283 -3.539640 ESP Fit Center 4555 is at 1.623384 -0.355283 -3.539640 ESP Fit Center 4556 is at 1.415461 -0.715415 -3.539640 ESP Fit Center 4557 is at 1.623384 -1.075547 -3.539640 ESP Fit Center 4558 is at 2.039228 -1.075547 -3.539640 ESP Fit Center 4559 is at 1.831306 -0.715415 -3.563860 ESP Fit Center 4560 is at -0.672189 -3.350837 2.174128 ESP Fit Center 4561 is at -0.258891 -3.240094 2.174128 ESP Fit Center 4562 is at -1.272205 -3.563498 1.974523 ESP Fit Center 4563 is at -0.880573 -3.706041 1.974523 ESP Fit Center 4564 is at -0.463806 -3.706041 1.974523 ESP Fit Center 4565 is at -0.072173 -3.563498 1.974523 ESP Fit Center 4566 is at 0.247088 -3.295606 1.974523 ESP Fit Center 4567 is at -1.552982 -3.772040 1.705899 ESP Fit Center 4568 is at -1.183668 -3.963403 1.705899 ESP Fit Center 4569 is at -0.776419 -4.048031 1.705899 ESP Fit Center 4570 is at -0.361441 -4.019645 1.705899 ESP Fit Center 4571 is at 0.030491 -3.880353 1.705899 ESP Fit Center 4572 is at 0.370309 -3.640483 1.705899 ESP Fit Center 4573 is at -1.570176 -4.079600 1.378580 ESP Fit Center 4574 is at -1.187280 -4.244765 1.378580 ESP Fit Center 4575 is at -0.776616 -4.317176 1.378580 ESP Fit Center 4576 is at -0.360322 -4.292930 1.378580 ESP Fit Center 4577 is at 0.039160 -4.173333 1.378580 ESP Fit Center 4578 is at 0.400292 -3.964833 1.378580 ESP Fit Center 4579 is at -1.669979 -4.252463 1.005145 ESP Fit Center 4580 is at -1.288857 -4.422150 1.005145 ESP Fit Center 4581 is at -0.880784 -4.508888 1.005145 ESP Fit Center 4582 is at -0.463594 -4.508888 1.005145 ESP Fit Center 4583 is at -0.055521 -4.422150 1.005145 ESP Fit Center 4584 is at 0.325601 -4.252463 1.005145 ESP Fit Center 4585 is at 0.663114 -4.007245 1.005145 ESP Fit Center 4586 is at -1.482903 -4.481476 0.599944 ESP Fit Center 4587 is at -1.085487 -4.602030 0.599944 ESP Fit Center 4588 is at -0.672189 -4.642737 0.599944 ESP Fit Center 4589 is at -0.258891 -4.602030 0.599944 ESP Fit Center 4590 is at 0.138524 -4.481476 0.599944 ESP Fit Center 4591 is at 0.504784 -4.285706 0.599944 ESP Fit Center 4592 is at -1.752189 -4.394855 0.178549 ESP Fit Center 4593 is at -1.378656 -4.565442 0.178549 ESP Fit Center 4594 is at -0.979589 -4.662255 0.178549 ESP Fit Center 4595 is at -0.569412 -4.681794 0.178549 ESP Fit Center 4596 is at -0.162950 -4.623353 0.178549 ESP Fit Center 4597 is at 0.225107 -4.489046 0.178549 ESP Fit Center 4598 is at 0.580734 -4.283725 0.178549 ESP Fit Center 4599 is at -1.482903 -4.481476 -0.242846 ESP Fit Center 4600 is at -1.085487 -4.602030 -0.242846 ESP Fit Center 4601 is at -0.672189 -4.642737 -0.242846 ESP Fit Center 4602 is at -0.258891 -4.602030 -0.242846 ESP Fit Center 4603 is at 0.138524 -4.481476 -0.242846 ESP Fit Center 4604 is at 0.504784 -4.285706 -0.242846 ESP Fit Center 4605 is at -1.669979 -4.252463 -0.648048 ESP Fit Center 4606 is at -1.288857 -4.422150 -0.648048 ESP Fit Center 4607 is at -0.880784 -4.508888 -0.648048 ESP Fit Center 4608 is at -0.463594 -4.508888 -0.648048 ESP Fit Center 4609 is at -0.055521 -4.422150 -0.648048 ESP Fit Center 4610 is at 0.325601 -4.252463 -0.648048 ESP Fit Center 4611 is at -1.570176 -4.079600 -1.021483 ESP Fit Center 4612 is at -1.187280 -4.244765 -1.021483 ESP Fit Center 4613 is at -0.776616 -4.317176 -1.021483 ESP Fit Center 4614 is at -0.360322 -4.292930 -1.021483 ESP Fit Center 4615 is at 0.039160 -4.173333 -1.021483 ESP Fit Center 4616 is at 0.400292 -3.964833 -1.021483 ESP Fit Center 4617 is at -1.183668 -3.963403 -1.348802 ESP Fit Center 4618 is at -0.776419 -4.048031 -1.348802 ESP Fit Center 4619 is at -0.361441 -4.019645 -1.348802 ESP Fit Center 4620 is at 0.030491 -3.880353 -1.348802 ESP Fit Center 4621 is at -0.880573 -3.706041 -1.617426 ESP Fit Center 4622 is at -0.463806 -3.706041 -1.617426 ESP Fit Center 4623 is at -0.072173 -3.563498 -1.617426 ESP Fit Center 4624 is at 1.318247 2.238131 3.639265 ESP Fit Center 4625 is at 1.739642 2.238131 3.597761 ESP Fit Center 4626 is at 1.528944 2.603070 3.597761 ESP Fit Center 4627 is at 1.107549 1.873193 3.597761 ESP Fit Center 4628 is at 1.528944 1.873193 3.597761 ESP Fit Center 4629 is at 2.144843 2.238131 3.474845 ESP Fit Center 4630 is at 2.034100 2.651430 3.474845 ESP Fit Center 4631 is at 1.731545 2.953985 3.474845 ESP Fit Center 4632 is at 1.318247 1.411535 3.474845 ESP Fit Center 4633 is at 1.731545 1.522278 3.474845 ESP Fit Center 4634 is at 2.034100 1.824833 3.474845 ESP Fit Center 4635 is at 2.518279 2.238131 3.275239 ESP Fit Center 4636 is at 2.445908 2.648567 3.275239 ESP Fit Center 4637 is at 2.237524 3.009497 3.275239 ESP Fit Center 4638 is at 1.918263 3.277389 3.275239 ESP Fit Center 4639 is at 1.109864 1.056331 3.275239 ESP Fit Center 4640 is at 1.526630 1.056331 3.275239 ESP Fit Center 4641 is at 1.918263 1.198874 3.275239 ESP Fit Center 4642 is at 2.237524 1.466766 3.275239 ESP Fit Center 4643 is at 2.445908 1.827696 3.275239 ESP Fit Center 4644 is at 2.845597 2.238131 3.006616 ESP Fit Center 4645 is at 2.788959 2.650206 3.006616 ESP Fit Center 4646 is at 2.623245 3.031718 3.006616 ESP Fit Center 4647 is at 2.360745 3.354374 3.006616 ESP Fit Center 4648 is at 2.623245 1.444545 3.006616 ESP Fit Center 4649 is at 2.788959 1.826057 3.006616 ESP Fit Center 4650 is at 3.114221 2.238131 2.679297 ESP Fit Center 4651 is at 3.065810 2.652312 2.679297 ESP Fit Center 4652 is at 2.923188 3.044163 2.679297 ESP Fit Center 4653 is at 2.694043 3.392562 2.679297 ESP Fit Center 4654 is at 2.390728 3.678724 2.679297 ESP Fit Center 4655 is at 2.923188 1.432100 2.679297 ESP Fit Center 4656 is at 3.065810 1.823951 2.679297 ESP Fit Center 4657 is at 3.313827 2.238131 2.305861 ESP Fit Center 4658 is at 3.270218 2.653036 2.305861 ESP Fit Center 4659 is at 3.141300 3.049807 2.305861 ESP Fit Center 4660 is at 2.932705 3.411104 2.305861 ESP Fit Center 4661 is at 2.653550 3.721136 2.305861 ESP Fit Center 4662 is at 3.270218 1.823227 2.305861 ESP Fit Center 4663 is at 3.436743 2.238131 1.900660 ESP Fit Center 4664 is at 3.396037 2.651430 1.900660 ESP Fit Center 4665 is at 3.275482 3.048845 1.900660 ESP Fit Center 4666 is at 3.079712 3.415105 1.900660 ESP Fit Center 4667 is at 2.816250 3.736135 1.900660 ESP Fit Center 4668 is at 3.478247 2.238131 1.479265 ESP Fit Center 4669 is at 3.439213 2.646914 1.479265 ESP Fit Center 4670 is at 3.323522 3.040922 1.479265 ESP Fit Center 4671 is at 3.135354 3.405916 1.479265 ESP Fit Center 4672 is at 2.881512 3.728702 1.479265 ESP Fit Center 4673 is at 3.396037 2.651430 1.057870 ESP Fit Center 4674 is at 3.275482 3.048845 1.057870 ESP Fit Center 4675 is at 3.079712 3.415105 1.057870 ESP Fit Center 4676 is at 3.418390 2.801524 0.596037 ESP Fit Center 4677 is at 3.252676 3.183037 0.596037 ESP Fit Center 4678 is at 2.990176 3.505693 0.596037 ESP Fit Center 4679 is at 3.743652 2.389450 0.268718 ESP Fit Center 4680 is at 3.695242 2.803630 0.268718 ESP Fit Center 4681 is at 3.552619 3.195482 0.268718 ESP Fit Center 4682 is at 3.323474 3.543880 0.268718 ESP Fit Center 4683 is at 3.020159 3.830043 0.268718 ESP Fit Center 4684 is at 2.659027 4.038543 0.268718 ESP Fit Center 4685 is at 3.943258 2.389450 -0.104717 ESP Fit Center 4686 is at 3.899650 2.804355 -0.104717 ESP Fit Center 4687 is at 3.770731 3.201126 -0.104717 ESP Fit Center 4688 is at 3.562136 3.562423 -0.104717 ESP Fit Center 4689 is at 3.282981 3.872455 -0.104717 ESP Fit Center 4690 is at 2.945468 4.117673 -0.104717 ESP Fit Center 4691 is at 2.564346 4.287359 -0.104717 ESP Fit Center 4692 is at 4.066174 2.389450 -0.509918 ESP Fit Center 4693 is at 4.025468 2.802748 -0.509918 ESP Fit Center 4694 is at 3.904913 3.200164 -0.509918 ESP Fit Center 4695 is at 3.709143 3.566424 -0.509918 ESP Fit Center 4696 is at 3.445681 3.887453 -0.509918 ESP Fit Center 4697 is at 3.124651 4.150915 -0.509918 ESP Fit Center 4698 is at 2.758391 4.346685 -0.509918 ESP Fit Center 4699 is at 2.360976 4.467240 -0.509918 ESP Fit Center 4700 is at 1.947678 4.507946 -0.509918 ESP Fit Center 4701 is at 4.107678 2.389450 -0.931313 ESP Fit Center 4702 is at 4.068644 2.798233 -0.931313 ESP Fit Center 4703 is at 3.952953 3.192241 -0.931313 ESP Fit Center 4704 is at 3.764786 3.557234 -0.931313 ESP Fit Center 4705 is at 3.510943 3.880021 -0.931313 ESP Fit Center 4706 is at 3.200601 4.148934 -0.931313 ESP Fit Center 4707 is at 2.844974 4.354255 -0.931313 ESP Fit Center 4708 is at 2.456917 4.488563 -0.931313 ESP Fit Center 4709 is at 2.050455 4.547004 -0.931313 ESP Fit Center 4710 is at 1.640278 4.527465 -0.931313 ESP Fit Center 4711 is at 1.241211 4.430652 -0.931313 ESP Fit Center 4712 is at 4.068644 1.980668 -0.931313 ESP Fit Center 4713 is at 4.066174 2.389450 -1.352709 ESP Fit Center 4714 is at 4.025468 2.802748 -1.352709 ESP Fit Center 4715 is at 3.904913 3.200164 -1.352709 ESP Fit Center 4716 is at 3.709143 3.566424 -1.352709 ESP Fit Center 4717 is at 3.445681 3.887453 -1.352709 ESP Fit Center 4718 is at 3.124651 4.150915 -1.352709 ESP Fit Center 4719 is at 2.758391 4.346685 -1.352709 ESP Fit Center 4720 is at 2.360976 4.467240 -1.352709 ESP Fit Center 4721 is at 1.947678 4.507946 -1.352709 ESP Fit Center 4722 is at 1.534380 4.467240 -1.352709 ESP Fit Center 4723 is at 1.136965 4.346685 -1.352709 ESP Fit Center 4724 is at 4.025468 1.976152 -1.352709 ESP Fit Center 4725 is at 3.943258 2.389450 -1.757910 ESP Fit Center 4726 is at 3.899650 2.804355 -1.757910 ESP Fit Center 4727 is at 3.770731 3.201126 -1.757910 ESP Fit Center 4728 is at 3.562136 3.562423 -1.757910 ESP Fit Center 4729 is at 3.282981 3.872455 -1.757910 ESP Fit Center 4730 is at 2.945468 4.117673 -1.757910 ESP Fit Center 4731 is at 2.564346 4.287359 -1.757910 ESP Fit Center 4732 is at 2.156273 4.374098 -1.757910 ESP Fit Center 4733 is at 1.739083 4.374098 -1.757910 ESP Fit Center 4734 is at 1.331010 4.287359 -1.757910 ESP Fit Center 4735 is at 3.899650 1.974546 -1.757910 ESP Fit Center 4736 is at 3.743652 2.389450 -2.131345 ESP Fit Center 4737 is at 3.695242 2.803630 -2.131345 ESP Fit Center 4738 is at 3.552619 3.195482 -2.131345 ESP Fit Center 4739 is at 3.323474 3.543880 -2.131345 ESP Fit Center 4740 is at 3.020159 3.830043 -2.131345 ESP Fit Center 4741 is at 2.659027 4.038543 -2.131345 ESP Fit Center 4742 is at 2.259546 4.158140 -2.131345 ESP Fit Center 4743 is at 1.843251 4.182386 -2.131345 ESP Fit Center 4744 is at 1.432587 4.109975 -2.131345 ESP Fit Center 4745 is at 1.049691 3.944810 -2.131345 ESP Fit Center 4746 is at 3.552619 1.583418 -2.131345 ESP Fit Center 4747 is at 3.695242 1.975270 -2.131345 ESP Fit Center 4748 is at 3.475029 2.389450 -2.458664 ESP Fit Center 4749 is at 3.418390 2.801524 -2.458664 ESP Fit Center 4750 is at 3.252676 3.183037 -2.458664 ESP Fit Center 4751 is at 2.990176 3.505693 -2.458664 ESP Fit Center 4752 is at 2.650359 3.745562 -2.458664 ESP Fit Center 4753 is at 2.258427 3.884855 -2.458664 ESP Fit Center 4754 is at 1.843448 3.913240 -2.458664 ESP Fit Center 4755 is at 1.436199 3.828613 -2.458664 ESP Fit Center 4756 is at 1.066885 3.637250 -2.458664 ESP Fit Center 4757 is at 3.252676 1.595863 -2.458664 ESP Fit Center 4758 is at 3.418390 1.977376 -2.458664 ESP Fit Center 4759 is at 3.147710 2.389450 -2.727288 ESP Fit Center 4760 is at 3.075339 2.799885 -2.727288 ESP Fit Center 4761 is at 2.866956 3.160816 -2.727288 ESP Fit Center 4762 is at 2.547694 3.428708 -2.727288 ESP Fit Center 4763 is at 2.156061 3.571251 -2.727288 ESP Fit Center 4764 is at 1.739295 3.571251 -2.727288 ESP Fit Center 4765 is at 1.347662 3.428708 -2.727288 ESP Fit Center 4766 is at 1.028400 3.160816 -2.727288 ESP Fit Center 4767 is at 3.075339 1.979015 -2.727288 ESP Fit Center 4768 is at 2.774274 2.389450 -2.926893 ESP Fit Center 4769 is at 2.663531 2.802748 -2.926893 ESP Fit Center 4770 is at 2.360976 3.105304 -2.926893 ESP Fit Center 4771 is at 1.947678 3.216046 -2.926893 ESP Fit Center 4772 is at 1.534380 3.105304 -2.926893 ESP Fit Center 4773 is at 2.663531 1.976152 -2.926893 ESP Fit Center 4774 is at 2.369073 2.389450 -3.049810 ESP Fit Center 4775 is at 2.158375 2.754389 -3.049810 ESP Fit Center 4776 is at 1.736980 2.754389 -3.049810 ESP Fit Center 4777 is at 1.947678 2.389450 -3.091313 ESP Fit Center 4778 is at -0.611256 1.561042 -3.130371 ESP Fit Center 4779 is at -0.314999 1.264784 -3.130371 ESP Fit Center 4780 is at -0.114553 1.611965 -3.213677 ESP Fit Center 4781 is at 0.791524 2.642158 4.064827 ESP Fit Center 4782 is at 0.587274 2.995929 4.064827 ESP Fit Center 4783 is at 0.587274 2.288386 4.064827 ESP Fit Center 4784 is at 1.192414 2.642158 3.981521 ESP Fit Center 4785 is at 1.083977 3.046853 3.981521 ESP Fit Center 4786 is at 0.787719 3.343110 3.981521 ESP Fit Center 4787 is at 0.383024 3.451548 3.981521 ESP Fit Center 4788 is at 0.787719 1.941205 3.981521 ESP Fit Center 4789 is at 1.083977 2.237462 3.981521 ESP Fit Center 4790 is at 1.578227 2.642158 3.844403 ESP Fit Center 4791 is at 1.506148 3.050941 3.844403 ESP Fit Center 4792 is at 1.298603 3.410419 3.844403 ESP Fit Center 4793 is at 0.980626 3.677234 3.844403 ESP Fit Center 4794 is at 0.590569 3.819203 3.844403 ESP Fit Center 4795 is at 0.175479 3.819203 3.844403 ESP Fit Center 4796 is at 0.590569 1.465112 3.844403 ESP Fit Center 4797 is at 0.980626 1.607081 3.844403 ESP Fit Center 4798 is at 1.714852 3.452060 3.656027 ESP Fit Center 4799 is at 1.446955 3.781349 3.656027 ESP Fit Center 4800 is at 1.100151 4.026150 3.656027 ESP Fit Center 4801 is at 0.700162 4.168307 3.656027 ESP Fit Center 4802 is at 0.276651 4.197276 3.656027 ESP Fit Center 4803 is at -0.138970 4.110908 3.656027 ESP Fit Center 4804 is at 0.700162 1.116008 3.656027 ESP Fit Center 4805 is at 2.101304 3.437118 3.419903 ESP Fit Center 4806 is at 1.890238 3.787912 3.419903 ESP Fit Center 4807 is at 1.608697 4.085131 3.419903 ESP Fit Center 4808 is at 1.269845 4.314879 3.419903 ESP Fit Center 4809 is at 0.889526 4.466412 3.419903 ESP Fit Center 4810 is at 0.485523 4.532645 3.419903 ESP Fit Center 4811 is at 0.076728 4.510480 3.419903 ESP Fit Center 4812 is at -0.317745 4.400956 3.419903 ESP Fit Center 4813 is at 2.227479 3.827517 3.140428 ESP Fit Center 4814 is at 1.969817 4.155161 3.140428 ESP Fit Center 4815 is at 1.654803 4.428122 3.140428 ESP Fit Center 4816 is at 1.293825 4.636533 3.140428 ESP Fit Center 4817 is at 0.899927 4.772862 3.140428 ESP Fit Center 4818 is at 0.487348 4.832182 3.140428 ESP Fit Center 4819 is at 0.070998 4.812349 3.140428 ESP Fit Center 4820 is at -0.334075 4.714079 3.140428 ESP Fit Center 4821 is at -0.713230 4.540925 3.140428 ESP Fit Center 4822 is at 2.522703 3.837454 2.822810 ESP Fit Center 4823 is at 2.289919 4.181868 2.822810 ESP Fit Center 4824 is at 2.002278 4.481988 2.822810 ESP Fit Center 4825 is at -0.720385 4.830638 2.822810 ESP Fit Center 4826 is at -1.074368 4.612682 2.822810 ESP Fit Center 4827 is at 2.537967 4.207815 2.472964 ESP Fit Center 4828 is at 2.266513 4.525646 2.472964 ESP Fit Center 4829 is at -1.182633 4.797100 2.472964 ESP Fit Center 4830 is at -1.500465 4.525646 2.472964 ESP Fit Center 4831 is at 2.740555 4.201885 2.097408 ESP Fit Center 4832 is at 2.488333 4.528523 2.097408 ESP Fit Center 4833 is at -1.261765 4.941151 2.097408 ESP Fit Center 4834 is at -1.578973 4.677168 2.097408 ESP Fit Center 4835 is at -1.854365 4.369813 2.097408 ESP Fit Center 4836 is at 2.873955 4.198664 1.703137 ESP Fit Center 4837 is at -1.729858 4.682544 1.703137 ESP Fit Center 4838 is at -1.993263 4.368631 1.703137 ESP Fit Center 4839 is at 3.117271 3.859523 1.297496 ESP Fit Center 4840 is at 2.921237 4.228209 1.297496 ESP Fit Center 4841 is at -1.769964 4.721274 1.297496 ESP Fit Center 4842 is at -2.038369 4.401402 1.297496 ESP Fit Center 4843 is at 3.117271 3.859523 0.888042 ESP Fit Center 4844 is at 2.921237 4.228209 0.888042 ESP Fit Center 4845 is at -1.769964 4.721274 0.888042 ESP Fit Center 4846 is at 2.873955 4.198664 0.482401 ESP Fit Center 4847 is at -1.729858 4.682544 0.482401 ESP Fit Center 4848 is at -1.578973 4.677168 0.088130 ESP Fit Center 4849 is at 2.907180 1.552121 -3.103685 ESP Fit Center 4850 is at 0.921649 3.075672 -3.103685 ESP Fit Center 4851 is at 2.544758 1.552121 -3.312929 ESP Fit Center 4852 is at 2.471492 1.967633 -3.312929 ESP Fit Center 4853 is at 2.260531 2.333028 -3.312929 ESP Fit Center 4854 is at 1.540844 2.748539 -3.312929 ESP Fit Center 4855 is at 1.118923 2.748539 -3.312929 ESP Fit Center 4856 is at 0.722446 2.604233 -3.312929 ESP Fit Center 4857 is at 0.399236 2.333028 -3.312929 ESP Fit Center 4858 is at 0.188275 1.967633 -3.312929 ESP Fit Center 4859 is at 0.115009 1.552121 -3.312929 ESP Fit Center 4860 is at 0.188275 1.136610 -3.312929 ESP Fit Center 4861 is at 2.155198 1.552121 -3.465820 ESP Fit Center 4862 is at 2.044627 1.964779 -3.465820 ESP Fit Center 4863 is at 1.742541 2.266865 -3.465820 ESP Fit Center 4864 is at 1.329884 2.377436 -3.465820 ESP Fit Center 4865 is at 0.917226 2.266865 -3.465820 ESP Fit Center 4866 is at 0.615140 1.964779 -3.465820 ESP Fit Center 4867 is at 0.504569 1.552121 -3.465820 ESP Fit Center 4868 is at 0.615140 1.139464 -3.465820 ESP Fit Center 4869 is at 1.747202 1.552121 -3.558942 ESP Fit Center 4870 is at 1.538543 1.913530 -3.558942 ESP Fit Center 4871 is at 1.121224 1.913530 -3.558942 ESP Fit Center 4872 is at 0.912565 1.552121 -3.558942 ESP Fit Center 4873 is at 1.121224 1.190713 -3.558942 ESP Fit Center 4874 is at 1.538543 1.190713 -3.558942 ESP Fit Center 4875 is at 1.329884 1.552121 -3.590216 ESP Fit Center 4876 is at -3.278924 -2.386600 2.954038 ESP Fit Center 4877 is at -2.861605 -2.386600 2.922764 ESP Fit Center 4878 is at -3.487583 -2.025192 2.922764 ESP Fit Center 4879 is at -3.696242 -2.386600 2.922764 ESP Fit Center 4880 is at -3.487583 -2.748008 2.922764 ESP Fit Center 4881 is at -3.070264 -2.748008 2.922764 ESP Fit Center 4882 is at -3.691581 -1.671857 2.829642 ESP Fit Center 4883 is at -3.993667 -1.973943 2.829642 ESP Fit Center 4884 is at -4.104238 -2.386600 2.829642 ESP Fit Center 4885 is at -3.993667 -2.799257 2.829642 ESP Fit Center 4886 is at -3.691581 -3.101343 2.829642 ESP Fit Center 4887 is at -3.278924 -3.211915 2.829642 ESP Fit Center 4888 is at -2.866266 -3.101343 2.829642 ESP Fit Center 4889 is at -2.564180 -2.799257 2.829642 ESP Fit Center 4890 is at -4.209571 -1.605694 2.676751 ESP Fit Center 4891 is at -4.420532 -1.971089 2.676751 ESP Fit Center 4892 is at -4.493798 -2.386600 2.676751 ESP Fit Center 4893 is at -4.420532 -2.802112 2.676751 ESP Fit Center 4894 is at -4.209571 -3.167506 2.676751 ESP Fit Center 4895 is at -3.886361 -3.438712 2.676751 ESP Fit Center 4896 is at -3.489884 -3.583018 2.676751 ESP Fit Center 4897 is at -3.067963 -3.583018 2.676751 ESP Fit Center 4898 is at -2.671486 -3.438712 2.676751 ESP Fit Center 4899 is at -2.348276 -3.167506 2.676751 ESP Fit Center 4900 is at -4.394240 -1.271283 2.467506 ESP Fit Center 4901 is at -4.644902 -1.597952 2.467506 ESP Fit Center 4902 is at -4.802475 -1.978366 2.467506 ESP Fit Center 4903 is at -4.856220 -2.386600 2.467506 ESP Fit Center 4904 is at -4.802475 -2.794834 2.467506 ESP Fit Center 4905 is at -4.644902 -3.175248 2.467506 ESP Fit Center 4906 is at -4.394240 -3.501917 2.467506 ESP Fit Center 4907 is at -4.067572 -3.752579 2.467506 ESP Fit Center 4908 is at -3.687158 -3.910151 2.467506 ESP Fit Center 4909 is at -3.278924 -3.963896 2.467506 ESP Fit Center 4910 is at -2.870689 -3.910151 2.467506 ESP Fit Center 4911 is at -2.490276 -3.752579 2.467506 ESP Fit Center 4912 is at -2.163607 -3.501917 2.467506 ESP Fit Center 4913 is at -1.912945 -3.175248 2.467506 ESP Fit Center 4914 is at -4.910794 -1.404736 2.206583 ESP Fit Center 4915 is at -5.083714 -1.778496 2.206583 ESP Fit Center 4916 is at -5.172243 -2.180689 2.206583 ESP Fit Center 4917 is at -5.172243 -2.592511 2.206583 ESP Fit Center 4918 is at -5.083714 -2.994705 2.206583 ESP Fit Center 4919 is at -4.910794 -3.368464 2.206583 ESP Fit Center 4920 is at -4.661570 -3.696313 2.206583 ESP Fit 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Center 5101 is at -3.175817 -4.288291 -1.898507 ESP Fit Center 5102 is at -2.769420 -4.221665 -1.898507 ESP Fit Center 5103 is at -2.386847 -4.069234 -1.898507 ESP Fit Center 5104 is at -2.045987 -3.838125 -1.898507 ESP Fit Center 5105 is at -4.644902 -1.597952 -2.159431 ESP Fit Center 5106 is at -4.802475 -1.978366 -2.159431 ESP Fit Center 5107 is at -4.856220 -2.386600 -2.159431 ESP Fit Center 5108 is at -4.802475 -2.794834 -2.159431 ESP Fit Center 5109 is at -4.644902 -3.175248 -2.159431 ESP Fit Center 5110 is at -4.394240 -3.501917 -2.159431 ESP Fit Center 5111 is at -4.067572 -3.752579 -2.159431 ESP Fit Center 5112 is at -3.687158 -3.910151 -2.159431 ESP Fit Center 5113 is at -3.278924 -3.963896 -2.159431 ESP Fit Center 5114 is at -2.870689 -3.910151 -2.159431 ESP Fit Center 5115 is at -2.490276 -3.752579 -2.159431 ESP Fit Center 5116 is at -2.163607 -3.501917 -2.159431 ESP Fit Center 5117 is at -4.420532 -1.971089 -2.368675 ESP Fit Center 5118 is at -4.493798 -2.386600 -2.368675 ESP Fit Center 5119 is at -4.420532 -2.802112 -2.368675 ESP Fit Center 5120 is at -4.209571 -3.167506 -2.368675 ESP Fit Center 5121 is at -3.886361 -3.438712 -2.368675 ESP Fit Center 5122 is at -3.489884 -3.583018 -2.368675 ESP Fit Center 5123 is at -3.067963 -3.583018 -2.368675 ESP Fit Center 5124 is at -2.671486 -3.438712 -2.368675 ESP Fit Center 5125 is at -3.993667 -1.973943 -2.521566 ESP Fit Center 5126 is at -4.104238 -2.386600 -2.521566 ESP Fit Center 5127 is at -3.993667 -2.799257 -2.521566 ESP Fit Center 5128 is at -3.691581 -3.101343 -2.521566 ESP Fit Center 5129 is at -3.278924 -3.211915 -2.521566 ESP Fit Center 5130 is at -2.866266 -3.101343 -2.521566 ESP Fit Center 5131 is at -3.696242 -2.386600 -2.614688 ESP Fit Center 5132 is at -3.487583 -2.748008 -2.614688 ESP Fit Center 5133 is at -3.070264 -2.748008 -2.614688 ESP Fit Center 5134 is at -2.479338 -1.448970 3.066154 ESP Fit Center 5135 is at -2.070838 -1.448970 3.038212 ESP Fit Center 5136 is at -2.275088 -1.095199 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ESP Fit Center 5337 is at -2.536315 4.516796 1.136930 ESP Fit Center 5338 is at -2.947231 4.499340 1.136930 ESP Fit Center 5339 is at -3.349287 4.412691 1.136930 ESP Fit Center 5340 is at -3.730915 4.259340 1.136930 ESP Fit Center 5341 is at -4.081138 4.043699 1.136930 ESP Fit Center 5342 is at -4.389880 3.771972 1.136930 ESP Fit Center 5343 is at -4.648258 3.451976 1.136930 ESP Fit Center 5344 is at -4.848841 3.092917 1.136930 ESP Fit Center 5345 is at -4.985857 2.705124 1.136930 ESP Fit Center 5346 is at -5.055365 2.299753 1.136930 ESP Fit Center 5347 is at -5.055365 1.888466 1.136930 ESP Fit Center 5348 is at -2.231491 4.668466 0.759885 ESP Fit Center 5349 is at -2.639229 4.700556 0.759885 ESP Fit Center 5350 is at -3.046967 4.668466 0.759885 ESP Fit Center 5351 is at -3.444666 4.572987 0.759885 ESP Fit Center 5352 is at -3.822531 4.416470 0.759885 ESP Fit Center 5353 is at -4.171260 4.202769 0.759885 ESP Fit Center 5354 is at -4.482265 3.937145 0.759885 ESP Fit Center 5355 is at 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ESP Fit Center 5374 is at -1.619135 4.693268 -0.053825 ESP Fit Center 5375 is at -2.017913 4.816275 -0.053825 ESP Fit Center 5376 is at -2.430570 4.878473 -0.053825 ESP Fit Center 5377 is at -2.847888 4.878473 -0.053825 ESP Fit Center 5378 is at -3.260546 4.816275 -0.053825 ESP Fit Center 5379 is at -3.659324 4.693268 -0.053825 ESP Fit Center 5380 is at -4.035315 4.512200 -0.053825 ESP Fit Center 5381 is at -4.380119 4.277116 -0.053825 ESP Fit Center 5382 is at -4.686035 3.993268 -0.053825 ESP Fit Center 5383 is at -4.946229 3.666995 -0.053825 ESP Fit Center 5384 is at -5.154888 3.305587 -0.053825 ESP Fit Center 5385 is at -5.307352 2.917116 -0.053825 ESP Fit Center 5386 is at -5.400214 2.510261 -0.053825 ESP Fit Center 5387 is at -5.431400 2.094109 -0.053825 ESP Fit Center 5388 is at -1.619135 4.693268 -0.472314 ESP Fit Center 5389 is at -2.017913 4.816275 -0.472314 ESP Fit Center 5390 is at -2.430570 4.878473 -0.472314 ESP Fit Center 5391 is at -2.847888 4.878473 -0.472314 ESP Fit Center 5392 is at -3.260546 4.816275 -0.472314 ESP Fit Center 5393 is at -3.659324 4.693268 -0.472314 ESP Fit Center 5394 is at -4.035315 4.512200 -0.472314 ESP Fit Center 5395 is at -4.380119 4.277116 -0.472314 ESP Fit Center 5396 is at -4.686035 3.993268 -0.472314 ESP Fit Center 5397 is at -4.946229 3.666995 -0.472314 ESP Fit Center 5398 is at -5.154888 3.305587 -0.472314 ESP Fit Center 5399 is at -5.307352 2.917116 -0.472314 ESP Fit Center 5400 is at -5.400214 2.510261 -0.472314 ESP Fit Center 5401 is at -5.431400 2.094109 -0.472314 ESP Fit Center 5402 is at -1.716511 4.663232 -0.886128 ESP Fit Center 5403 is at -2.119500 4.773975 -0.886128 ESP Fit Center 5404 is at -2.534671 4.821904 -0.886128 ESP Fit Center 5405 is at -2.952292 4.805897 -0.886128 ESP Fit Center 5406 is at -3.362575 4.726327 -0.886128 ESP Fit Center 5407 is at -3.755904 4.585060 -0.886128 ESP Fit Center 5408 is at -4.123059 4.385408 -0.886128 ESP Fit Center 5409 is at -4.455434 4.132049 -0.886128 ESP Fit Center 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4.162837 -2.008841 ESP Fit Center 5447 is at -3.733793 3.989950 -2.008841 ESP Fit Center 5448 is at -4.072803 3.748542 -2.008841 ESP Fit Center 5449 is at -4.360000 3.447339 -2.008841 ESP Fit Center 5450 is at -4.585004 3.097226 -2.008841 ESP Fit Center 5451 is at -4.739682 2.710858 -2.008841 ESP Fit Center 5452 is at -4.818445 2.302199 -2.008841 ESP Fit Center 5453 is at -4.818445 1.886020 -2.008841 ESP Fit Center 5454 is at -4.739682 1.477361 -2.008841 ESP Fit Center 5455 is at -2.129726 3.929175 -2.315615 ESP Fit Center 5456 is at -2.536123 3.995800 -2.315615 ESP Fit Center 5457 is at -2.947340 3.973504 -2.315615 ESP Fit Center 5458 is at -3.344151 3.863330 -2.315615 ESP Fit Center 5459 is at -3.708001 3.670430 -2.315615 ESP Fit Center 5460 is at -4.021876 3.403822 -2.315615 ESP Fit Center 5461 is at -4.271100 3.075973 -2.315615 ESP Fit Center 5462 is at -4.444019 2.702214 -2.315615 ESP Fit Center 5463 is at -4.532549 2.300020 -2.315615 ESP Fit Center 5464 is at -4.532549 1.888199 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ESP Fit Center 5483 is at -3.780838 1.678598 -2.785782 ESP Fit Center 5484 is at -3.569877 1.313203 -2.785782 ESP Fit Center 5485 is at -1.813915 2.094109 -2.938673 ESP Fit Center 5486 is at -1.924486 2.506767 -2.938673 ESP Fit Center 5487 is at -2.226572 2.808853 -2.938673 ESP Fit Center 5488 is at -2.639229 2.919424 -2.938673 ESP Fit Center 5489 is at -3.051887 2.808853 -2.938673 ESP Fit Center 5490 is at -3.353973 2.506767 -2.938673 ESP Fit Center 5491 is at -3.464544 2.094109 -2.938673 ESP Fit Center 5492 is at -3.353973 1.681452 -2.938673 ESP Fit Center 5493 is at -2.221911 2.094109 -3.031796 ESP Fit Center 5494 is at -2.430570 2.455518 -3.031796 ESP Fit Center 5495 is at -2.847888 2.455518 -3.031796 ESP Fit Center 5496 is at -3.056548 2.094109 -3.031796 ESP Fit Center 5497 is at -2.847888 1.732701 -3.031796 ESP Fit Center 5498 is at -2.639229 2.094109 -3.063070 ESP Fit Center 5499 is at -1.495769 0.366137 2.753395 ESP Fit Center 5500 is at -1.392418 -0.264245 -2.886991 ESP Fit Center 5501 is at -1.199512 1.471784 -3.024109 ESP Fit Center 5502 is at -1.495769 0.366137 -3.024109 ESP Fit Center 5503 is at -1.199512 0.069879 -3.024109 ESP Fit Center 5504 is at -0.794817 -0.038559 -3.024109 ESP Fit Center 5505 is at -0.386317 0.770832 -3.107415 ESP Fit Center 5506 is at -0.590567 1.124603 -3.107415 ESP Fit Center 5507 is at -0.999067 1.124603 -3.107415 ESP Fit Center 5508 is at -1.203316 0.770832 -3.107415 ESP Fit Center 5509 is at -0.999067 0.417060 -3.107415 ESP Fit Center 5510 is at -0.590567 0.417060 -3.107415 ESP Fit Center 5511 is at -0.794817 0.770832 -3.135357 ESP Fit Center 5512 is at -0.956621 -0.081138 2.875926 ESP Fit Center 5513 is at -1.378793 -0.077049 2.738808 ESP Fit Center 5514 is at -1.065059 -0.485833 -2.901578 ESP Fit Center 5515 is at -0.956621 -0.890528 -2.901578 ESP Fit Center 5516 is at -1.038413 -1.565403 3.087596 ESP Fit Center 5517 is at -0.629913 -1.565403 3.059654 ESP Fit Center 5518 is at -0.834163 -1.211632 3.059654 ESP Fit Center 5519 is at -1.242663 -1.211632 3.059654 ESP Fit Center 5520 is at -1.446913 -1.565403 3.059654 ESP Fit Center 5521 is at -1.242663 -1.919175 3.059654 ESP Fit Center 5522 is at -0.834163 -1.919175 3.059654 ESP Fit Center 5523 is at -1.038413 -0.756013 2.976348 ESP Fit Center 5524 is at -1.443108 -0.864451 2.976348 ESP Fit Center 5525 is at -1.739366 -1.160708 2.976348 ESP Fit Center 5526 is at -1.739366 -1.970099 2.976348 ESP Fit Center 5527 is at -1.443108 -2.266356 2.976348 ESP Fit Center 5528 is at -1.038413 -2.374794 2.976348 ESP Fit Center 5529 is at -0.633718 -2.266356 2.976348 ESP Fit Center 5530 is at -1.245958 -0.388358 2.839230 ESP Fit Center 5531 is at -1.636015 -0.530327 2.839230 ESP Fit Center 5532 is at -1.636015 -2.600480 2.839230 ESP Fit Center 5533 is at -1.245958 -2.742449 2.839230 ESP Fit Center 5534 is at -0.830868 -2.742449 2.839230 ESP Fit Center 5535 is at -0.440812 -2.600480 2.839230 ESP Fit Center 5536 is at -1.560408 -3.034154 2.650854 ESP Fit Center 5537 is at -1.144786 -3.120521 2.650854 ESP Fit Center 5538 is at -0.721276 -3.091553 2.650854 ESP Fit Center 5539 is at -0.321286 -2.949396 2.650854 ESP Fit Center 5540 is at -1.739182 -3.324201 2.414730 ESP Fit Center 5541 is at -1.344709 -3.433726 2.414730 ESP Fit Center 5542 is at -0.935914 -3.455891 2.414730 ESP Fit Center 5543 is at -0.531912 -3.389658 2.414730 ESP Fit Center 5544 is at -0.151593 -3.238125 2.414730 ESP Fit Center 5545 is at -1.756095 -3.908882 -1.642445 ESP Fit Center 5546 is at -1.349722 -3.996462 -1.642445 ESP Fit Center 5547 is at -1.755512 -3.637325 -1.960063 ESP Fit Center 5548 is at -1.350440 -3.735595 -1.960063 ESP Fit Center 5549 is at -0.934090 -3.755428 -1.960063 ESP Fit Center 5550 is at -0.521510 -3.696108 -1.960063 ESP Fit Center 5551 is at -0.127613 -3.559779 -1.960063 ESP Fit Center 5552 is at -1.739182 -3.324201 -2.239538 ESP Fit Center 5553 is at -1.344709 -3.433726 -2.239538 ESP Fit Center 5554 is at -0.935914 -3.455891 -2.239538 ESP Fit Center 5555 is at 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5573 is at -1.038413 -1.565403 -2.912404 ESP Fit Center 5574 is at -0.890372 4.963902 -0.531413 ESP Fit Center 5575 is at -1.293365 4.832962 -0.531413 ESP Fit Center 5576 is at -0.364435 5.059623 -0.948168 ESP Fit Center 5577 is at -0.781191 5.023161 -0.948168 ESP Fit Center 5578 is at -1.185284 4.914885 -0.948168 ESP Fit Center 5579 is at -1.564435 4.738084 -0.948168 ESP Fit Center 5580 is at 0.755572 4.740944 -1.364924 ESP Fit Center 5581 is at 0.365938 4.907481 -1.364924 ESP Fit Center 5582 is at -0.047170 5.001771 -1.364924 ESP Fit Center 5583 is at -0.470475 5.020781 -1.364924 ESP Fit Center 5584 is at -0.890372 4.963902 -1.364924 ESP Fit Center 5585 is at -1.293365 4.832962 -1.364924 ESP Fit Center 5586 is at -1.666502 4.632169 -1.364924 ESP Fit Center 5587 is at 0.943745 4.496705 -1.769017 ESP Fit Center 5588 is at 0.572434 4.711081 -1.769017 ESP Fit Center 5589 is at 0.167263 4.851313 -1.769017 ESP Fit Center 5590 is at -0.257126 4.912331 -1.769017 ESP Fit Center 5591 is at -0.685393 4.891930 -1.769017 ESP Fit Center 5592 is at -1.102059 4.790847 -1.769017 ESP Fit Center 5593 is at -1.492066 4.612737 -1.769017 ESP Fit Center 5594 is at -1.841318 4.364036 -1.769017 ESP Fit Center 5595 is at 0.734996 4.423497 -2.148168 ESP Fit Center 5596 is at 0.357425 4.608704 -2.148168 ESP Fit Center 5597 is at -0.049699 4.714116 -2.148168 ESP Fit Center 5598 is at -0.469708 4.735416 -2.148168 ESP Fit Center 5599 is at -0.885407 4.671733 -2.148168 ESP Fit Center 5600 is at -1.279777 4.525674 -2.148168 ESP Fit Center 5601 is at -1.636674 4.303219 -2.148168 ESP Fit Center 5602 is at 0.733445 4.134332 -2.490859 ESP Fit Center 5603 is at 0.363760 4.347769 -2.490859 ESP Fit Center 5604 is at -0.045182 4.470198 -2.490859 ESP Fit Center 5605 is at -0.471335 4.495019 -2.490859 ESP Fit Center 5606 is at -0.891725 4.420893 -2.490859 ESP Fit Center 5607 is at -1.283689 4.251816 -2.490859 ESP Fit Center 5608 is at -1.626095 3.996904 -2.490859 ESP Fit Center 5609 is at -1.900485 3.669899 -2.490859 ESP Fit Center 5610 is at 0.688533 3.787076 -2.786675 ESP Fit Center 5611 is at 0.345303 4.029355 -2.786675 ESP Fit Center 5612 is at -0.050566 4.170046 -2.786675 ESP Fit Center 5613 is at -0.469712 4.198717 -2.786675 ESP Fit Center 5614 is at -0.881051 4.113239 -2.786675 ESP Fit Center 5615 is at -1.254074 3.919954 -2.786675 ESP Fit Center 5616 is at -1.561118 3.633196 -2.786675 ESP Fit Center 5617 is at -1.779408 3.274232 -2.786675 ESP Fit Center 5618 is at 0.554818 3.430968 -3.026629 ESP Fit Center 5619 is at 0.235565 3.698853 -3.026629 ESP Fit Center 5620 is at -0.156058 3.841392 -3.026629 ESP Fit Center 5621 is at -0.572813 3.841392 -3.026629 ESP Fit Center 5622 is at -0.964435 3.698853 -3.026629 ESP Fit Center 5623 is at -1.283689 3.430968 -3.026629 ESP Fit Center 5624 is at -1.492066 3.070047 -3.026629 ESP Fit Center 5625 is at -1.564435 2.659623 -3.026629 ESP Fit Center 5626 is at -1.492066 2.249199 -3.026629 ESP Fit Center 5627 is at -1.283689 1.888278 -3.026629 ESP Fit Center 5628 is at 0.346440 3.070047 -3.203431 ESP Fit Center 5629 is at 0.045989 3.370498 -3.203431 ESP Fit Center 5630 is at -0.364435 3.480471 -3.203431 ESP Fit Center 5631 is at -0.774859 3.370498 -3.203431 ESP Fit Center 5632 is at -1.075311 3.070047 -3.203431 ESP Fit Center 5633 is at -1.185284 2.659623 -3.203431 ESP Fit Center 5634 is at -1.075311 2.249199 -3.203431 ESP Fit Center 5635 is at -0.774859 1.948747 -3.203431 ESP Fit Center 5636 is at 0.052320 2.659623 -3.311707 ESP Fit Center 5637 is at -0.156058 3.020544 -3.311707 ESP Fit Center 5638 is at -0.572813 3.020544 -3.311707 ESP Fit Center 5639 is at -0.781191 2.659623 -3.311707 ESP Fit Center 5640 is at -0.572813 2.298702 -3.311707 ESP Fit Center 5641 is at -0.156058 2.298702 -3.311707 ESP Fit Center 5642 is at -0.364435 2.659623 -3.348168 ESP Fit Center 5643 is at 0.703282 4.903590 3.075051 ESP Fit Center 5644 is at 0.286526 4.903590 3.075051 ESP Fit Center 5645 is at 1.547872 4.849275 2.835097 ESP Fit Center 5646 is at 1.204642 5.091553 2.835097 ESP Fit Center 5647 is at 0.808774 5.232245 2.835097 ESP Fit Center 5648 is at 0.389627 5.260915 2.835097 ESP Fit Center 5649 is at -0.021711 5.175438 2.835097 ESP Fit Center 5650 is at -0.394735 4.982153 2.835097 ESP Fit Center 5651 is at 1.903282 4.903590 2.539281 ESP Fit Center 5652 is at 1.592784 5.196530 2.539281 ESP Fit Center 5653 is at 1.223099 5.409968 2.539281 ESP Fit Center 5654 is at 0.814158 5.532397 2.539281 ESP Fit Center 5655 is at 0.388005 5.557217 2.539281 ESP Fit Center 5656 is at -0.032385 5.483091 2.539281 ESP Fit Center 5657 is at -0.424349 5.314015 2.539281 ESP Fit Center 5658 is at -0.766756 5.059102 2.539281 ESP Fit Center 5659 is at 2.200829 4.909180 2.196590 ESP Fit Center 5660 is at 1.926895 5.228275 2.196590 ESP Fit Center 5661 is at 1.594335 5.485695 2.196590 ESP Fit Center 5662 is at 1.216765 5.670902 2.196590 ESP Fit Center 5663 is at 0.809641 5.776314 2.196590 ESP Fit Center 5664 is at 0.389632 5.797614 2.196590 ESP Fit Center 5665 is at -0.026067 5.733932 2.196590 ESP Fit Center 5666 is at -0.420438 5.587873 2.196590 ESP Fit Center 5667 is at -0.777334 5.365418 2.196590 ESP Fit Center 5668 is at -1.082145 5.075673 2.196590 ESP Fit Center 5669 is at 2.588617 4.560017 1.817439 ESP Fit Center 5670 is at 2.392152 4.941108 1.817439 ESP Fit Center 5671 is at 2.127114 5.278130 1.817439 ESP Fit Center 5672 is at 1.803085 5.558904 1.817439 ESP Fit Center 5673 is at 1.431774 5.773280 1.817439 ESP Fit Center 5674 is at 1.026602 5.913511 1.817439 ESP Fit Center 5675 is at 0.602214 5.974529 1.817439 ESP Fit Center 5676 is at 0.173947 5.954128 1.817439 ESP Fit Center 5677 is at -0.242720 5.853046 1.817439 ESP Fit Center 5678 is at -0.632727 5.674936 1.817439 ESP Fit Center 5679 is at -0.981979 5.426235 1.817439 ESP Fit Center 5680 is at -1.277852 5.115932 1.817439 ESP Fit Center 5681 is at 2.707731 4.552309 1.413346 ESP Fit Center 5682 is at 2.523881 4.934078 1.413346 ESP Fit Center 5683 is at 2.274818 5.276885 1.413346 ESP Fit Center 5684 is at 1.968546 5.569710 1.413346 ESP Fit Center 5685 is at 1.614911 5.803143 1.413346 ESP Fit Center 5686 is at 1.225278 5.969680 1.413346 ESP Fit Center 5687 is at 0.812170 6.063969 1.413346 ESP Fit Center 5688 is at 0.388864 6.082980 1.413346 ESP Fit Center 5689 is at -0.031033 6.026101 1.413346 ESP Fit Center 5690 is at -0.434026 5.895161 1.413346 ESP Fit Center 5691 is at -0.807162 5.694367 1.413346 ESP Fit Center 5692 is at -1.138449 5.430175 1.413346 ESP Fit Center 5693 is at -1.417239 5.111074 1.413346 ESP Fit Center 5694 is at 2.750166 4.542669 0.996590 ESP Fit Center 5695 is at 2.573365 4.921821 0.996590 ESP Fit Center 5696 is at 2.333411 5.264511 0.996590 ESP Fit Center 5697 is at 2.037594 5.560328 0.996590 ESP Fit Center 5698 is at 1.694904 5.800282 0.996590 ESP Fit Center 5699 is at 1.315753 5.977083 0.996590 ESP Fit Center 5700 is at 0.911660 6.085360 0.996590 ESP Fit Center 5701 is at 0.494904 6.121821 0.996590 ESP Fit Center 5702 is at 0.078149 6.085360 0.996590 ESP Fit Center 5703 is at -0.325944 5.977083 0.996590 ESP Fit Center 5704 is at -0.705096 5.800282 0.996590 ESP Fit Center 5705 is at -1.047786 5.560328 0.996590 ESP Fit Center 5706 is at -1.343602 5.264511 0.996590 ESP Fit Center 5707 is at -1.583557 4.921821 0.996590 ESP Fit Center 5708 is at 2.707731 4.552309 0.579835 ESP Fit Center 5709 is at 2.523881 4.934078 0.579835 ESP Fit Center 5710 is at 2.274818 5.276885 0.579835 ESP Fit Center 5711 is at 1.968546 5.569710 0.579835 ESP Fit Center 5712 is at 1.614911 5.803143 0.579835 ESP Fit Center 5713 is at 1.225278 5.969680 0.579835 ESP Fit Center 5714 is at 0.812170 6.063969 0.579835 ESP Fit Center 5715 is at 0.388864 6.082980 0.579835 ESP Fit Center 5716 is at -0.031033 6.026101 0.579835 ESP Fit Center 5717 is at -0.434026 5.895161 0.579835 ESP Fit Center 5718 is at -0.807162 5.694367 0.579835 ESP Fit Center 5719 is at -1.138449 5.430175 0.579835 ESP Fit Center 5720 is at -1.417239 5.111074 0.579835 ESP Fit Center 5721 is at 2.588617 4.560017 0.175742 ESP Fit Center 5722 is at 2.392152 4.941108 0.175742 ESP Fit Center 5723 is at 2.127114 5.278130 0.175742 ESP Fit Center 5724 is at 1.803085 5.558904 0.175742 ESP Fit Center 5725 is at 1.431774 5.773280 0.175742 ESP Fit Center 5726 is at 1.026602 5.913511 0.175742 ESP Fit Center 5727 is at 0.602214 5.974529 0.175742 ESP Fit Center 5728 is at 0.173947 5.954128 0.175742 ESP Fit Center 5729 is at -0.242720 5.853046 0.175742 ESP Fit Center 5730 is at -0.632727 5.674936 0.175742 ESP Fit Center 5731 is at -0.981979 5.426235 0.175742 ESP Fit Center 5732 is at -1.277852 5.115932 0.175742 ESP Fit Center 5733 is at 2.200829 4.909180 -0.203410 ESP Fit Center 5734 is at 1.926895 5.228275 -0.203410 ESP Fit Center 5735 is at 1.594335 5.485695 -0.203410 ESP Fit Center 5736 is at 1.216765 5.670902 -0.203410 ESP Fit Center 5737 is at 0.809641 5.776314 -0.203410 ESP Fit Center 5738 is at 0.389632 5.797614 -0.203410 ESP Fit Center 5739 is at -0.026067 5.733932 -0.203410 ESP Fit Center 5740 is at -0.420438 5.587873 -0.203410 ESP Fit Center 5741 is at -0.777334 5.365418 -0.203410 ESP Fit Center 5742 is at -1.082145 5.075673 -0.203410 ESP Fit Center 5743 is at 1.903282 4.903590 -0.546100 ESP Fit Center 5744 is at 1.592784 5.196530 -0.546100 ESP Fit Center 5745 is at 1.223099 5.409968 -0.546100 ESP Fit Center 5746 is at 0.814158 5.532397 -0.546100 ESP Fit Center 5747 is at 0.388005 5.557217 -0.546100 ESP Fit Center 5748 is at -0.032385 5.483091 -0.546100 ESP Fit Center 5749 is at -0.424349 5.314015 -0.546100 ESP Fit Center 5750 is at -0.766756 5.059102 -0.546100 ESP Fit Center 5751 is at 1.547872 4.849275 -0.841916 ESP Fit Center 5752 is at 1.204642 5.091553 -0.841916 ESP Fit Center 5753 is at 0.808774 5.232245 -0.841916 ESP Fit Center 5754 is at 0.389627 5.260915 -0.841916 ESP Fit Center 5755 is at -0.021711 5.175438 -0.841916 ESP Fit Center 5756 is at 1.094904 4.761052 -1.081871 ESP Fit Center 5757 is at 0.703282 4.903590 -1.081871 ESP Fit Center 5758 is at -0.396276 2.459553 4.232485 ESP Fit Center 5759 is at 0.020479 2.459553 4.196024 ESP Fit Center 5760 is at -0.187898 2.820474 4.196024 ESP Fit Center 5761 is at -0.604654 2.820474 4.196024 ESP Fit Center 5762 is at -0.813032 2.459553 4.196024 ESP Fit Center 5763 is at -0.604654 2.098632 4.196024 ESP Fit Center 5764 is at -0.187898 2.098632 4.196024 ESP Fit Center 5765 is at 0.424572 2.459553 4.087747 ESP Fit Center 5766 is at 0.314599 2.869978 4.087747 ESP Fit Center 5767 is at 0.014148 3.170429 4.087747 ESP Fit Center 5768 is at -0.396276 3.280402 4.087747 ESP Fit Center 5769 is at -0.806700 3.170429 4.087747 ESP Fit Center 5770 is at -1.107152 2.869978 4.087747 ESP Fit Center 5771 is at -1.217124 2.459553 4.087747 ESP Fit Center 5772 is at -1.107152 2.049129 4.087747 ESP Fit Center 5773 is at -0.806700 1.748678 4.087747 ESP Fit Center 5774 is at -0.396276 1.638705 4.087747 ESP Fit Center 5775 is at 0.014148 1.748678 4.087747 ESP Fit Center 5776 is at 0.314599 2.049129 4.087747 ESP Fit Center 5777 is at -0.187898 3.641323 3.910946 ESP Fit Center 5778 is at -0.604654 3.641323 3.910946 ESP Fit Center 5779 is at -0.996276 3.498784 3.910946 ESP Fit Center 5780 is at -1.315529 3.230899 3.910946 ESP Fit Center 5781 is at -1.523907 2.869978 3.910946 ESP Fit Center 5782 is at -1.596276 2.459553 3.910946 ESP Fit Center 5783 is at -1.523907 2.049129 3.910946 ESP Fit Center 5784 is at -1.315529 1.688208 3.910946 ESP Fit Center 5785 is at -0.996276 1.420323 3.910946 ESP Fit Center 5786 is at -0.604654 1.277784 3.910946 ESP Fit Center 5787 is at -0.187898 1.277784 3.910946 ESP Fit Center 5788 is at 0.203724 1.420323 3.910946 ESP Fit Center 5789 is at -0.501553 3.998647 3.670992 ESP Fit Center 5790 is at -0.912892 3.913170 3.670992 ESP Fit Center 5791 is at -1.285915 3.719885 3.670992 ESP Fit Center 5792 is at -1.592958 3.433127 3.670992 ESP Fit Center 5793 is at -1.811249 3.074163 3.670992 ESP Fit Center 5794 is at -1.924598 2.669616 3.670992 ESP Fit Center 5795 is at -1.924598 2.249490 3.670992 ESP Fit Center 5796 is at -1.811249 1.844944 3.670992 ESP Fit Center 5797 is at -1.592958 1.485980 3.670992 ESP Fit Center 5798 is at -1.285915 1.199222 3.670992 ESP Fit Center 5799 is at -0.912892 1.005937 3.670992 ESP Fit Center 5800 is at -0.501553 0.920459 3.670992 ESP Fit Center 5801 is at -0.082407 0.949130 3.670992 ESP Fit Center 5802 is at 0.313462 1.089822 3.670992 ESP Fit Center 5803 is at -0.923566 4.220823 3.375175 ESP Fit Center 5804 is at -1.315529 4.051747 3.375175 ESP Fit Center 5805 is at -1.657936 3.796835 3.375175 ESP Fit Center 5806 is at -1.932326 3.469829 3.375175 ESP Fit Center 5807 is at -2.123907 3.088360 3.375175 ESP Fit Center 5808 is at -2.222351 2.672991 3.375175 ESP Fit Center 5809 is at -2.222351 2.246116 3.375175 ESP Fit Center 5810 is at -2.123907 1.830747 3.375175 ESP Fit Center 5811 is at -1.932326 1.449277 3.375175 ESP Fit Center 5812 is at -1.657936 1.122272 3.375175 ESP Fit Center 5813 is at -1.315529 0.867360 3.375175 ESP Fit Center 5814 is at -0.923566 0.698283 3.375175 ESP Fit Center 5815 is at -0.503176 0.624157 3.375175 ESP Fit Center 5816 is at -0.077023 0.648978 3.375175 ESP Fit Center 5817 is at -1.311618 4.325605 3.032485 ESP Fit Center 5818 is at -1.668515 4.103150 3.032485 ESP Fit Center 5819 is at -1.973325 3.813406 3.032485 ESP Fit Center 5820 is at -2.213571 3.468235 3.032485 ESP Fit Center 5821 is at -2.379417 3.081768 3.032485 ESP Fit Center 5822 is at -2.464073 2.669828 3.032485 ESP Fit Center 5823 is at -2.464073 2.249279 3.032485 ESP Fit Center 5824 is at -2.379417 1.837339 3.032485 ESP Fit Center 5825 is at -2.213571 1.450872 3.032485 ESP Fit Center 5826 is at -1.973325 1.105701 3.032485 ESP Fit Center 5827 is at -1.668515 0.815957 3.032485 ESP Fit Center 5828 is at -1.311618 0.593502 3.032485 ESP Fit Center 5829 is at -0.917248 0.447443 3.032485 ESP Fit Center 5830 is at -1.523907 4.412668 2.653333 ESP Fit Center 5831 is at -1.873159 4.163967 2.653333 ESP Fit Center 5832 is at -2.169032 3.853664 2.653333 ESP Fit Center 5833 is at -2.400833 3.492974 2.653333 ESP Fit Center 5834 is at -2.560184 3.094934 2.653333 ESP Fit Center 5835 is at -2.641326 2.673930 2.653333 ESP Fit Center 5836 is at -2.641326 2.245177 2.653333 ESP Fit Center 5837 is at -2.029629 4.167907 2.249241 ESP Fit Center 5838 is at -2.308419 3.848807 2.249241 ESP Fit Center 5839 is at -2.525751 3.485054 2.249241 ESP Fit Center 5840 is at -2.234783 4.002244 1.832485 ESP Fit Center 5841 is at -5.076274 0.396592 2.008953 ESP Fit Center 5842 is at -5.148643 -0.013832 2.008953 ESP Fit Center 5843 is at -5.145325 0.959741 1.768999 ESP Fit Center 5844 is at -5.363616 0.600777 1.768999 ESP Fit Center 5845 is at -5.476964 0.196231 1.768999 ESP Fit Center 5846 is at -5.476964 -0.223895 1.768999 ESP Fit Center 5847 is at -5.363616 -0.628442 1.768999 ESP Fit Center 5848 is at -4.867896 1.578361 1.473183 ESP Fit Center 5849 is at -5.210303 1.323449 1.473183 ESP Fit Center 5850 is at -5.484693 0.996444 1.473183 ESP Fit Center 5851 is at -5.676274 0.614974 1.473183 ESP Fit Center 5852 is at -5.774718 0.199605 1.473183 ESP Fit Center 5853 is at -5.774718 -0.227270 1.473183 ESP Fit Center 5854 is at -5.676274 -0.642639 1.473183 ESP Fit Center 5855 is at -5.484693 -1.024108 1.473183 ESP Fit Center 5856 is at -5.220881 1.629764 1.130492 ESP Fit Center 5857 is at -5.525692 1.340020 1.130492 ESP Fit Center 5858 is at -5.765938 0.994849 1.130492 ESP Fit Center 5859 is at -5.931784 0.608382 1.130492 ESP Fit Center 5860 is at -6.016440 0.196442 1.130492 ESP Fit Center 5861 is at -6.016440 -0.224107 1.130492 ESP Fit Center 5862 is at -5.931784 -0.636047 1.130492 ESP Fit Center 5863 is at -5.765938 -1.022514 1.130492 ESP Fit Center 5864 is at -5.425526 1.690581 0.751341 ESP Fit Center 5865 is at -5.721399 1.380278 0.751341 ESP Fit Center 5866 is at -5.953200 1.019589 0.751341 ESP Fit Center 5867 is at -6.112551 0.621548 0.751341 ESP Fit Center 5868 is at -6.193693 0.200544 0.751341 ESP Fit Center 5869 is at -6.193693 -0.228209 0.751341 ESP Fit Center 5870 is at -6.112551 -0.649213 0.751341 ESP Fit Center 5871 is at -5.953200 -1.047253 0.751341 ESP Fit Center 5872 is at -5.581996 1.694521 0.347248 ESP Fit Center 5873 is at -5.860786 1.375421 0.347248 ESP Fit Center 5874 is at -6.078118 1.011669 0.347248 ESP Fit Center 5875 is at -6.227006 0.614956 0.347248 ESP Fit Center 5876 is at -6.302667 0.198034 0.347248 ESP Fit Center 5877 is at -6.302667 -0.225698 0.347248 ESP Fit Center 5878 is at -6.227006 -0.642621 0.347248 ESP Fit Center 5879 is at -6.078118 -1.039333 0.347248 ESP Fit Center 5880 is at -5.491333 1.824674 -0.069508 ESP Fit Center 5881 is at -5.787149 1.528858 -0.069508 ESP Fit Center 5882 is at -6.027104 1.186168 -0.069508 ESP Fit Center 5883 is at -6.203905 0.807016 -0.069508 ESP Fit Center 5884 is at -6.312181 0.402923 -0.069508 ESP Fit Center 5885 is at -6.348643 -0.013832 -0.069508 ESP Fit Center 5886 is at -6.312181 -0.430588 -0.069508 ESP Fit Center 5887 is at -6.203905 -0.834681 -0.069508 ESP Fit Center 5888 is at -6.027104 -1.213832 -0.069508 ESP Fit Center 5889 is at -5.581996 1.694521 -0.486263 ESP Fit Center 5890 is at -5.860786 1.375421 -0.486263 ESP Fit Center 5891 is at -6.078118 1.011669 -0.486263 ESP Fit Center 5892 is at -6.227006 0.614956 -0.486263 ESP Fit Center 5893 is at -6.302667 0.198034 -0.486263 ESP Fit Center 5894 is at -6.302667 -0.225698 -0.486263 ESP Fit Center 5895 is at -6.227006 -0.642621 -0.486263 ESP Fit Center 5896 is at -6.078118 -1.039333 -0.486263 ESP Fit Center 5897 is at -5.860786 -1.403086 -0.486263 ESP Fit Center 5898 is at -5.425526 1.690581 -0.890356 ESP Fit Center 5899 is at -5.721399 1.380278 -0.890356 ESP Fit Center 5900 is at -5.953200 1.019589 -0.890356 ESP Fit Center 5901 is at -6.112551 0.621548 -0.890356 ESP Fit Center 5902 is at -6.193693 0.200544 -0.890356 ESP Fit Center 5903 is at -6.193693 -0.228209 -0.890356 ESP Fit Center 5904 is at -6.112551 -0.649213 -0.890356 ESP Fit Center 5905 is at -5.953200 -1.047253 -0.890356 ESP Fit Center 5906 is at -5.721399 -1.407943 -0.890356 ESP Fit Center 5907 is at -5.220881 1.629764 -1.269508 ESP Fit Center 5908 is at -5.525692 1.340020 -1.269508 ESP Fit Center 5909 is at -5.765938 0.994849 -1.269508 ESP Fit Center 5910 is at -5.931784 0.608382 -1.269508 ESP Fit Center 5911 is at -6.016440 0.196442 -1.269508 ESP Fit Center 5912 is at -6.016440 -0.224107 -1.269508 ESP Fit Center 5913 is at -5.931784 -0.636047 -1.269508 ESP Fit Center 5914 is at -5.765938 -1.022514 -1.269508 ESP Fit Center 5915 is at -5.525692 -1.367685 -1.269508 ESP Fit Center 5916 is at -5.210303 1.323449 -1.612198 ESP Fit Center 5917 is at -5.484693 0.996444 -1.612198 ESP Fit Center 5918 is at -5.676274 0.614974 -1.612198 ESP Fit Center 5919 is at -5.774718 0.199605 -1.612198 ESP Fit Center 5920 is at -5.774718 -0.227270 -1.612198 ESP Fit Center 5921 is at -5.676274 -0.642639 -1.612198 ESP Fit Center 5922 is at -5.484693 -1.024108 -1.612198 ESP Fit Center 5923 is at -5.210303 -1.351114 -1.612198 ESP Fit Center 5924 is at -4.838282 1.246499 -1.908014 ESP Fit Center 5925 is at -5.145325 0.959741 -1.908014 ESP Fit Center 5926 is at -5.363616 0.600777 -1.908014 ESP Fit Center 5927 is at -5.476964 0.196231 -1.908014 ESP Fit Center 5928 is at -5.476964 -0.223895 -1.908014 ESP Fit Center 5929 is at -5.363616 -0.628442 -1.908014 ESP Fit Center 5930 is at -5.145325 -0.987406 -1.908014 ESP Fit Center 5931 is at -5.076274 0.396592 -2.147969 ESP Fit Center 5932 is at -5.148643 -0.013832 -2.147969 ESP Fit Center 5933 is at -5.076274 -0.424257 -2.147969 ESP Fit Center 5934 is at 1.831306 -0.715415 3.998140 ESP Fit Center 5935 is at 2.247329 -0.715415 3.976337 ESP Fit Center 5936 is at 2.039318 -0.355128 3.976337 ESP Fit Center 5937 is at 1.623294 -0.355128 3.976337 ESP Fit Center 5938 is at 1.415283 -0.715415 3.976337 ESP Fit Center 5939 is at 1.623294 -1.075702 3.976337 ESP Fit Center 5940 is at 2.039318 -1.075702 3.976337 ESP Fit Center 5941 is at 2.658795 -0.715415 3.911168 ESP Fit Center 5942 is at 2.547932 -0.301671 3.911168 ESP Fit Center 5943 is at 2.245050 0.001211 3.911168 ESP Fit Center 5944 is at 1.831306 0.112073 3.911168 ESP Fit Center 5945 is at 1.417562 0.001211 3.911168 ESP Fit Center 5946 is at 1.114680 -0.301671 3.911168 ESP Fit Center 5947 is at 1.003817 -0.715415 3.911168 ESP Fit Center 5948 is at 1.114680 -1.129159 3.911168 ESP Fit Center 5949 is at 1.417562 -1.432041 3.911168 ESP Fit Center 5950 is at 1.831306 -1.542904 3.911168 ESP Fit Center 5951 is at 2.245050 -1.432041 3.911168 ESP Fit Center 5952 is at 2.547932 -1.129159 3.911168 ESP Fit Center 5953 is at 3.061194 -0.715415 3.803345 ESP Fit Center 5954 is at 2.987022 -0.294769 3.803345 ESP Fit Center 5955 is at 2.773455 0.075141 3.803345 ESP Fit Center 5956 is at 2.446250 0.349699 3.803345 ESP Fit Center 5957 is at 2.044874 0.495788 3.803345 ESP Fit Center 5958 is at 1.617738 0.495788 3.803345 ESP Fit Center 5959 is at 1.216362 0.349699 3.803345 ESP Fit Center 5960 is at 0.889157 0.075141 3.803345 ESP Fit Center 5961 is at 0.675590 -0.294769 3.803345 ESP Fit Center 5962 is at 0.601418 -0.715415 3.803345 ESP Fit Center 5963 is at 0.675590 -1.136062 3.803345 ESP Fit Center 5964 is at 0.889157 -1.505972 3.803345 ESP Fit Center 5965 is at 1.216362 -1.780529 3.803345 ESP Fit Center 5966 is at 1.617738 -1.926618 3.803345 ESP Fit Center 5967 is at 2.044874 -1.926618 3.803345 ESP Fit Center 5968 is at 2.446250 -1.780529 3.803345 ESP Fit Center 5969 is at 2.773455 -1.505972 3.803345 ESP Fit Center 5970 is at 2.987022 -1.136062 3.803345 ESP Fit Center 5971 is at 3.450118 -0.715415 3.654051 ESP Fit Center 5972 is at 3.394958 -0.296436 3.654051 ESP Fit Center 5973 is at 3.233238 0.093991 3.654051 ESP Fit Center 5974 is at 2.975979 0.429258 3.654051 ESP Fit Center 5975 is at 2.640712 0.686517 3.654051 ESP Fit Center 5976 is at 2.250285 0.848237 3.654051 ESP Fit Center 5977 is at 1.831306 0.903397 3.654051 ESP Fit Center 5978 is at 1.412327 0.848237 3.654051 ESP Fit Center 5979 is at 1.021900 0.686517 3.654051 ESP Fit Center 5980 is at 0.686633 0.429258 3.654051 ESP Fit Center 5981 is at 0.429374 0.093991 3.654051 ESP Fit Center 5982 is at 0.267654 -0.296436 3.654051 ESP Fit Center 5983 is at 0.212494 -0.715415 3.654051 ESP Fit Center 5984 is at 0.267654 -1.134395 3.654051 ESP Fit Center 5985 is at 0.429374 -1.524821 3.654051 ESP Fit Center 5986 is at 0.686633 -1.860088 3.654051 ESP Fit Center 5987 is at 1.021900 -2.117347 3.654051 ESP Fit Center 5988 is at 1.412327 -2.279067 3.654051 ESP Fit Center 5989 is at 1.831306 -2.334227 3.654051 ESP Fit Center 5990 is at 2.250285 -2.279067 3.654051 ESP Fit Center 5991 is at 2.640712 -2.117347 3.654051 ESP Fit Center 5992 is at 2.975979 -1.860088 3.654051 ESP Fit Center 5993 is at 3.233238 -1.524821 3.654051 ESP Fit Center 5994 is at 3.394958 -1.134395 3.654051 ESP Fit Center 5995 is at 3.821306 -0.715415 3.464921 ESP Fit Center 5996 is at 3.777820 -0.301671 3.464921 ESP Fit Center 5997 is at 3.649261 0.093991 3.464921 ESP Fit Center 5998 is at 3.441250 0.454277 3.464921 ESP Fit Center 5999 is at 3.162876 0.763443 3.464921 ESP Fit Center 6000 is at 2.826306 1.007975 3.464921 ESP Fit Center 6001 is at 2.446250 1.177187 3.464921 ESP Fit Center 6002 is at 0.499736 0.763443 3.464921 ESP Fit Center 6003 is at 0.221362 0.454277 3.464921 ESP Fit Center 6004 is at 0.013351 0.093991 3.464921 ESP Fit Center 6005 is at -0.115208 -0.301671 3.464921 ESP Fit Center 6006 is at -0.158694 -0.715415 3.464921 ESP Fit Center 6007 is at -0.115208 -1.129159 3.464921 ESP Fit Center 6008 is at 0.013351 -1.524821 3.464921 ESP Fit Center 6009 is at 0.221362 -1.885108 3.464921 ESP Fit Center 6010 is at 0.499736 -2.194273 3.464921 ESP Fit Center 6011 is at 0.836306 -2.438806 3.464921 ESP Fit Center 6012 is at 1.216362 -2.608018 3.464921 ESP Fit Center 6013 is at 1.623294 -2.694514 3.464921 ESP Fit Center 6014 is at 2.039318 -2.694514 3.464921 ESP Fit Center 6015 is at 2.446250 -2.608018 3.464921 ESP Fit Center 6016 is at 2.826306 -2.438806 3.464921 ESP Fit Center 6017 is at 3.162876 -2.194273 3.464921 ESP Fit Center 6018 is at 3.441250 -1.885108 3.464921 ESP Fit Center 6019 is at 3.649261 -1.524821 3.464921 ESP Fit Center 6020 is at 3.777820 -1.129159 3.464921 ESP Fit Center 6021 is at 4.170691 -0.715415 3.238028 ESP Fit Center 6022 is at 4.133096 -0.297702 3.238028 ESP Fit Center 6023 is at 4.021520 0.106586 3.238028 ESP Fit Center 6024 is at 3.839549 0.484454 3.238028 ESP Fit Center 6025 is at 3.593030 0.823757 3.238028 ESP Fit Center 6026 is at 3.289889 1.113590 3.238028 ESP Fit Center 6027 is at 2.939867 1.344637 3.238028 ESP Fit Center 6028 is at -0.276407 0.299606 3.238028 ESP Fit Center 6029 is at -0.423775 -0.093053 3.238028 ESP Fit Center 6030 is at -0.498662 -0.505714 3.238028 ESP Fit Center 6031 is at -0.498662 -0.925116 3.238028 ESP Fit Center 6032 is at -0.423775 -1.337778 3.238028 ESP Fit Center 6033 is at -0.276407 -1.730436 3.238028 ESP Fit Center 6034 is at -0.061296 -2.090471 3.238028 ESP Fit Center 6035 is at 0.214644 -2.406311 3.238028 ESP Fit Center 6036 is at 0.542546 -2.667804 3.238028 ESP Fit Center 6037 is at 0.911869 -2.866545 3.238028 ESP Fit Center 6038 is at 1.310744 -2.996147 3.238028 ESP Fit Center 6039 is at 1.726350 -3.052445 3.238028 ESP Fit Center 6040 is at 2.145329 -3.033629 3.238028 ESP Fit Center 6041 is at 2.554216 -2.940303 3.238028 ESP Fit Center 6042 is at 2.939867 -2.775467 3.238028 ESP Fit Center 6043 is at 3.289889 -2.544420 3.238028 ESP Fit Center 6044 is at 3.593030 -2.254587 3.238028 ESP Fit Center 6045 is at 3.839549 -1.915284 3.238028 ESP Fit Center 6046 is at 4.021520 -1.537416 3.238028 ESP Fit Center 6047 is at 4.133096 -1.133129 3.238028 ESP Fit Center 6048 is at 4.494446 -0.715415 2.975857 ESP Fit Center 6049 is at 4.461658 -0.298808 2.975857 ESP Fit Center 6050 is at 4.364102 0.107540 2.975857 ESP Fit Center 6051 is at 4.204181 0.493625 2.975857 ESP Fit Center 6052 is at 3.985831 0.849939 2.975857 ESP Fit Center 6053 is at 3.714430 1.167709 2.975857 ESP Fit Center 6054 is at 3.396660 1.439110 2.975857 ESP Fit Center 6055 is at -0.701490 0.107540 2.975857 ESP Fit Center 6056 is at -0.799046 -0.298808 2.975857 ESP Fit Center 6057 is at -0.831834 -0.715415 2.975857 ESP Fit Center 6058 is at -0.323219 -2.280770 2.975857 ESP Fit Center 6059 is at -0.051818 -2.598539 2.975857 ESP Fit Center 6060 is at 0.265952 -2.869941 2.975857 ESP Fit Center 6061 is at 0.622266 -3.088290 2.975857 ESP Fit Center 6062 is at 1.008351 -3.248212 2.975857 ESP Fit Center 6063 is at 1.414699 -3.345767 2.975857 ESP Fit Center 6064 is at 1.831306 -3.378555 2.975857 ESP Fit Center 6065 is at 2.247913 -3.345767 2.975857 ESP Fit Center 6066 is at 2.654261 -3.248212 2.975857 ESP Fit Center 6067 is at 3.040346 -3.088290 2.975857 ESP Fit Center 6068 is at 3.396660 -2.869941 2.975857 ESP Fit Center 6069 is at 3.714430 -2.598539 2.975857 ESP Fit Center 6070 is at 3.985831 -2.280770 2.975857 ESP Fit Center 6071 is at 4.204181 -1.924455 2.975857 ESP Fit Center 6072 is at 4.364102 -1.538371 2.975857 ESP Fit Center 6073 is at 4.461658 -1.132022 2.975857 ESP Fit Center 6074 is at 4.789022 -0.715415 2.681280 ESP Fit Center 6075 is at 4.760238 -0.303781 2.681280 ESP Fit Center 6076 is at 4.674446 0.099842 2.681280 ESP Fit Center 6077 is at 4.533314 0.487596 2.681280 ESP Fit Center 6078 is at 4.339592 0.851936 2.681280 ESP Fit Center 6079 is at 4.097048 1.185768 2.681280 ESP Fit Center 6080 is at 3.810405 1.482596 2.681280 ESP Fit Center 6081 is at 3.485240 1.736643 2.681280 ESP Fit Center 6082 is at 0.010354 -3.046128 2.681280 ESP Fit Center 6083 is at 0.352448 -3.276873 2.681280 ESP Fit Center 6084 is at 0.723326 -3.457762 2.681280 ESP Fit Center 6085 is at 1.115770 -3.585275 2.681280 ESP Fit Center 6086 is at 1.522140 -3.656929 2.681280 ESP Fit Center 6087 is at 1.934529 -3.671330 2.681280 ESP Fit Center 6088 is at 2.344908 -3.628197 2.681280 ESP Fit Center 6089 is at 2.745291 -3.528371 2.681280 ESP Fit Center 6090 is at 3.127884 -3.373793 2.681280 ESP Fit Center 6091 is at 3.485240 -3.167473 2.681280 ESP Fit Center 6092 is at 3.810405 -2.913427 2.681280 ESP Fit Center 6093 is at 4.097048 -2.616599 2.681280 ESP Fit Center 6094 is at 4.339592 -2.282766 2.681280 ESP Fit Center 6095 is at 4.533314 -1.918427 2.681280 ESP Fit Center 6096 is at 4.674446 -1.530672 2.681280 ESP Fit Center 6097 is at 4.760238 -1.127050 2.681280 ESP Fit Center 6098 is at 5.051194 -0.715415 2.357525 ESP Fit Center 6099 is at 5.024758 -0.303665 2.357525 ESP Fit Center 6100 is at 4.945887 0.101324 2.357525 ESP Fit Center 6101 is at 4.815874 0.492902 2.357525 ESP Fit Center 6102 is at 4.636854 0.864640 2.357525 ESP Fit Center 6103 is at 4.411768 1.210433 2.357525 ESP Fit Center 6104 is at 4.144310 1.524604 2.357525 ESP Fit Center 6105 is at 3.838873 1.801994 2.357525 ESP Fit Center 6106 is at -0.010845 -3.356278 2.357525 ESP Fit Center 6107 is at 0.341985 -3.570165 2.357525 ESP Fit Center 6108 is at 0.719269 -3.737178 2.357525 ESP Fit Center 6109 is at 1.114814 -3.854574 2.357525 ESP Fit Center 6110 is at 1.522123 -3.920424 2.357525 ESP Fit Center 6111 is at 1.934508 -3.933649 2.357525 ESP Fit Center 6112 is at 2.345200 -3.894030 2.357525 ESP Fit Center 6113 is at 2.747453 -3.802218 2.357525 ESP Fit Center 6114 is at 3.134663 -3.659721 2.357525 ESP Fit Center 6115 is at 3.500472 -3.468879 2.357525 ESP Fit Center 6116 is at 3.838873 -3.232825 2.357525 ESP Fit Center 6117 is at 4.144310 -2.955435 2.357525 ESP Fit Center 6118 is at 4.411768 -2.641264 2.357525 ESP Fit Center 6119 is at 4.636854 -2.295471 2.357525 ESP Fit Center 6120 is at 4.815874 -1.923733 2.357525 ESP Fit Center 6121 is at 4.945887 -1.532154 2.357525 ESP Fit Center 6122 is at 5.024758 -1.127165 2.357525 ESP Fit Center 6123 is at 5.278087 -0.715415 2.008140 ESP Fit Center 6124 is at 5.252956 -0.299952 2.008140 ESP Fit Center 6125 is at 5.177930 0.109453 2.008140 ESP Fit Center 6126 is at 5.054102 0.506830 2.008140 ESP Fit Center 6127 is at 4.883279 0.886384 2.008140 ESP Fit Center 6128 is at 4.667951 1.242580 2.008140 ESP Fit Center 6129 is at 4.411259 1.570223 2.008140 ESP Fit Center 6130 is at 4.116945 1.864537 2.008140 ESP Fit Center 6131 is at 3.789301 2.121230 2.008140 ESP Fit Center 6132 is at 0.609061 -3.938212 2.008140 ESP Fit Center 6133 is at 1.006437 -4.062039 2.008140 ESP Fit Center 6134 is at 1.415842 -4.137065 2.008140 ESP Fit Center 6135 is at 1.831306 -4.162196 2.008140 ESP Fit Center 6136 is at 2.246770 -4.137065 2.008140 ESP Fit Center 6137 is at 2.656175 -4.062039 2.008140 ESP Fit Center 6138 is at 3.053551 -3.938212 2.008140 ESP Fit Center 6139 is at 3.433105 -3.767388 2.008140 ESP Fit Center 6140 is at 3.789301 -3.552060 2.008140 ESP Fit Center 6141 is at 4.116945 -3.295368 2.008140 ESP Fit Center 6142 is at 4.411259 -3.001054 2.008140 ESP Fit Center 6143 is at 4.667951 -2.673410 2.008140 ESP Fit Center 6144 is at 4.883279 -2.317214 2.008140 ESP Fit Center 6145 is at 5.054102 -1.937661 2.008140 ESP Fit Center 6146 is at 5.177930 -1.540284 2.008140 ESP Fit Center 6147 is at 5.252956 -1.130879 2.008140 ESP Fit Center 6148 is at 5.467217 -0.715415 1.636952 ESP Fit Center 6149 is at 5.443517 -0.300953 1.636952 ESP Fit Center 6150 is at 5.372727 0.108107 1.636952 ESP Fit Center 6151 is at 5.255768 0.506430 1.636952 ESP Fit Center 6152 is at 5.094167 0.888825 1.636952 ESP Fit Center 6153 is at 4.890029 1.250307 1.636952 ESP Fit Center 6154 is at 4.646016 1.586162 1.636952 ESP Fit Center 6155 is at 4.365309 1.892012 1.636952 ESP Fit Center 6156 is at 4.051567 2.163871 1.636952 ESP Fit Center 6157 is at 3.708881 2.398194 1.636952 ESP Fit Center 6158 is at 0.512170 -4.103590 1.636952 ESP Fit Center 6159 is at 0.906991 -4.231875 1.636952 ESP Fit Center 6160 is at 1.313862 -4.314318 1.636952 ESP Fit Center 6161 is at 1.727479 -4.349843 1.636952 ESP Fit Center 6162 is at 2.142449 -4.337989 1.636952 ESP Fit Center 6163 is at 2.553363 -4.278908 1.636952 ESP Fit Center 6164 is at 2.954864 -4.173372 1.636952 ESP Fit Center 6165 is at 3.341718 -4.022756 1.636952 ESP Fit Center 6166 is at 3.708881 -3.829024 1.636952 ESP Fit Center 6167 is at 4.051567 -3.594701 1.636952 ESP Fit Center 6168 is at 4.365309 -3.322843 1.636952 ESP Fit Center 6169 is at 4.646016 -3.016992 1.636952 ESP Fit Center 6170 is at 4.890029 -2.681137 1.636952 ESP Fit Center 6171 is at 5.094167 -2.319656 1.636952 ESP Fit Center 6172 is at 5.255768 -1.937261 1.636952 ESP Fit Center 6173 is at 5.372727 -1.538937 1.636952 ESP Fit Center 6174 is at 5.443517 -1.129878 1.636952 ESP Fit Center 6175 is at 5.616511 -0.715415 1.248028 ESP Fit Center 6176 is at 5.594322 -0.306163 1.248028 ESP Fit Center 6177 is at 5.528015 0.098292 1.248028 ESP Fit Center 6178 is at 5.418367 0.493207 1.248028 ESP Fit Center 6179 is at 5.266665 0.873951 1.248028 ESP Fit Center 6180 is at 5.074686 1.236062 1.248028 ESP Fit Center 6181 is at 4.844681 1.575293 1.248028 ESP Fit Center 6182 is at 4.579348 1.887668 1.248028 ESP Fit Center 6183 is at 4.281796 2.169524 1.248028 ESP Fit Center 6184 is at 3.955514 2.417557 1.248028 ESP Fit Center 6185 is at 0.818656 -4.362649 1.248028 ESP Fit Center 6186 is at 1.218928 -4.450756 1.248028 ESP Fit Center 6187 is at 1.626379 -4.495069 1.248028 ESP Fit Center 6188 is at 2.036233 -4.495069 1.248028 ESP Fit Center 6189 is at 2.443684 -4.450756 1.248028 ESP Fit Center 6190 is at 2.843956 -4.362649 1.248028 ESP Fit Center 6191 is at 3.232355 -4.231782 1.248028 ESP Fit Center 6192 is at 3.604328 -4.059689 1.248028 ESP Fit Center 6193 is at 3.955514 -3.848388 1.248028 ESP Fit Center 6194 is at 4.281796 -3.600355 1.248028 ESP Fit Center 6195 is at 4.579348 -3.318499 1.248028 ESP Fit Center 6196 is at 4.844681 -3.006124 1.248028 ESP Fit Center 6197 is at 5.074686 -2.666892 1.248028 ESP Fit Center 6198 is at 5.266665 -2.304782 1.248028 ESP Fit Center 6199 is at 5.418367 -1.924037 1.248028 ESP Fit Center 6200 is at 5.528015 -1.529122 1.248028 ESP Fit Center 6201 is at 5.594322 -1.124668 1.248028 ESP Fit Center 6202 is at 5.724333 -0.715415 0.845629 ESP Fit Center 6203 is at 5.702279 -0.301612 0.845629 ESP Fit Center 6204 is at 5.636364 0.107503 0.845629 ESP Fit Center 6205 is at 5.527337 0.507294 0.845629 ESP Fit Center 6206 is at 5.376432 0.893231 0.845629 ESP Fit Center 6207 is at 5.185360 1.260942 0.845629 ESP Fit Center 6208 is at 4.956284 1.606259 0.845629 ESP Fit Center 6209 is at 4.691802 1.925271 0.845629 ESP Fit Center 6210 is at 4.394909 2.214363 0.845629 ESP Fit Center 6211 is at 4.068969 2.470260 0.845629 ESP Fit Center 6212 is at 3.717676 2.690061 0.845629 ESP Fit Center 6213 is at 0.907387 -4.497218 0.845629 ESP Fit Center 6214 is at 1.314602 -4.574000 0.845629 ESP Fit Center 6215 is at 1.727672 -4.607063 0.845629 ESP Fit Center 6216 is at 2.141916 -4.596032 0.845629 ESP Fit Center 6217 is at 2.552640 -4.541031 0.845629 ESP Fit Center 6218 is at 2.955192 -4.442686 0.845629 ESP Fit Center 6219 is at 3.345009 -4.302108 0.845629 ESP Fit Center 6220 is at 3.717676 -4.120892 0.845629 ESP Fit Center 6221 is at 4.068969 -3.901090 0.845629 ESP Fit Center 6222 is at 4.394909 -3.645194 0.845629 ESP Fit Center 6223 is at 4.691802 -3.356102 0.845629 ESP Fit Center 6224 is at 4.956284 -3.037090 0.845629 ESP Fit Center 6225 is at 5.185360 -2.691772 0.845629 ESP Fit Center 6226 is at 5.376432 -2.324062 0.845629 ESP Fit Center 6227 is at 5.527337 -1.938124 0.845629 ESP Fit Center 6228 is at 5.636364 -1.538334 0.845629 ESP Fit Center 6229 is at 5.702279 -1.129219 0.845629 ESP Fit Center 6230 is at 5.789503 -0.715415 0.434163 ESP Fit Center 6231 is at 5.767820 -0.301671 0.434163 ESP Fit Center 6232 is at 5.703007 0.107540 0.434163 ESP Fit Center 6233 is at 5.595775 0.507735 0.434163 ESP Fit Center 6234 is at 5.447299 0.894529 0.434163 ESP Fit Center 6235 is at 5.259205 1.263683 0.434163 ESP Fit Center 6236 is at 5.033555 1.611155 0.434163 ESP Fit Center 6237 is at 4.772820 1.933136 0.434163 ESP Fit Center 6238 is at 4.479857 2.226099 0.434163 ESP Fit Center 6239 is at 4.157876 2.486834 0.434163 ESP Fit Center 6240 is at 1.008351 -4.587116 0.434163 ESP Fit Center 6241 is at 1.417562 -4.651929 0.434163 ESP Fit Center 6242 is at 1.831306 -4.673612 0.434163 ESP Fit Center 6243 is at 2.245050 -4.651929 0.434163 ESP Fit Center 6244 is at 2.654261 -4.587116 0.434163 ESP Fit Center 6245 is at 3.054456 -4.479884 0.434163 ESP Fit Center 6246 is at 3.441250 -4.331408 0.434163 ESP Fit Center 6247 is at 3.810405 -4.143315 0.434163 ESP Fit Center 6248 is at 4.157876 -3.917664 0.434163 ESP Fit Center 6249 is at 4.479857 -3.656929 0.434163 ESP Fit Center 6250 is at 4.772820 -3.363966 0.434163 ESP Fit Center 6251 is at 5.033555 -3.041985 0.434163 ESP Fit Center 6252 is at 5.259205 -2.694514 0.434163 ESP Fit Center 6253 is at 5.447299 -2.325359 0.434163 ESP Fit Center 6254 is at 5.595775 -1.938565 0.434163 ESP Fit Center 6255 is at 5.703007 -1.538371 0.434163 ESP Fit Center 6256 is at 5.767820 -1.129159 0.434163 ESP Fit Center 6257 is at 5.811306 -0.715415 0.018140 ESP Fit Center 6258 is at 5.790212 -0.306188 0.018140 ESP Fit Center 6259 is at 5.727152 0.098702 0.018140 ESP Fit Center 6260 is at 5.622795 0.494962 0.018140 ESP Fit Center 6261 is at 5.478247 0.878391 0.018140 ESP Fit Center 6262 is at 5.295041 1.244926 0.018140 ESP Fit Center 6263 is at 5.075119 1.590681 0.018140 ESP Fit Center 6264 is at 4.820811 1.911990 0.018140 ESP Fit Center 6265 is at 4.534814 2.205449 0.018140 ESP Fit Center 6266 is at 4.220159 2.467945 0.018140 ESP Fit Center 6267 is at 0.718953 -4.536812 0.018140 ESP Fit Center 6268 is at 1.117769 -4.630931 0.018140 ESP Fit Center 6269 is at 1.524148 -4.683545 0.018140 ESP Fit Center 6270 is at 1.933783 -4.694096 0.018140 ESP Fit Center 6271 is at 2.342331 -4.662471 0.018140 ESP Fit Center 6272 is at 2.745463 -4.589007 0.018140 ESP Fit Center 6273 is at 3.138905 -4.474482 0.018140 ESP Fit Center 6274 is at 3.518485 -4.320110 0.018140 ESP Fit Center 6275 is at 3.880181 -4.127527 0.018140 ESP Fit Center 6276 is at 4.220159 -3.898775 0.018140 ESP Fit Center 6277 is at 4.534814 -3.636279 0.018140 ESP Fit Center 6278 is at 4.820811 -3.342821 0.018140 ESP Fit Center 6279 is at 5.075119 -3.021511 0.018140 ESP Fit Center 6280 is at 5.295041 -2.675757 0.018140 ESP Fit Center 6281 is at 5.478247 -2.309222 0.018140 ESP Fit Center 6282 is at 5.622795 -1.925792 0.018140 ESP Fit Center 6283 is at 5.727152 -1.529532 0.018140 ESP Fit Center 6284 is at 5.790212 -1.124643 0.018140 ESP Fit Center 6285 is at 5.789503 -0.715415 -0.397883 ESP Fit Center 6286 is at 5.767820 -0.301671 -0.397883 ESP Fit Center 6287 is at 5.703007 0.107540 -0.397883 ESP Fit Center 6288 is at 5.595775 0.507735 -0.397883 ESP Fit Center 6289 is at 5.447299 0.894529 -0.397883 ESP Fit Center 6290 is at 5.259205 1.263683 -0.397883 ESP Fit Center 6291 is at 5.033555 1.611155 -0.397883 ESP Fit Center 6292 is at 4.772820 1.933136 -0.397883 ESP Fit Center 6293 is at 4.479857 2.226099 -0.397883 ESP Fit Center 6294 is at 0.608156 -4.479884 -0.397883 ESP Fit Center 6295 is at 1.008351 -4.587116 -0.397883 ESP Fit Center 6296 is at 1.417562 -4.651929 -0.397883 ESP Fit Center 6297 is at 1.831306 -4.673612 -0.397883 ESP Fit Center 6298 is at 2.245050 -4.651929 -0.397883 ESP Fit Center 6299 is at 2.654261 -4.587116 -0.397883 ESP Fit Center 6300 is at 3.054456 -4.479884 -0.397883 ESP Fit Center 6301 is at 3.441250 -4.331408 -0.397883 ESP Fit Center 6302 is at 3.810405 -4.143315 -0.397883 ESP Fit Center 6303 is at 4.157876 -3.917664 -0.397883 ESP Fit Center 6304 is at 4.479857 -3.656929 -0.397883 ESP Fit Center 6305 is at 4.772820 -3.363966 -0.397883 ESP Fit Center 6306 is at 5.033555 -3.041985 -0.397883 ESP Fit Center 6307 is at 5.259205 -2.694514 -0.397883 ESP Fit Center 6308 is at 5.447299 -2.325359 -0.397883 ESP Fit Center 6309 is at 5.595775 -1.938565 -0.397883 ESP Fit Center 6310 is at 5.703007 -1.538371 -0.397883 ESP Fit Center 6311 is at 5.767820 -1.129159 -0.397883 ESP Fit Center 6312 is at 5.724333 -0.715415 -0.809348 ESP Fit Center 6313 is at 5.702279 -0.301612 -0.809348 ESP Fit Center 6314 is at 5.636364 0.107503 -0.809348 ESP Fit Center 6315 is at 5.527337 0.507294 -0.809348 ESP Fit Center 6316 is at 5.376432 0.893231 -0.809348 ESP Fit Center 6317 is at 5.185360 1.260942 -0.809348 ESP Fit Center 6318 is at 4.956284 1.606259 -0.809348 ESP Fit Center 6319 is at 4.691802 1.925271 -0.809348 ESP Fit Center 6320 is at 4.394909 2.214363 -0.809348 ESP Fit Center 6321 is at 0.510640 -4.377587 -0.809348 ESP Fit Center 6322 is at 0.907387 -4.497218 -0.809348 ESP Fit Center 6323 is at 1.314602 -4.574000 -0.809348 ESP Fit Center 6324 is at 1.727672 -4.607063 -0.809348 ESP Fit Center 6325 is at 2.141916 -4.596032 -0.809348 ESP Fit Center 6326 is at 2.552640 -4.541031 -0.809348 ESP Fit Center 6327 is at 2.955192 -4.442686 -0.809348 ESP Fit Center 6328 is at 3.345009 -4.302108 -0.809348 ESP Fit Center 6329 is at 3.717676 -4.120892 -0.809348 ESP Fit Center 6330 is at 4.068969 -3.901090 -0.809348 ESP Fit Center 6331 is at 4.394909 -3.645194 -0.809348 ESP Fit Center 6332 is at 4.691802 -3.356102 -0.809348 ESP Fit Center 6333 is at 4.956284 -3.037090 -0.809348 ESP Fit Center 6334 is at 5.185360 -2.691772 -0.809348 ESP Fit Center 6335 is at 5.376432 -2.324062 -0.809348 ESP Fit Center 6336 is at 5.527337 -1.938124 -0.809348 ESP Fit Center 6337 is at 5.636364 -1.538334 -0.809348 ESP Fit Center 6338 is at 5.702279 -1.129219 -0.809348 ESP Fit Center 6339 is at 5.616511 -0.715415 -1.211747 ESP Fit Center 6340 is at 5.594322 -0.306163 -1.211747 ESP Fit Center 6341 is at 5.528015 0.098292 -1.211747 ESP Fit Center 6342 is at 5.418367 0.493207 -1.211747 ESP Fit Center 6343 is at 5.266665 0.873951 -1.211747 ESP Fit Center 6344 is at 5.074686 1.236062 -1.211747 ESP Fit Center 6345 is at 4.844681 1.575293 -1.211747 ESP Fit Center 6346 is at 4.579348 1.887668 -1.211747 ESP Fit Center 6347 is at 0.430257 -4.231782 -1.211747 ESP Fit Center 6348 is at 0.818656 -4.362649 -1.211747 ESP Fit Center 6349 is at 1.218928 -4.450756 -1.211747 ESP Fit Center 6350 is at 1.626379 -4.495069 -1.211747 ESP Fit Center 6351 is at 2.036233 -4.495069 -1.211747 ESP Fit Center 6352 is at 2.443684 -4.450756 -1.211747 ESP Fit Center 6353 is at 2.843956 -4.362649 -1.211747 ESP Fit Center 6354 is at 3.232355 -4.231782 -1.211747 ESP Fit Center 6355 is at 3.604328 -4.059689 -1.211747 ESP Fit Center 6356 is at 3.955514 -3.848388 -1.211747 ESP Fit Center 6357 is at 4.281796 -3.600355 -1.211747 ESP Fit Center 6358 is at 4.579348 -3.318499 -1.211747 ESP Fit Center 6359 is at 4.844681 -3.006124 -1.211747 ESP Fit Center 6360 is at 5.074686 -2.666892 -1.211747 ESP Fit Center 6361 is at 5.266665 -2.304782 -1.211747 ESP Fit Center 6362 is at 5.418367 -1.924037 -1.211747 ESP Fit Center 6363 is at 5.528015 -1.529122 -1.211747 ESP Fit Center 6364 is at 5.594322 -1.124668 -1.211747 ESP Fit Center 6365 is at 5.467217 -0.715415 -1.600672 ESP Fit Center 6366 is at 5.443517 -0.300953 -1.600672 ESP Fit Center 6367 is at 5.372727 0.108107 -1.600672 ESP Fit Center 6368 is at 5.255768 0.506430 -1.600672 ESP Fit Center 6369 is at 5.094167 0.888825 -1.600672 ESP Fit Center 6370 is at 4.890029 1.250307 -1.600672 ESP Fit Center 6371 is at 4.646016 1.586162 -1.600672 ESP Fit Center 6372 is at 4.365309 1.892012 -1.600672 ESP Fit Center 6373 is at 0.134545 -3.931135 -1.600672 ESP Fit Center 6374 is at 0.512170 -4.103590 -1.600672 ESP Fit Center 6375 is at 0.906991 -4.231875 -1.600672 ESP Fit Center 6376 is at 1.313862 -4.314318 -1.600672 ESP Fit Center 6377 is at 1.727479 -4.349843 -1.600672 ESP Fit Center 6378 is at 2.142449 -4.337989 -1.600672 ESP Fit Center 6379 is at 2.553363 -4.278908 -1.600672 ESP Fit Center 6380 is at 2.954864 -4.173372 -1.600672 ESP Fit Center 6381 is at 3.341718 -4.022756 -1.600672 ESP Fit Center 6382 is at 3.708881 -3.829024 -1.600672 ESP Fit Center 6383 is at 4.051567 -3.594701 -1.600672 ESP Fit Center 6384 is at 4.365309 -3.322843 -1.600672 ESP Fit Center 6385 is at 4.646016 -3.016992 -1.600672 ESP Fit Center 6386 is at 4.890029 -2.681137 -1.600672 ESP Fit Center 6387 is at 5.094167 -2.319656 -1.600672 ESP Fit Center 6388 is at 5.255768 -1.937261 -1.600672 ESP Fit Center 6389 is at 5.372727 -1.538937 -1.600672 ESP Fit Center 6390 is at 5.443517 -1.129878 -1.600672 ESP Fit Center 6391 is at 5.278087 -0.715415 -1.971860 ESP Fit Center 6392 is at 5.252956 -0.299952 -1.971860 ESP Fit Center 6393 is at 5.177930 0.109453 -1.971860 ESP Fit Center 6394 is at 5.054102 0.506830 -1.971860 ESP Fit Center 6395 is at 4.883279 0.886384 -1.971860 ESP Fit Center 6396 is at 4.667951 1.242580 -1.971860 ESP Fit Center 6397 is at 4.411259 1.570223 -1.971860 ESP Fit Center 6398 is at 4.116945 1.864537 -1.971860 ESP Fit Center 6399 is at -0.126689 -3.552060 -1.971860 ESP Fit Center 6400 is at 0.229507 -3.767388 -1.971860 ESP Fit Center 6401 is at 0.609061 -3.938212 -1.971860 ESP Fit Center 6402 is at 1.006437 -4.062039 -1.971860 ESP Fit Center 6403 is at 1.415842 -4.137065 -1.971860 ESP Fit Center 6404 is at 1.831306 -4.162196 -1.971860 ESP Fit Center 6405 is at 2.246770 -4.137065 -1.971860 ESP Fit Center 6406 is at 2.656175 -4.062039 -1.971860 ESP Fit Center 6407 is at 3.053551 -3.938212 -1.971860 ESP Fit Center 6408 is at 3.433105 -3.767388 -1.971860 ESP Fit Center 6409 is at 3.789301 -3.552060 -1.971860 ESP Fit Center 6410 is at 4.116945 -3.295368 -1.971860 ESP Fit Center 6411 is at 4.411259 -3.001054 -1.971860 ESP Fit Center 6412 is at 4.667951 -2.673410 -1.971860 ESP Fit Center 6413 is at 4.883279 -2.317214 -1.971860 ESP Fit Center 6414 is at 5.054102 -1.937661 -1.971860 ESP Fit Center 6415 is at 5.177930 -1.540284 -1.971860 ESP Fit Center 6416 is at 5.252956 -1.130879 -1.971860 ESP Fit Center 6417 is at 5.051194 -0.715415 -2.321245 ESP Fit Center 6418 is at 5.024758 -0.303665 -2.321245 ESP Fit Center 6419 is at 4.945887 0.101324 -2.321245 ESP Fit Center 6420 is at 4.815874 0.492902 -2.321245 ESP Fit Center 6421 is at 4.636854 0.864640 -2.321245 ESP Fit Center 6422 is at 4.411768 1.210433 -2.321245 ESP Fit Center 6423 is at 4.144310 1.524604 -2.321245 ESP Fit Center 6424 is at 3.838873 1.801994 -2.321245 ESP Fit Center 6425 is at -0.010845 -3.356278 -2.321245 ESP Fit Center 6426 is at 0.341985 -3.570165 -2.321245 ESP Fit Center 6427 is at 0.719269 -3.737178 -2.321245 ESP Fit Center 6428 is at 1.114814 -3.854574 -2.321245 ESP Fit Center 6429 is at 1.522123 -3.920424 -2.321245 ESP Fit Center 6430 is at 1.934508 -3.933649 -2.321245 ESP Fit Center 6431 is at 2.345200 -3.894030 -2.321245 ESP Fit Center 6432 is at 2.747453 -3.802218 -2.321245 ESP Fit Center 6433 is at 3.134663 -3.659721 -2.321245 ESP Fit Center 6434 is at 3.500472 -3.468879 -2.321245 ESP Fit Center 6435 is at 3.838873 -3.232825 -2.321245 ESP Fit Center 6436 is at 4.144310 -2.955435 -2.321245 ESP Fit Center 6437 is at 4.411768 -2.641264 -2.321245 ESP Fit Center 6438 is at 4.636854 -2.295471 -2.321245 ESP Fit Center 6439 is at 4.815874 -1.923733 -2.321245 ESP Fit Center 6440 is at 4.945887 -1.532154 -2.321245 ESP Fit Center 6441 is at 5.024758 -1.127165 -2.321245 ESP Fit Center 6442 is at 4.789022 -0.715415 -2.645000 ESP Fit Center 6443 is at 4.760238 -0.303781 -2.645000 ESP Fit Center 6444 is at 4.674446 0.099842 -2.645000 ESP Fit Center 6445 is at 4.533314 0.487596 -2.645000 ESP Fit Center 6446 is at 4.339592 0.851936 -2.645000 ESP Fit Center 6447 is at 4.097048 1.185768 -2.645000 ESP Fit Center 6448 is at 3.810405 1.482596 -2.645000 ESP Fit Center 6449 is at -0.296297 -2.770018 -2.645000 ESP Fit Center 6450 is at 0.010354 -3.046128 -2.645000 ESP Fit Center 6451 is at 0.352448 -3.276873 -2.645000 ESP Fit Center 6452 is at 0.723326 -3.457762 -2.645000 ESP Fit Center 6453 is at 1.115770 -3.585275 -2.645000 ESP Fit Center 6454 is at 1.522140 -3.656929 -2.645000 ESP Fit Center 6455 is at 1.934529 -3.671330 -2.645000 ESP Fit Center 6456 is at 2.344908 -3.628197 -2.645000 ESP Fit Center 6457 is at 2.745291 -3.528371 -2.645000 ESP Fit Center 6458 is at 3.127884 -3.373793 -2.645000 ESP Fit Center 6459 is at 3.485240 -3.167473 -2.645000 ESP Fit Center 6460 is at 3.810405 -2.913427 -2.645000 ESP Fit Center 6461 is at 4.097048 -2.616599 -2.645000 ESP Fit Center 6462 is at 4.339592 -2.282766 -2.645000 ESP Fit Center 6463 is at 4.533314 -1.918427 -2.645000 ESP Fit Center 6464 is at 4.674446 -1.530672 -2.645000 ESP Fit Center 6465 is at 4.760238 -1.127050 -2.645000 ESP Fit Center 6466 is at 4.494446 -0.715415 -2.939576 ESP Fit Center 6467 is at 4.461658 -0.298808 -2.939576 ESP Fit Center 6468 is at 4.364102 0.107540 -2.939576 ESP Fit Center 6469 is at 4.204181 0.493625 -2.939576 ESP Fit Center 6470 is at 3.985831 0.849939 -2.939576 ESP Fit Center 6471 is at 3.714430 1.167709 -2.939576 ESP Fit Center 6472 is at 3.396660 1.439110 -2.939576 ESP Fit Center 6473 is at -0.799046 -1.132022 -2.939576 ESP Fit Center 6474 is at -0.701490 -1.538371 -2.939576 ESP Fit Center 6475 is at -0.541569 -1.924455 -2.939576 ESP Fit Center 6476 is at -0.323219 -2.280770 -2.939576 ESP Fit Center 6477 is at -0.051818 -2.598539 -2.939576 ESP Fit Center 6478 is at 0.265952 -2.869941 -2.939576 ESP Fit Center 6479 is at 0.622266 -3.088290 -2.939576 ESP Fit Center 6480 is at 1.008351 -3.248212 -2.939576 ESP Fit Center 6481 is at 1.414699 -3.345767 -2.939576 ESP Fit Center 6482 is at 1.831306 -3.378555 -2.939576 ESP Fit Center 6483 is at 2.247913 -3.345767 -2.939576 ESP Fit Center 6484 is at 2.654261 -3.248212 -2.939576 ESP Fit Center 6485 is at 3.040346 -3.088290 -2.939576 ESP Fit Center 6486 is at 3.396660 -2.869941 -2.939576 ESP Fit Center 6487 is at 3.714430 -2.598539 -2.939576 ESP Fit Center 6488 is at 3.985831 -2.280770 -2.939576 ESP Fit Center 6489 is at 4.204181 -1.924455 -2.939576 ESP Fit Center 6490 is at 4.364102 -1.538371 -2.939576 ESP Fit Center 6491 is at 4.461658 -1.132022 -2.939576 ESP Fit Center 6492 is at 4.170691 -0.715415 -3.201747 ESP Fit Center 6493 is at 4.133096 -0.297702 -3.201747 ESP Fit Center 6494 is at 4.021520 0.106586 -3.201747 ESP Fit Center 6495 is at 3.839549 0.484454 -3.201747 ESP Fit Center 6496 is at 3.593030 0.823757 -3.201747 ESP Fit Center 6497 is at 3.289889 1.113590 -3.201747 ESP Fit Center 6498 is at 2.939867 1.344637 -3.201747 ESP Fit Center 6499 is at -0.061296 0.659641 -3.201747 ESP Fit Center 6500 is at -0.276407 0.299606 -3.201747 ESP Fit Center 6501 is at -0.423775 -0.093053 -3.201747 ESP Fit Center 6502 is at -0.498662 -0.505714 -3.201747 ESP Fit Center 6503 is at -0.498662 -0.925116 -3.201747 ESP Fit Center 6504 is at -0.423775 -1.337778 -3.201747 ESP Fit Center 6505 is at -0.276407 -1.730436 -3.201747 ESP Fit Center 6506 is at -0.061296 -2.090471 -3.201747 ESP Fit Center 6507 is at 0.214644 -2.406311 -3.201747 ESP Fit Center 6508 is at 0.542546 -2.667804 -3.201747 ESP Fit Center 6509 is at 0.911869 -2.866545 -3.201747 ESP Fit Center 6510 is at 1.310744 -2.996147 -3.201747 ESP Fit Center 6511 is at 1.726350 -3.052445 -3.201747 ESP Fit Center 6512 is at 2.145329 -3.033629 -3.201747 ESP Fit Center 6513 is at 2.554216 -2.940303 -3.201747 ESP Fit Center 6514 is at 2.939867 -2.775467 -3.201747 ESP Fit Center 6515 is at 3.289889 -2.544420 -3.201747 ESP Fit Center 6516 is at 3.593030 -2.254587 -3.201747 ESP Fit Center 6517 is at 3.839549 -1.915284 -3.201747 ESP Fit Center 6518 is at 4.021520 -1.537416 -3.201747 ESP Fit Center 6519 is at 4.133096 -1.133129 -3.201747 ESP Fit Center 6520 is at 3.821306 -0.715415 -3.428641 ESP Fit Center 6521 is at 3.777820 -0.301671 -3.428641 ESP Fit Center 6522 is at 3.649261 0.093991 -3.428641 ESP Fit Center 6523 is at 3.441250 0.454277 -3.428641 ESP Fit Center 6524 is at 3.162876 0.763443 -3.428641 ESP Fit Center 6525 is at 2.826306 1.007975 -3.428641 ESP Fit Center 6526 is at 2.446250 1.177187 -3.428641 ESP Fit Center 6527 is at 0.499736 0.763443 -3.428641 ESP Fit Center 6528 is at 0.221362 0.454277 -3.428641 ESP Fit Center 6529 is at 0.013351 0.093991 -3.428641 ESP Fit Center 6530 is at -0.115208 -0.301671 -3.428641 ESP Fit Center 6531 is at -0.158694 -0.715415 -3.428641 ESP Fit Center 6532 is at -0.115208 -1.129159 -3.428641 ESP Fit Center 6533 is at 0.013351 -1.524821 -3.428641 ESP Fit Center 6534 is at 0.221362 -1.885108 -3.428641 ESP Fit Center 6535 is at 0.499736 -2.194273 -3.428641 ESP Fit Center 6536 is at 0.836306 -2.438806 -3.428641 ESP Fit Center 6537 is at 1.216362 -2.608018 -3.428641 ESP Fit Center 6538 is at 1.623294 -2.694514 -3.428641 ESP Fit Center 6539 is at 2.039318 -2.694514 -3.428641 ESP Fit Center 6540 is at 2.446250 -2.608018 -3.428641 ESP Fit Center 6541 is at 2.826306 -2.438806 -3.428641 ESP Fit Center 6542 is at 3.162876 -2.194273 -3.428641 ESP Fit Center 6543 is at 3.441250 -1.885108 -3.428641 ESP Fit Center 6544 is at 3.649261 -1.524821 -3.428641 ESP Fit Center 6545 is at 3.777820 -1.129159 -3.428641 ESP Fit Center 6546 is at 3.450118 -0.715415 -3.617771 ESP Fit Center 6547 is at 3.394958 -0.296436 -3.617771 ESP Fit Center 6548 is at 3.233238 0.093991 -3.617771 ESP Fit Center 6549 is at 2.975979 0.429258 -3.617771 ESP Fit Center 6550 is at 2.640712 0.686517 -3.617771 ESP Fit Center 6551 is at 2.250285 0.848237 -3.617771 ESP Fit Center 6552 is at 1.831306 0.903397 -3.617771 ESP Fit Center 6553 is at 1.412327 0.848237 -3.617771 ESP Fit Center 6554 is at 1.021900 0.686517 -3.617771 ESP Fit Center 6555 is at 0.686633 0.429258 -3.617771 ESP Fit Center 6556 is at 0.429374 0.093991 -3.617771 ESP Fit Center 6557 is at 0.267654 -0.296436 -3.617771 ESP Fit Center 6558 is at 0.212494 -0.715415 -3.617771 ESP Fit Center 6559 is at 0.267654 -1.134395 -3.617771 ESP Fit Center 6560 is at 0.429374 -1.524821 -3.617771 ESP Fit Center 6561 is at 0.686633 -1.860088 -3.617771 ESP Fit Center 6562 is at 1.021900 -2.117347 -3.617771 ESP Fit Center 6563 is at 1.412327 -2.279067 -3.617771 ESP Fit Center 6564 is at 1.831306 -2.334227 -3.617771 ESP Fit Center 6565 is at 2.250285 -2.279067 -3.617771 ESP Fit Center 6566 is at 2.640712 -2.117347 -3.617771 ESP Fit Center 6567 is at 2.975979 -1.860088 -3.617771 ESP Fit Center 6568 is at 3.233238 -1.524821 -3.617771 ESP Fit Center 6569 is at 3.394958 -1.134395 -3.617771 ESP Fit Center 6570 is at 3.061194 -0.715415 -3.767065 ESP Fit Center 6571 is at 2.987022 -0.294769 -3.767065 ESP Fit Center 6572 is at 2.773455 0.075141 -3.767065 ESP Fit Center 6573 is at 2.446250 0.349699 -3.767065 ESP Fit Center 6574 is at 2.044874 0.495788 -3.767065 ESP Fit Center 6575 is at 1.617738 0.495788 -3.767065 ESP Fit Center 6576 is at 1.216362 0.349699 -3.767065 ESP Fit Center 6577 is at 0.889157 0.075141 -3.767065 ESP Fit Center 6578 is at 0.675590 -0.294769 -3.767065 ESP Fit Center 6579 is at 0.601418 -0.715415 -3.767065 ESP Fit Center 6580 is at 0.675590 -1.136062 -3.767065 ESP Fit Center 6581 is at 0.889157 -1.505972 -3.767065 ESP Fit Center 6582 is at 1.216362 -1.780529 -3.767065 ESP Fit Center 6583 is at 1.617738 -1.926618 -3.767065 ESP Fit Center 6584 is at 2.044874 -1.926618 -3.767065 ESP Fit Center 6585 is at 2.446250 -1.780529 -3.767065 ESP Fit Center 6586 is at 2.773455 -1.505972 -3.767065 ESP Fit Center 6587 is at 2.987022 -1.136062 -3.767065 ESP Fit Center 6588 is at 2.658795 -0.715415 -3.874887 ESP Fit Center 6589 is at 2.547932 -0.301671 -3.874887 ESP Fit Center 6590 is at 2.245050 0.001211 -3.874887 ESP Fit Center 6591 is at 1.831306 0.112073 -3.874887 ESP Fit Center 6592 is at 1.417562 0.001211 -3.874887 ESP Fit Center 6593 is at 1.114680 -0.301671 -3.874887 ESP Fit Center 6594 is at 1.003817 -0.715415 -3.874887 ESP Fit Center 6595 is at 1.114680 -1.129159 -3.874887 ESP Fit Center 6596 is at 1.417562 -1.432041 -3.874887 ESP Fit Center 6597 is at 1.831306 -1.542904 -3.874887 ESP Fit Center 6598 is at 2.245050 -1.432041 -3.874887 ESP Fit Center 6599 is at 2.547932 -1.129159 -3.874887 ESP Fit Center 6600 is at 2.247329 -0.715415 -3.940057 ESP Fit Center 6601 is at 2.039318 -0.355128 -3.940057 ESP Fit Center 6602 is at 1.623294 -0.355128 -3.940057 ESP Fit Center 6603 is at 1.415283 -0.715415 -3.940057 ESP Fit Center 6604 is at 1.623294 -1.075702 -3.940057 ESP Fit Center 6605 is at 2.039318 -1.075702 -3.940057 ESP Fit Center 6606 is at 1.831306 -0.715415 -3.961860 ESP Fit Center 6607 is at -0.880567 -3.706010 2.257010 ESP Fit Center 6608 is at -0.463811 -3.706010 2.257010 ESP Fit Center 6609 is at -0.072189 -3.563471 2.257010 ESP Fit Center 6610 is at -1.188805 -3.977857 2.017055 ESP Fit Center 6611 is at -0.777466 -4.063334 2.017055 ESP Fit Center 6612 is at -0.358320 -4.034664 2.017055 ESP Fit Center 6613 is at 0.037549 -3.893972 2.017055 ESP Fit Center 6614 is at -1.591443 -4.116434 1.721239 ESP Fit Center 6615 is at -1.199479 -4.285511 1.721239 ESP Fit Center 6616 is at -0.779089 -4.359637 1.721239 ESP Fit Center 6617 is at -0.352936 -4.334816 1.721239 ESP Fit Center 6618 is at 0.056006 -4.212387 1.721239 ESP Fit Center 6619 is at -1.587531 -4.390292 1.378549 ESP Fit Center 6620 is at -1.193161 -4.536351 1.378549 ESP Fit Center 6621 is at -0.777462 -4.600034 1.378549 ESP Fit Center 6622 is at -0.357452 -4.578733 1.378549 ESP Fit Center 6623 is at 0.049671 -4.473322 1.378549 ESP Fit Center 6624 is at 0.427242 -4.288114 1.378549 ESP Fit Center 6625 is at -1.409813 -4.655465 0.999397 ESP Fit Center 6626 is at -0.993146 -4.756547 0.999397 ESP Fit Center 6627 is at -0.564879 -4.776948 0.999397 ESP Fit Center 6628 is at -0.140491 -4.715930 0.999397 ESP Fit Center 6629 is at 0.264681 -4.575699 0.999397 ESP Fit Center 6630 is at -1.601119 -4.697580 0.595304 ESP Fit Center 6631 is at -1.198126 -4.828520 0.595304 ESP Fit Center 6632 is at -0.778229 -4.885399 0.595304 ESP Fit Center 6633 is at -0.354924 -4.866389 0.595304 ESP Fit Center 6634 is at 0.058184 -4.772099 0.595304 ESP Fit Center 6635 is at 0.447818 -4.605562 0.595304 ESP Fit Center 6636 is at -1.493038 -4.779503 0.178549 ESP Fit Center 6637 is at -1.088945 -4.887779 0.178549 ESP Fit Center 6638 is at -0.672189 -4.924240 0.178549 ESP Fit Center 6639 is at -0.255434 -4.887779 0.178549 ESP Fit Center 6640 is at 0.148659 -4.779503 0.178549 ESP Fit Center 6641 is at 0.527811 -4.602701 0.178549 ESP Fit Center 6642 is at -1.601119 -4.697580 -0.238207 ESP Fit Center 6643 is at -1.198126 -4.828520 -0.238207 ESP Fit Center 6644 is at -0.778229 -4.885399 -0.238207 ESP Fit Center 6645 is at -0.354924 -4.866389 -0.238207 ESP Fit Center 6646 is at 0.058184 -4.772099 -0.238207 ESP Fit Center 6647 is at 0.447818 -4.605562 -0.238207 ESP Fit Center 6648 is at -1.409813 -4.655465 -0.642300 ESP Fit Center 6649 is at -0.993146 -4.756547 -0.642300 ESP Fit Center 6650 is at -0.564879 -4.776948 -0.642300 ESP Fit Center 6651 is at -0.140491 -4.715930 -0.642300 ESP Fit Center 6652 is at 0.264681 -4.575699 -0.642300 ESP Fit Center 6653 is at -1.587531 -4.390292 -1.021451 ESP Fit Center 6654 is at -1.193161 -4.536351 -1.021451 ESP Fit Center 6655 is at -0.777462 -4.600034 -1.021451 ESP Fit Center 6656 is at -0.357452 -4.578733 -1.021451 ESP Fit Center 6657 is at 0.049671 -4.473322 -1.021451 ESP Fit Center 6658 is at -1.199479 -4.285511 -1.364142 ESP Fit Center 6659 is at -0.779089 -4.359637 -1.364142 ESP Fit Center 6660 is at -0.352936 -4.334816 -1.364142 ESP Fit Center 6661 is at 0.056006 -4.212387 -1.364142 ESP Fit Center 6662 is at -0.777466 -4.063334 -1.659958 ESP Fit Center 6663 is at -0.358320 -4.034664 -1.659958 ESP Fit Center 6664 is at 0.037549 -3.893972 -1.659958 ESP Fit Center 6665 is at 1.735002 2.238131 3.842804 ESP Fit Center 6666 is at 1.526625 1.877211 3.842804 ESP Fit Center 6667 is at 2.139095 2.238131 3.734527 ESP Fit Center 6668 is at 2.029122 2.648556 3.734527 ESP Fit Center 6669 is at 1.318247 1.417283 3.734527 ESP Fit Center 6670 is at 1.728671 1.527256 3.734527 ESP Fit Center 6671 is at 2.029122 1.827707 3.734527 ESP Fit Center 6672 is at 2.518247 2.238131 3.557726 ESP Fit Center 6673 is at 2.445878 2.648556 3.557726 ESP Fit Center 6674 is at 2.237500 3.009477 3.557726 ESP Fit Center 6675 is at 1.109869 1.056362 3.557726 ESP Fit Center 6676 is at 1.918247 1.198901 3.557726 ESP Fit Center 6677 is at 2.237500 1.466786 3.557726 ESP Fit Center 6678 is at 2.445878 1.827707 3.557726 ESP Fit Center 6679 is at 2.860937 2.238131 3.317772 ESP Fit Center 6680 is at 2.803730 2.654344 3.317772 ESP Fit Center 6681 is at 2.636351 3.039689 3.317772 ESP Fit Center 6682 is at 2.371215 3.365585 3.317772 ESP Fit Center 6683 is at 2.636351 1.436574 3.317772 ESP Fit Center 6684 is at 2.803730 1.821919 3.317772 ESP Fit Center 6685 is at 3.156754 2.238131 3.021955 ESP Fit Center 6686 is at 3.107196 2.662120 3.021955 ESP Fit Center 6687 is at 2.961196 3.063252 3.021955 ESP Fit Center 6688 is at 2.726625 3.419901 3.021955 ESP Fit Center 6689 is at 2.416127 3.712840 3.021955 ESP Fit Center 6690 is at 3.107196 1.814143 3.021955 ESP Fit Center 6691 is at 3.396708 2.238131 2.679265 ESP Fit Center 6692 is at 3.354162 2.656523 2.679265 ESP Fit Center 6693 is at 3.228265 3.057785 2.679265 ESP Fit Center 6694 is at 3.024172 3.425490 2.679265 ESP Fit Center 6695 is at 2.750238 3.744585 2.679265 ESP Fit Center 6696 is at 3.573509 2.238131 2.300113 ESP Fit Center 6697 is at 3.532754 2.664943 2.300113 ESP Fit Center 6698 is at 3.411960 3.076328 2.300113 ESP Fit Center 6699 is at 3.215494 3.457418 2.300113 ESP Fit Center 6700 is at 2.950457 3.794441 2.300113 ESP Fit Center 6701 is at 3.643802 2.660158 1.896021 ESP Fit Center 6702 is at 3.531074 3.068619 1.896021 ESP Fit Center 6703 is at 3.347224 3.450389 1.896021 ESP Fit Center 6704 is at 3.098160 3.793195 1.896021 ESP Fit Center 6705 is at 3.681785 2.654887 1.479265 ESP Fit Center 6706 is at 3.573509 3.058980 1.479265 ESP Fit Center 6707 is at 3.396708 3.438131 1.479265 ESP Fit Center 6708 is at 3.156754 3.780822 1.479265 ESP Fit Center 6709 is at 3.531074 3.068619 1.062509 ESP Fit Center 6710 is at 3.347224 3.450389 1.062509 ESP Fit Center 6711 is at 3.736627 2.813439 0.611377 ESP Fit Center 6712 is at 3.590628 3.214570 0.611377 ESP Fit Center 6713 is at 3.356056 3.571220 0.611377 ESP Fit Center 6714 is at 3.983593 2.807841 0.268687 ESP Fit Center 6715 is at 3.857696 3.209103 0.268687 ESP Fit Center 6716 is at 3.653603 3.576809 0.268687 ESP Fit Center 6717 is at 3.379669 3.895904 0.268687 ESP Fit Center 6718 is at 3.047109 4.153324 0.268687 ESP Fit Center 6719 is at 4.162185 2.816261 -0.110465 ESP Fit Center 6720 is at 4.041391 3.227647 -0.110465 ESP Fit Center 6721 is at 3.844925 3.608737 -0.110465 ESP Fit Center 6722 is at 3.579888 3.945759 -0.110465 ESP Fit Center 6723 is at 3.255858 4.226533 -0.110465 ESP Fit Center 6724 is at 2.884548 4.440909 -0.110465 ESP Fit Center 6725 is at 2.479376 4.581140 -0.110465 ESP Fit Center 6726 is at 4.311217 2.389450 -0.514558 ESP Fit Center 6727 is at 4.273234 2.811476 -0.514558 ESP Fit Center 6728 is at 4.160505 3.219938 -0.514558 ESP Fit Center 6729 is at 3.976655 3.601707 -0.514558 ESP Fit Center 6730 is at 3.727591 3.944514 -0.514558 ESP Fit Center 6731 is at 3.421320 4.237339 -0.514558 ESP Fit Center 6732 is at 3.067685 4.470772 -0.514558 ESP Fit Center 6733 is at 2.678052 4.637309 -0.514558 ESP Fit Center 6734 is at 2.264943 4.731598 -0.514558 ESP Fit Center 6735 is at 4.347678 2.389450 -0.931313 ESP Fit Center 6736 is at 4.311217 2.806206 -0.931313 ESP Fit Center 6737 is at 4.202940 3.210299 -0.931313 ESP Fit Center 6738 is at 4.026139 3.589450 -0.931313 ESP Fit Center 6739 is at 3.786185 3.932140 -0.931313 ESP Fit Center 6740 is at 3.490368 4.227957 -0.931313 ESP Fit Center 6741 is at 3.147678 4.467911 -0.931313 ESP Fit Center 6742 is at 2.768526 4.644712 -0.931313 ESP Fit Center 6743 is at 2.364434 4.752989 -0.931313 ESP Fit Center 6744 is at 1.947678 4.789450 -0.931313 ESP Fit Center 6745 is at 1.530922 4.752989 -0.931313 ESP Fit Center 6746 is at 4.311217 2.389450 -1.348069 ESP Fit Center 6747 is at 4.273234 2.811476 -1.348069 ESP Fit Center 6748 is at 4.160505 3.219938 -1.348069 ESP Fit Center 6749 is at 3.976655 3.601707 -1.348069 ESP Fit Center 6750 is at 3.727591 3.944514 -1.348069 ESP Fit Center 6751 is at 3.421320 4.237339 -1.348069 ESP Fit Center 6752 is at 3.067685 4.470772 -1.348069 ESP Fit Center 6753 is at 2.678052 4.637309 -1.348069 ESP Fit Center 6754 is at 2.264943 4.731598 -1.348069 ESP Fit Center 6755 is at 1.841638 4.750609 -1.348069 ESP Fit Center 6756 is at 1.421741 4.693730 -1.348069 ESP Fit Center 6757 is at 4.202940 2.389450 -1.752162 ESP Fit Center 6758 is at 4.162185 2.816261 -1.752162 ESP Fit Center 6759 is at 4.041391 3.227647 -1.752162 ESP Fit Center 6760 is at 3.844925 3.608737 -1.752162 ESP Fit Center 6761 is at 3.579888 3.945759 -1.752162 ESP Fit Center 6762 is at 3.255858 4.226533 -1.752162 ESP Fit Center 6763 is at 2.884548 4.440909 -1.752162 ESP Fit Center 6764 is at 2.479376 4.581140 -1.752162 ESP Fit Center 6765 is at 2.054988 4.642158 -1.752162 ESP Fit Center 6766 is at 1.626721 4.621757 -1.752162 ESP Fit Center 6767 is at 1.210054 4.520675 -1.752162 ESP Fit Center 6768 is at 4.026139 2.389450 -2.131313 ESP Fit Center 6769 is at 3.983593 2.807841 -2.131313 ESP Fit Center 6770 is at 3.857696 3.209103 -2.131313 ESP Fit Center 6771 is at 3.653603 3.576809 -2.131313 ESP Fit Center 6772 is at 3.379669 3.895904 -2.131313 ESP Fit Center 6773 is at 3.047109 4.153324 -2.131313 ESP Fit Center 6774 is at 2.669538 4.338531 -2.131313 ESP Fit Center 6775 is at 2.262415 4.443943 -2.131313 ESP Fit Center 6776 is at 1.842406 4.465243 -2.131313 ESP Fit Center 6777 is at 1.426706 4.401561 -2.131313 ESP Fit Center 6778 is at 1.032336 4.255502 -2.131313 ESP Fit Center 6779 is at 3.983593 1.971059 -2.131313 ESP Fit Center 6780 is at 3.786185 2.389450 -2.474004 ESP Fit Center 6781 is at 3.736627 2.813439 -2.474004 ESP Fit Center 6782 is at 3.590628 3.214570 -2.474004 ESP Fit Center 6783 is at 3.356056 3.571220 -2.474004 ESP Fit Center 6784 is at 3.045558 3.864159 -2.474004 ESP Fit Center 6785 is at 2.675873 4.077597 -2.474004 ESP Fit Center 6786 is at 2.266931 4.200026 -2.474004 ESP Fit Center 6787 is at 1.840778 4.224846 -2.474004 ESP Fit Center 6788 is at 1.420388 4.150720 -2.474004 ESP Fit Center 6789 is at 1.028425 3.981644 -2.474004 ESP Fit Center 6790 is at 3.736627 1.965461 -2.474004 ESP Fit Center 6791 is at 3.490368 2.389450 -2.769820 ESP Fit Center 6792 is at 3.433161 2.805663 -2.769820 ESP Fit Center 6793 is at 3.265782 3.191007 -2.769820 ESP Fit Center 6794 is at 3.000646 3.516904 -2.769820 ESP Fit Center 6795 is at 2.657416 3.759182 -2.769820 ESP Fit Center 6796 is at 2.261548 3.899874 -2.769820 ESP Fit Center 6797 is at 1.842401 3.928544 -2.769820 ESP Fit Center 6798 is at 1.431062 3.843067 -2.769820 ESP Fit Center 6799 is at 1.058039 3.649782 -2.769820 ESP Fit Center 6800 is at 3.433161 1.973237 -2.769820 ESP Fit Center 6801 is at 3.147678 2.389450 -3.009774 ESP Fit Center 6802 is at 3.075309 2.799874 -3.009774 ESP Fit Center 6803 is at 2.866931 3.160795 -3.009774 ESP Fit Center 6804 is at 2.547678 3.428681 -3.009774 ESP Fit Center 6805 is at 2.156056 3.571220 -3.009774 ESP Fit Center 6806 is at 1.739300 3.571220 -3.009774 ESP Fit Center 6807 is at 1.347678 3.428681 -3.009774 ESP Fit Center 6808 is at 3.075309 1.979026 -3.009774 ESP Fit Center 6809 is at 2.768526 2.389450 -3.186576 ESP Fit Center 6810 is at 2.658553 2.799874 -3.186576 ESP Fit Center 6811 is at 2.358102 3.100326 -3.186576 ESP Fit Center 6812 is at 1.947678 3.210299 -3.186576 ESP Fit Center 6813 is at 1.537254 3.100326 -3.186576 ESP Fit Center 6814 is at 2.364434 2.389450 -3.294852 ESP Fit Center 6815 is at 2.156056 2.750371 -3.294852 ESP Fit Center 6816 is at 1.739300 2.750371 -3.294852 Entering OneElI... OneElI was handed 2147373506 working-precision words. Calculate electrostatic properties NBasis = 110 MinDer = 0 MaxDer = 0 NGrid = 6816 NMatD = 1 Requested accuracy = 0.1000D-05 ShPair: Thresh= 1.00D-06 NBox= 0 BxSize= 0.00D+00 RnKept= 1.19D+01 NSMCal= 741 NSMKep= 631 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 4300896 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 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs PRISM was handed 178826340 working-precision words and 631 shell-pairs IPart= 7 NShTot= 327168 NBatch= 339 AvBLen= 965.1 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 5 NShTot= 361248 NBatch= 369 AvBLen= 979.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 354432 NBatch= 366 AvBLen= 968.4 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 449856 NBatch= 508 AvBLen= 885.5 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 299904 NBatch= 300 AvBLen= 999.7 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 299904 NBatch= 300 AvBLen= 999.7 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 306720 NBatch= 316 AvBLen= 970.6 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 306720 NBatch= 316 AvBLen= 970.6 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 368064 NBatch= 376 AvBLen= 978.9 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 388512 NBatch= 402 AvBLen= 966.4 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 408960 NBatch= 431 AvBLen= 948.9 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 429408 NBatch= 449 AvBLen= 956.4 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 6797 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00294 RRMS= 0.12507: ESP charges: 1 1 C 0.283724 2 C -0.263288 3 O -0.714018 4 O -0.751619 5 C 1.032325 6 N -0.847053 7 C 0.852027 8 O -0.746895 9 N 0.206714 10 C -0.201643 11 C -0.335335 12 H 0.066110 13 H 0.097377 14 H 0.076889 15 H 0.453439 16 I 0.065677 17 H 0.139102 18 H 0.091415 19 H 0.495054 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.349834 2 C 0.002392 3 O -0.218965 4 O -0.751619 5 C 1.032325 6 N -0.393614 7 C 0.852027 8 O -0.746895 9 N 0.206714 10 C -0.201643 11 C -0.196233 16 I 0.065677 Charge= -0.00000 Dipole= 5.0619 4.5617 0.2840 Tot= 6.8200 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -3.041086 2 Atom -3.179419 3 Atom -6.605125 4 Atom -6.659639 5 Atom -3.012248 6 Atom -4.686731 7 Atom -2.960171 8 Atom -6.645685 9 Atom -4.662359 10 Atom -3.044979 11 Atom -3.165713 12 Atom -1.059524 13 Atom -1.070580 14 Atom -1.074623 15 Atom -0.952199 16 Atom -3.381584 17 Atom -1.066776 18 Atom -1.075101 19 Atom -0.900044 20 Fit 0.070575 21 Fit 0.019786 22 Fit 0.018540 23 Fit 0.023033 24 Fit 0.023091 25 Fit 0.023609 26 Fit 0.023181 27 Fit 0.023174 28 Fit 0.024618 29 Fit 0.024175 30 Fit 0.023662 31 Fit 0.023122 32 Fit 0.026289 33 Fit 0.026375 34 Fit 0.022595 35 Fit 0.025295 36 Fit 0.028832 37 Fit 0.020721 38 Fit 0.030368 39 Fit 0.028194 40 Fit 0.031968 41 Fit 0.037524 42 Fit 0.011693 43 Fit 0.003878 44 Fit -0.003629 45 Fit 0.053687 46 Fit 0.008169 47 Fit -0.003670 48 Fit 0.014187 49 Fit 0.000836 50 Fit 0.037281 51 Fit 0.009075 52 Fit 0.005719 53 Fit -0.000975 54 Fit 0.002518 55 Fit 0.010280 56 Fit 0.031628 57 Fit 0.025421 58 Fit 0.011986 59 Fit 0.003317 60 Fit -0.005347 61 Fit -0.013054 62 Fit -0.017428 63 Fit -0.005493 64 Fit 0.001197 65 Fit 0.014245 66 Fit 0.018516 67 Fit 0.012423 68 Fit 0.005205 69 Fit -0.003072 70 Fit -0.011660 71 Fit -0.018867 72 Fit -0.022748 73 Fit -0.020895 74 Fit -0.012189 75 Fit -0.005823 76 Fit 0.002922 77 Fit 0.000142 78 Fit -0.008732 79 Fit -0.016759 80 Fit -0.016403 81 Fit -0.009455 82 Fit -0.035989 83 Fit -0.027541 84 Fit -0.020849 85 Fit -0.030088 86 Fit -0.042874 87 Fit -0.047521 88 Fit -0.041216 89 Fit -0.023365 90 Fit -0.037573 91 Fit -0.048333 92 Fit -0.054370 93 Fit -0.056114 94 Fit -0.053546 95 Fit -0.045770 96 Fit -0.032837 97 Fit -0.020755 98 Fit -0.036047 99 Fit -0.048087 100 Fit -0.055924 101 Fit -0.060267 102 Fit -0.062129 103 Fit -0.061793 104 Fit -0.058560 105 Fit -0.051236 106 Fit -0.039146 107 Fit -0.023157 108 Fit -0.016051 109 Fit -0.032841 110 Fit -0.046333 111 Fit -0.055533 112 Fit -0.061116 113 Fit -0.064270 114 Fit -0.065953 115 Fit -0.066525 116 Fit -0.065643 117 Fit -0.062395 118 Fit -0.055627 119 Fit -0.044417 120 Fit -0.028730 121 Fit -0.023602 122 Fit -0.041334 123 Fit -0.053358 124 Fit -0.060680 125 Fit -0.064821 126 Fit -0.067138 127 Fit -0.068526 128 Fit -0.069270 129 Fit -0.069031 130 Fit -0.066943 131 Fit -0.061804 132 Fit -0.052309 133 Fit -0.037341 134 Fit -0.033349 135 Fit -0.048987 136 Fit -0.058550 137 Fit -0.064026 138 Fit -0.067036 139 Fit -0.068774 140 Fit -0.069957 141 Fit -0.070782 142 Fit -0.070947 143 Fit -0.069717 144 Fit -0.066037 145 Fit -0.058629 146 Fit -0.046010 147 Fit -0.018702 148 Fit -0.041035 149 Fit -0.054359 150 Fit -0.061994 151 Fit -0.066148 152 Fit -0.068389 153 Fit -0.069760 154 Fit -0.070796 155 Fit -0.071521 156 Fit -0.071489 157 Fit -0.069862 158 Fit -0.065502 159 Fit -0.057009 160 Fit -0.042540 161 Fit -0.015492 162 Fit -0.039513 163 Fit -0.053551 164 Fit -0.061528 165 Fit -0.065849 166 Fit -0.068159 167 Fit -0.069538 168 Fit -0.070540 169 Fit -0.071199 170 Fit -0.071080 171 Fit -0.069354 172 Fit -0.064892 173 Fit -0.056311 174 Fit -0.041806 175 Fit -0.027405 176 Fit -0.045842 177 Fit -0.056747 178 Fit -0.062897 179 Fit -0.066222 180 Fit -0.068054 181 Fit -0.069181 182 Fit -0.069844 183 Fit -0.069774 184 Fit -0.068261 185 Fit -0.064278 186 Fit -0.056585 187 Fit -0.043769 188 Fit -0.011703 189 Fit -0.034787 190 Fit -0.049572 191 Fit -0.058323 192 Fit -0.063159 193 Fit -0.065725 194 Fit -0.067068 195 Fit -0.067562 196 Fit -0.066931 197 Fit -0.064362 198 Fit -0.058705 199 Fit -0.048715 200 Fit -0.033348 201 Fit -0.022953 202 Fit -0.040063 203 Fit -0.051461 204 Fit -0.058219 205 Fit -0.061865 206 Fit -0.063577 207 Fit -0.063854 208 Fit -0.062456 209 Fit -0.058549 210 Fit -0.051042 211 Fit -0.039045 212 Fit -0.022404 213 Fit -0.008732 214 Fit -0.027027 215 Fit -0.041859 216 Fit -0.051452 217 Fit -0.056577 218 Fit -0.058498 219 Fit -0.057717 220 Fit -0.053701 221 Fit -0.045358 222 Fit -0.031978 223 Fit -0.028900 224 Fit -0.041887 225 Fit -0.049074 226 Fit -0.050900 227 Fit -0.047623 228 Fit -0.038560 229 Fit -0.023670 230 Fit -0.019773 231 Fit -0.035053 232 Fit -0.040475 233 Fit -0.032919 234 Fit -0.026644 235 Fit 0.009223 236 Fit 0.013278 237 Fit 0.018477 238 Fit 0.013627 239 Fit 0.002808 240 Fit -0.003106 241 Fit 0.003879 242 Fit 0.022361 243 Fit 0.026942 244 Fit 0.023423 245 Fit 0.015805 246 Fit 0.007155 247 Fit -0.005028 248 Fit -0.012606 249 Fit -0.001097 250 Fit 0.037735 251 Fit -0.004780 252 Fit -0.006659 253 Fit -0.005697 254 Fit -0.009590 255 Fit -0.011662 256 Fit -0.000892 257 Fit 0.027576 258 Fit 0.003064 259 Fit -0.005325 260 Fit -0.007945 261 Fit -0.002874 262 Fit 0.005020 263 Fit 0.011591 264 Fit 0.017936 265 Fit 0.022197 266 Fit 0.016722 267 Fit 0.009144 268 Fit 0.005147 269 Fit 0.010127 270 Fit 0.014493 271 Fit 0.014309 272 Fit 0.022942 273 Fit 0.019817 274 Fit 0.012380 275 Fit 0.008971 276 Fit 0.011250 277 Fit 0.018902 278 Fit 0.033893 279 Fit 0.034133 280 Fit 0.028974 281 Fit 0.019384 282 Fit 0.012089 283 Fit 0.009272 284 Fit 0.007747 285 Fit 0.006224 286 Fit 0.046507 287 Fit 0.015170 288 Fit 0.011411 289 Fit 0.012089 290 Fit 0.012390 291 Fit 0.009335 292 Fit 0.003965 293 Fit 0.009665 294 Fit 0.012232 295 Fit 0.000974 296 Fit 0.006756 297 Fit -0.003500 298 Fit 0.006734 299 Fit 0.006530 300 Fit -0.000537 301 Fit 0.008113 302 Fit 0.011169 303 Fit 0.012849 304 Fit 0.010503 305 Fit 0.005950 306 Fit 0.003877 307 Fit 0.038275 308 Fit 0.031655 309 Fit 0.010571 310 Fit 0.008509 311 Fit 0.007392 312 Fit 0.005690 313 Fit 0.006717 314 Fit 0.012740 315 Fit 0.020283 316 Fit 0.026359 317 Fit 0.020607 318 Fit 0.019012 319 Fit 0.011329 320 Fit 0.007609 321 Fit 0.008568 322 Fit 0.014893 323 Fit 0.012253 324 Fit 0.034975 325 Fit 0.040899 326 Fit 0.035780 327 Fit 0.027486 328 Fit 0.027584 329 Fit 0.033093 330 Fit 0.039914 331 Fit 0.023308 332 Fit 0.015250 333 Fit 0.016178 334 Fit 0.020339 335 Fit 0.045002 336 Fit 0.003062 337 Fit 0.012229 338 Fit 0.002733 339 Fit -0.000614 340 Fit 0.039340 341 Fit 0.027366 342 Fit 0.017284 343 Fit 0.000273 344 Fit 0.010416 345 Fit 0.017966 346 Fit 0.024061 347 Fit 0.030786 348 Fit 0.033556 349 Fit 0.027104 350 Fit 0.019519 351 Fit 0.011821 352 Fit 0.016431 353 Fit 0.024399 354 Fit 0.028936 355 Fit 0.022442 356 Fit -0.002535 357 Fit 0.009881 358 Fit -0.008682 359 Fit -0.018491 360 Fit -0.012475 361 Fit -0.013686 362 Fit -0.025735 363 Fit -0.030696 364 Fit -0.028993 365 Fit -0.020186 366 Fit -0.004879 367 Fit -0.020546 368 Fit -0.031659 369 Fit -0.037779 370 Fit -0.039945 371 Fit -0.038112 372 Fit -0.031349 373 Fit -0.018810 374 Fit -0.001506 375 Fit -0.025969 376 Fit -0.035787 377 Fit -0.041857 378 Fit -0.045234 379 Fit -0.046327 380 Fit -0.044799 381 Fit -0.039652 382 Fit -0.029571 383 Fit -0.013706 384 Fit -0.021055 385 Fit -0.033481 386 Fit -0.041413 387 Fit -0.046354 388 Fit -0.049277 389 Fit -0.050556 390 Fit -0.049879 391 Fit -0.046277 392 Fit -0.038224 393 Fit -0.023821 394 Fit -0.001240 395 Fit -0.012693 396 Fit -0.028445 397 Fit -0.038585 398 Fit -0.045030 399 Fit -0.049111 400 Fit -0.051684 401 Fit -0.053071 402 Fit -0.053028 403 Fit -0.050749 404 Fit -0.044897 405 Fit -0.033554 406 Fit -0.013943 407 Fit -0.025905 408 Fit -0.037493 409 Fit -0.044721 410 Fit -0.049242 411 Fit -0.052148 412 Fit -0.053978 413 Fit -0.054699 414 Fit -0.053723 415 Fit -0.049924 416 Fit -0.041603 417 Fit -0.026223 418 Fit -0.025144 419 Fit -0.037420 420 Fit -0.044883 421 Fit -0.049486 422 Fit -0.052431 423 Fit -0.054304 424 Fit -0.055104 425 Fit -0.054266 426 Fit -0.050701 427 Fit -0.042790 428 Fit -0.028211 429 Fit -0.027265 430 Fit -0.038833 431 Fit -0.045760 432 Fit -0.050008 433 Fit -0.052682 434 Fit -0.054226 435 Fit -0.054470 436 Fit -0.052690 437 Fit -0.047684 438 Fit -0.037838 439 Fit -0.021177 440 Fit -0.034288 441 Fit -0.043049 442 Fit -0.048240 443 Fit -0.051305 444 Fit -0.052843 445 Fit -0.052686 446 Fit -0.050009 447 Fit -0.043534 448 Fit -0.031860 449 Fit -0.014190 450 Fit -0.028734 451 Fit -0.039140 452 Fit -0.045334 453 Fit -0.048807 454 Fit -0.050231 455 Fit -0.049452 456 Fit -0.045658 457 Fit -0.037781 458 Fit -0.025233 459 Fit -0.009039 460 Fit -0.012099 461 Fit -0.027532 462 Fit -0.037780 463 Fit -0.043562 464 Fit -0.045899 465 Fit -0.044933 466 Fit -0.039918 467 Fit -0.030086 468 Fit -0.015997 469 Fit 0.002388 470 Fit -0.011378 471 Fit -0.025279 472 Fit -0.035017 473 Fit -0.039416 474 Fit -0.038506 475 Fit -0.031824 476 Fit -0.019643 477 Fit -0.004436 478 Fit -0.009822 479 Fit -0.023284 480 Fit -0.030822 481 Fit -0.026370 482 Fit -0.012829 483 Fit -0.003716 484 Fit -0.019144 485 Fit 0.036543 486 Fit 0.037037 487 Fit 0.039029 488 Fit 0.036242 489 Fit 0.034556 490 Fit 0.043790 491 Fit 0.039769 492 Fit 0.038188 493 Fit 0.009363 494 Fit 0.028590 495 Fit 0.032560 496 Fit 0.027898 497 Fit 0.022440 498 Fit 0.018122 499 Fit 0.013113 500 Fit 0.015622 501 Fit 0.021153 502 Fit 0.024271 503 Fit 0.025316 504 Fit 0.022461 505 Fit 0.017503 506 Fit 0.019933 507 Fit 0.018434 508 Fit 0.025230 509 Fit 0.025815 510 Fit 0.019949 511 Fit 0.011891 512 Fit 0.033667 513 Fit 0.033333 514 Fit 0.031816 515 Fit 0.025612 516 Fit 0.041047 517 Fit 0.025954 518 Fit 0.017086 519 Fit 0.008073 520 Fit 0.005105 521 Fit 0.014670 522 Fit 0.018880 523 Fit 0.018248 524 Fit 0.011534 525 Fit 0.009818 526 Fit 0.014054 527 Fit 0.003104 528 Fit 0.001187 529 Fit 0.006043 530 Fit 0.009887 531 Fit 0.007123 532 Fit 0.001440 533 Fit -0.000363 534 Fit 0.001626 535 Fit 0.006195 536 Fit 0.011877 537 Fit 0.017221 538 Fit 0.020291 539 Fit 0.019320 540 Fit 0.004628 541 Fit -0.000321 542 Fit -0.001030 543 Fit -0.000782 544 Fit -0.000495 545 Fit 0.033201 546 Fit -0.003423 547 Fit -0.002395 548 Fit 0.000505 549 Fit 0.001347 550 Fit 0.001425 551 Fit -0.007767 552 Fit -0.009049 553 Fit -0.005321 554 Fit -0.002676 555 Fit 0.001689 556 Fit 0.000590 557 Fit -0.002302 558 Fit -0.002378 559 Fit -0.002020 560 Fit -0.001457 561 Fit 0.002089 562 Fit 0.027591 563 Fit 0.009113 564 Fit 0.001399 565 Fit -0.001948 566 Fit -0.002783 567 Fit -0.001756 568 Fit 0.001661 569 Fit 0.008748 570 Fit 0.014050 571 Fit 0.010656 572 Fit 0.002803 573 Fit -0.000683 574 Fit 0.004750 575 Fit 0.011978 576 Fit -0.010729 577 Fit 0.036374 578 Fit 0.024185 579 Fit 0.009282 580 Fit -0.011483 581 Fit 0.073170 582 Fit 0.057843 583 Fit 0.046728 584 Fit 0.036935 585 Fit 0.026796 586 Fit 0.014823 587 Fit -0.000924 588 Fit 0.064000 589 Fit 0.051715 590 Fit 0.042141 591 Fit 0.033353 592 Fit 0.024001 593 Fit 0.012874 594 Fit -0.001315 595 Fit -0.019313 596 Fit 0.060863 597 Fit 0.051066 598 Fit 0.042397 599 Fit 0.034343 600 Fit 0.025962 601 Fit 0.016407 602 Fit 0.005188 603 Fit -0.006803 604 Fit 0.047526 605 Fit 0.045497 606 Fit 0.039697 607 Fit 0.032872 608 Fit 0.025350 609 Fit 0.017091 610 Fit 0.008996 611 Fit 0.004328 612 Fit 0.008004 613 Fit 0.018988 614 Fit 0.027319 615 Fit 0.031083 616 Fit 0.036634 617 Fit 0.034829 618 Fit 0.029446 619 Fit 0.022826 620 Fit 0.017044 621 Fit 0.015583 622 Fit 0.019696 623 Fit 0.023651 624 Fit 0.022866 625 Fit 0.019142 626 Fit 0.021159 627 Fit 0.027932 628 Fit 0.029451 629 Fit 0.024764 630 Fit 0.021627 631 Fit 0.023061 632 Fit 0.023744 633 Fit 0.025288 634 Fit 0.025486 635 Fit 0.024397 636 Fit 0.027048 637 Fit 0.026233 638 Fit 0.024955 639 Fit 0.023346 640 Fit 0.022715 641 Fit 0.028958 642 Fit 0.028427 643 Fit 0.027641 644 Fit 0.026306 645 Fit 0.024396 646 Fit 0.022176 647 Fit 0.020506 648 Fit 0.031619 649 Fit 0.030999 650 Fit 0.030297 651 Fit 0.029229 652 Fit 0.027660 653 Fit 0.025531 654 Fit 0.022891 655 Fit 0.020008 656 Fit 0.017676 657 Fit 0.035470 658 Fit 0.034351 659 Fit 0.033311 660 Fit 0.032115 661 Fit 0.030611 662 Fit 0.028676 663 Fit 0.026224 664 Fit 0.023223 665 Fit 0.019753 666 Fit 0.016171 667 Fit 0.013553 668 Fit 0.040997 669 Fit 0.038698 670 Fit 0.036781 671 Fit 0.034993 672 Fit 0.033113 673 Fit 0.030953 674 Fit 0.028360 675 Fit 0.025218 676 Fit 0.021463 677 Fit 0.017164 678 Fit 0.012769 679 Fit 0.054655 680 Fit 0.048435 681 Fit 0.043884 682 Fit 0.040475 683 Fit 0.037685 684 Fit 0.035088 685 Fit 0.032364 686 Fit 0.029275 687 Fit 0.025645 688 Fit 0.021378 689 Fit 0.016580 690 Fit 0.012029 691 Fit 0.068944 692 Fit 0.056713 693 Fit 0.048801 694 Fit 0.043474 695 Fit 0.039461 696 Fit 0.035947 697 Fit 0.032425 698 Fit 0.028610 699 Fit 0.024446 700 Fit 0.020389 701 Fit 0.063134 702 Fit 0.052055 703 Fit 0.045158 704 Fit 0.040233 705 Fit 0.036176 706 Fit 0.032688 707 Fit 0.030526 708 Fit 0.064528 709 Fit 0.052503 710 Fit 0.045718 711 Fit 0.042292 712 Fit 0.061340 713 Fit 0.022209 714 Fit 0.022180 715 Fit 0.021872 716 Fit 0.021572 717 Fit 0.022155 718 Fit 0.022895 719 Fit 0.022562 720 Fit 0.022622 721 Fit 0.022575 722 Fit 0.022053 723 Fit 0.021196 724 Fit 0.020521 725 Fit 0.020592 726 Fit 0.021668 727 Fit 0.023182 728 Fit 0.023976 729 Fit 0.023639 730 Fit 0.022863 731 Fit 0.022515 732 Fit 0.022957 733 Fit 0.021368 734 Fit 0.019811 735 Fit 0.018704 736 Fit 0.018456 737 Fit 0.019457 738 Fit 0.021648 739 Fit 0.024106 740 Fit 0.025582 741 Fit 0.025606 742 Fit 0.024690 743 Fit 0.023663 744 Fit 0.023372 745 Fit 0.022085 746 Fit 0.019291 747 Fit 0.017017 748 Fit 0.015485 749 Fit 0.015145 750 Fit 0.016600 751 Fit 0.019984 752 Fit 0.024249 753 Fit 0.027560 754 Fit 0.028780 755 Fit 0.028252 756 Fit 0.027021 757 Fit 0.025812 758 Fit 0.018490 759 Fit 0.014702 760 Fit 0.011754 761 Fit 0.009976 762 Fit 0.010359 763 Fit 0.013995 764 Fit 0.020707 765 Fit 0.028071 766 Fit 0.032898 767 Fit 0.034022 768 Fit 0.032916 769 Fit 0.031647 770 Fit 0.030785 771 Fit 0.014355 772 Fit 0.008851 773 Fit 0.004292 774 Fit 0.001767 775 Fit 0.003854 776 Fit 0.012865 777 Fit 0.026970 778 Fit 0.043674 779 Fit 0.002271 780 Fit -0.005512 781 Fit 0.016750 782 Fit 0.018308 783 Fit 0.021009 784 Fit 0.020254 785 Fit 0.015193 786 Fit 0.008583 787 Fit 0.013530 788 Fit 0.019194 789 Fit 0.023467 790 Fit 0.024343 791 Fit 0.021213 792 Fit 0.013796 793 Fit 0.002878 794 Fit 0.003574 795 Fit 0.013764 796 Fit 0.021729 797 Fit 0.026039 798 Fit 0.026708 799 Fit 0.023655 800 Fit 0.016370 801 Fit 0.003894 802 Fit 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elap: 0.1 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2626. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.029930120 0.014074088 -0.010401211 2 6 -0.002806879 0.010982232 0.019724624 3 8 0.100402197 -0.042246157 -0.004926823 4 8 -0.004404478 0.002271170 -0.001878982 5 6 -0.003942381 0.008630796 -0.001831258 6 7 0.018260371 0.034182665 -0.009824933 7 6 -0.027707039 0.008621533 -0.009207622 8 8 0.035630432 0.012900697 0.000751121 9 7 0.025106984 -0.030857672 0.011900529 10 6 0.001519018 -0.017051992 0.004201684 11 6 -0.005035141 0.006228970 -0.003152782 12 1 -0.008414600 0.008701165 0.003851691 13 1 -0.000189789 -0.000470617 -0.003851951 14 1 0.002735966 -0.000982005 -0.001937080 15 1 -0.001147684 -0.024278697 0.008359744 16 53 -0.067736885 -0.016229209 0.013803854 17 1 -0.032076195 -0.016120490 0.002070738 18 1 0.000150861 0.003567463 0.002398611 19 1 -0.060274877 0.038076059 -0.020049955 ------------------------------------------------------------------- Cartesian Forces: Max 0.100402197 RMS 0.023874441 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.157118074 RMS 0.034225979 Search for a local minimum. Step number 1 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00442 0.00495 0.01457 0.01458 0.01685 Eigenvalues --- 0.01840 0.01930 0.02007 0.02042 0.02223 Eigenvalues --- 0.02351 0.02561 0.04627 0.05333 0.05487 Eigenvalues --- 0.05791 0.08400 0.14010 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.17855 Eigenvalues --- 0.19628 0.23436 0.23472 0.24998 0.24999 Eigenvalues --- 0.24999 0.25000 0.25000 0.29935 0.33400 Eigenvalues --- 0.34827 0.34848 0.34857 0.34875 0.37691 Eigenvalues --- 0.39864 0.42717 0.42761 0.42796 0.44986 Eigenvalues --- 0.47472 0.49870 0.50506 0.56357 0.88874 Eigenvalues --- 0.96818 RFO step: Lambda=-2.19798874D-01 EMin= 4.41522180D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.464 Iteration 1 RMS(Cart)= 0.14431367 RMS(Int)= 0.00798636 Iteration 2 RMS(Cart)= 0.01428833 RMS(Int)= 0.00032392 Iteration 3 RMS(Cart)= 0.00015169 RMS(Int)= 0.00031425 Iteration 4 RMS(Cart)= 0.00000008 RMS(Int)= 0.00031425 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88094 0.01722 0.00000 0.01539 0.01539 2.89633 R2 2.67922 -0.00203 0.00000 -0.00146 -0.00146 2.67776 R3 2.81655 0.02675 0.00000 0.02241 0.02241 2.83896 R4 2.05878 -0.00693 0.00000 -0.00566 -0.00566 2.05312 R5 2.05923 -0.00069 0.00000 -0.00057 -0.00057 2.05866 R6 2.05957 -0.00234 0.00000 -0.00191 -0.00191 2.05766 R7 2.05907 -0.00131 0.00000 -0.00107 -0.00107 2.05800 R8 1.98439 -0.07386 0.00000 -0.05542 -0.05542 1.92898 R9 2.33457 0.00519 0.00000 0.00217 0.00217 2.33674 R10 2.60496 0.00383 0.00000 0.00030 0.00019 2.60514 R11 2.73213 0.01350 0.00000 0.00929 0.00923 2.74136 R12 2.61800 -0.00718 0.00000 -0.00610 -0.00615 2.61185 R13 1.94665 -0.02554 0.00000 -0.01831 -0.01831 1.92834 R14 2.29941 0.03777 0.00000 0.01475 0.01475 2.31416 R15 2.58430 0.03377 0.00000 0.02233 0.02240 2.60670 R16 2.59444 0.11203 0.00000 0.07395 0.07406 2.66849 R17 2.52704 0.03698 0.00000 0.02264 0.02269 2.54973 R18 3.96803 0.02857 0.00000 0.03683 0.03683 4.00486 R19 1.94721 0.03571 0.00000 0.02561 0.02561 1.97282 A1 1.87530 0.01146 0.00000 0.01830 0.01828 1.89358 A2 1.99050 -0.02052 0.00000 -0.01954 -0.02000 1.97050 A3 1.94471 0.00752 0.00000 0.00508 0.00485 1.94955 A4 1.88895 0.02868 0.00000 0.03882 0.03895 1.92790 A5 1.87496 -0.01797 0.00000 -0.02494 -0.02474 1.85022 A6 1.88544 -0.00842 0.00000 -0.01692 -0.01688 1.86856 A7 1.96287 -0.00648 0.00000 -0.00818 -0.00818 1.95469 A8 1.96292 -0.00064 0.00000 -0.00098 -0.00100 1.96192 A9 1.88714 0.00638 0.00000 0.00825 0.00826 1.89540 A10 1.87478 0.00181 0.00000 0.00143 0.00141 1.87619 A11 1.88659 0.00076 0.00000 0.00128 0.00130 1.88789 A12 1.88688 -0.00172 0.00000 -0.00161 -0.00161 1.88527 A13 1.91134 0.00913 0.00000 0.01115 0.01115 1.92249 A14 2.10628 -0.00108 0.00000 0.00152 0.00161 2.10788 A15 2.19306 -0.00318 0.00000 -0.00056 -0.00047 2.19259 A16 1.98381 0.00424 0.00000 -0.00100 -0.00117 1.98263 A17 2.20968 0.00280 0.00000 -0.00263 -0.00277 2.20691 A18 2.03658 0.00139 0.00000 0.00472 0.00479 2.04137 A19 2.03693 -0.00419 0.00000 -0.00209 -0.00202 2.03491 A20 2.12273 -0.01239 0.00000 -0.01194 -0.01196 2.11077 A21 2.01158 0.03136 0.00000 0.03037 0.03041 2.04199 A22 2.14885 -0.01898 0.00000 -0.01845 -0.01847 2.13038 A23 2.04638 -0.12426 0.00000 -0.12497 -0.12507 1.92132 A24 2.10265 0.15712 0.00000 0.15294 0.15285 2.25550 A25 2.13412 -0.03287 0.00000 -0.02799 -0.02781 2.10631 A26 2.11272 -0.02523 0.00000 -0.01998 -0.01989 2.09283 A27 2.08484 0.13842 0.00000 0.13424 0.13404 2.21888 A28 2.08563 -0.11319 0.00000 -0.11426 -0.11439 1.97124 A29 2.11442 0.01967 0.00000 0.02117 0.02115 2.13558 A30 2.01581 -0.00572 0.00000 -0.00556 -0.00556 2.01025 A31 2.15294 -0.01393 0.00000 -0.01558 -0.01558 2.13736 D1 1.62814 -0.01366 0.00000 -0.02174 -0.02168 1.60646 D2 -2.53565 -0.01654 0.00000 -0.02663 -0.02655 -2.56221 D3 -0.45356 -0.01486 0.00000 -0.02379 -0.02371 -0.47727 D4 -2.56146 0.01769 0.00000 0.02773 0.02768 -2.53378 D5 -0.44206 0.01481 0.00000 0.02284 0.02280 -0.41926 D6 1.64003 0.01649 0.00000 0.02568 0.02564 1.66567 D7 -0.42127 -0.00304 0.00000 -0.00546 -0.00549 -0.42676 D8 1.69813 -0.00592 0.00000 -0.01034 -0.01036 1.68776 D9 -2.50297 -0.00425 0.00000 -0.00751 -0.00752 -2.51049 D10 -1.04731 -0.00385 0.00000 -0.00085 -0.00038 -1.04769 D11 3.07886 -0.00304 0.00000 -0.01140 -0.01188 3.06698 D12 1.04702 0.00149 0.00000 0.00153 0.00155 1.04857 D13 1.50432 0.00105 0.00000 0.00546 0.00549 1.50981 D14 -1.62901 0.00297 0.00000 0.00909 0.00940 -1.61962 D15 -2.69297 0.02263 0.00000 0.04339 0.04328 -2.64968 D16 0.45688 0.02455 0.00000 0.04703 0.04719 0.50407 D17 -0.66793 0.01209 0.00000 0.02548 0.02515 -0.64278 D18 2.48192 0.01401 0.00000 0.02912 0.02906 2.51098 D19 3.13740 -0.00068 0.00000 -0.00136 -0.00117 3.13622 D20 -0.00443 -0.00061 0.00000 -0.00117 -0.00105 -0.00548 D21 0.00499 0.00153 0.00000 0.00295 0.00287 0.00786 D22 -3.13684 0.00160 0.00000 0.00315 0.00299 -3.13384 D23 -3.14011 0.00007 0.00000 0.00004 0.00011 -3.14000 D24 0.00750 -0.00239 0.00000 -0.00462 -0.00439 0.00311 D25 -0.00824 -0.00225 0.00000 -0.00451 -0.00415 -0.01239 D26 3.13937 -0.00471 0.00000 -0.00917 -0.00865 3.13072 D27 3.13693 -0.00016 0.00000 -0.00019 -0.00019 3.13674 D28 0.00277 0.00145 0.00000 0.00285 0.00268 0.00545 D29 -0.00443 -0.00024 0.00000 -0.00039 -0.00032 -0.00475 D30 -3.13858 0.00138 0.00000 0.00265 0.00255 -3.13604 D31 -3.14117 -0.00271 0.00000 -0.00464 -0.00454 3.13747 D32 -0.00799 -0.00371 0.00000 -0.00744 -0.00708 -0.01508 D33 0.00799 -0.00110 0.00000 -0.00158 -0.00168 0.00631 D34 3.14117 -0.00210 0.00000 -0.00438 -0.00422 3.13695 D35 3.13786 0.00068 0.00000 0.00189 0.00131 3.13916 D36 -0.00327 0.01282 0.00000 0.02483 0.02579 0.02253 D37 0.00495 0.00307 0.00000 0.00612 0.00591 0.01086 D38 -3.13618 0.01521 0.00000 0.02906 0.03040 -3.10578 D39 0.00377 -0.00002 0.00000 0.00020 -0.00011 0.00366 D40 3.13886 0.00268 0.00000 0.00529 0.00476 -3.13956 D41 -3.13829 -0.01210 0.00000 -0.02269 -0.02125 3.12365 D42 -0.00320 -0.00940 0.00000 -0.01760 -0.01637 -0.01957 Item Value Threshold Converged? Maximum Force 0.157118 0.000450 NO RMS Force 0.034226 0.000300 NO Maximum Displacement 0.974749 0.001800 NO RMS Displacement 0.154169 0.001200 NO Predicted change in Energy=-8.954235D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.993638 -5.045615 2.038011 2 6 0 7.391350 -4.802097 3.498012 3 8 0 6.860453 -6.441711 1.835293 4 8 0 2.742611 -1.848703 0.455131 5 6 0 3.617495 -2.640315 0.825238 6 7 0 4.944140 -2.266067 0.846239 7 6 0 6.012072 -3.049342 1.241572 8 8 0 7.156264 -2.613730 1.214879 9 7 0 5.727612 -4.335584 1.650743 10 6 0 4.396432 -4.806108 1.675394 11 6 0 3.389695 -3.997572 1.283921 12 1 0 7.767363 -4.715454 1.350442 13 1 0 8.472474 -4.757556 3.624404 14 1 0 6.977218 -3.875336 3.892014 15 1 0 5.162138 -1.317386 0.540021 16 53 0 3.724185 -6.709898 2.319620 17 1 0 2.391549 -4.303458 1.287783 18 1 0 7.012329 -5.624471 4.103046 19 1 0 7.744982 -6.911597 2.032237 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.532670 0.000000 3 O 1.417010 2.394749 0.000000 4 O 5.549504 6.292252 6.321171 0.000000 5 C 4.319101 5.104802 5.097804 1.236548 0.000000 6 N 3.653307 4.410463 4.699626 2.274619 1.378583 7 C 2.362815 3.172708 3.546890 3.570630 2.464678 8 O 2.572559 3.171263 3.889197 4.543437 3.560255 9 N 1.502313 2.529438 2.398575 4.065009 2.829839 10 C 2.633313 3.505922 2.961785 3.601445 2.453602 11 C 3.828244 4.643565 4.280653 2.392331 1.450665 12 H 1.086466 2.181960 2.009360 5.853886 4.669416 13 H 2.187824 1.089398 2.938691 7.164988 5.990731 14 H 2.192521 1.088865 3.290899 5.818187 4.713611 15 H 4.415662 5.085500 5.551641 2.478632 2.053634 16 I 3.679465 4.298419 3.184757 5.298209 4.336596 17 H 4.721532 5.489241 4.984275 2.615794 2.117294 18 H 2.144712 1.089046 2.415295 6.767141 5.583378 19 H 2.011576 2.592980 1.020770 7.289985 6.061093 6 7 8 9 10 6 N 0.000000 7 C 1.382131 0.000000 8 O 2.269418 1.224600 0.000000 9 N 2.354560 1.379405 2.279431 0.000000 10 C 2.727506 2.425845 3.554612 1.412106 0.000000 11 C 2.367694 2.788870 4.013331 2.390537 1.349259 12 H 3.771512 2.422567 2.192958 2.096442 3.387771 13 H 5.135646 3.827462 3.483419 3.407002 4.518309 14 H 3.999987 2.939152 2.964922 2.607036 3.527066 15 H 1.020436 2.052860 2.472344 3.265423 3.747874 16 I 4.838055 4.449302 5.456941 3.177811 2.119283 17 H 3.295701 3.831857 5.055987 3.355904 2.102963 18 H 5.114985 3.977415 4.174540 3.053770 3.661438 19 H 5.552680 4.306407 4.414331 3.294110 3.971551 11 12 13 14 15 11 C 0.000000 12 H 4.436638 0.000000 13 H 5.647130 2.381146 0.000000 14 H 4.437050 2.791007 1.756622 0.000000 15 H 3.298233 4.357850 5.683883 4.590587 0.000000 16 I 2.922545 4.611334 5.297202 4.592318 5.857804 17 H 1.043972 5.391943 6.530211 5.290904 4.141490 18 H 4.870086 2.995533 1.764274 1.762169 5.888068 19 H 5.293396 2.299649 2.775632 3.642405 6.339795 16 17 18 19 16 I 0.000000 17 H 2.937952 0.000000 18 H 3.894952 5.569775 0.000000 19 H 4.036097 6.001321 2.545923 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.496039 2.138488 -0.233157 2 6 0 -0.419447 2.830478 1.132259 3 8 0 0.765973 2.254116 -0.867092 4 8 0 -2.693292 -2.946172 0.106404 5 6 0 -2.105859 -1.860567 0.032665 6 7 0 -2.813075 -0.680120 -0.050292 7 6 0 -2.279961 0.592495 -0.131069 8 8 0 -3.006136 1.575690 -0.206194 9 7 0 -0.904457 0.696063 -0.135453 10 6 0 -0.094722 -0.457020 -0.041793 11 6 0 -0.666988 -1.676132 0.040523 12 1 0 -1.208234 2.627499 -0.891985 13 1 0 -0.725861 3.874504 1.078332 14 1 0 -1.044215 2.344112 1.879749 15 1 0 -3.831121 -0.749882 -0.052569 16 53 0 2.022015 -0.531392 0.030671 17 1 0 -0.107035 -2.554244 0.112978 18 1 0 0.611572 2.796781 1.481381 19 1 0 1.006547 3.237885 -0.994735 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8010477 0.4647430 0.3078078 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 378.3340877208 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2617. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.67D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.995164 -0.008019 0.001065 -0.097889 Ang= -11.27 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.377147889 A.U. after 17 cycles NFock= 17 Conv=0.48D-08 -V/T= 2.3613 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2617. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.013980495 -0.003214542 -0.002029329 2 6 -0.003843474 0.007873122 0.013216208 3 8 0.037522528 -0.041141415 0.002762627 4 8 -0.002765730 0.000228688 -0.000960969 5 6 -0.002661461 0.007867272 -0.001971831 6 7 0.014713583 0.023927901 -0.006356280 7 6 -0.023821288 0.009090056 -0.009457488 8 8 0.023289331 0.013661447 0.000382510 9 7 0.009876201 -0.025102198 0.006604707 10 6 0.009012667 -0.001239459 0.002128164 11 6 -0.002514454 0.003678746 -0.002701725 12 1 -0.008988301 0.008044705 0.005642587 13 1 0.000044328 -0.000330852 -0.003229722 14 1 0.002670235 -0.000074333 -0.001765013 15 1 -0.001095857 -0.016407766 0.005567664 16 53 0.008543231 -0.003485729 0.002980275 17 1 -0.020771739 -0.008602475 0.000946474 18 1 -0.001445849 0.001380791 0.001003365 19 1 -0.051744447 0.023846039 -0.012762225 ------------------------------------------------------------------- Cartesian Forces: Max 0.051744447 RMS 0.014110351 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.058277407 RMS 0.010526071 Search for a local minimum. Step number 2 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -3.35D-02 DEPred=-8.95D-02 R= 3.74D-01 Trust test= 3.74D-01 RLast= 3.20D-01 DXMaxT set to 3.00D-01 ITU= 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00442 0.00509 0.01435 0.01457 0.01686 Eigenvalues --- 0.01842 0.01930 0.02008 0.02047 0.02222 Eigenvalues --- 0.02338 0.02539 0.04809 0.05375 0.05436 Eigenvalues --- 0.05758 0.08271 0.14075 0.15977 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16001 0.17864 Eigenvalues --- 0.20027 0.23430 0.23493 0.24963 0.24994 Eigenvalues --- 0.24997 0.24999 0.29871 0.33285 0.34814 Eigenvalues --- 0.34838 0.34848 0.34857 0.37236 0.37976 Eigenvalues --- 0.42245 0.42462 0.42747 0.43561 0.46847 Eigenvalues --- 0.48797 0.50100 0.56107 0.88863 0.96142 Eigenvalues --- 1.20185 RFO step: Lambda=-2.03107836D-02 EMin= 4.41517047D-03 Quartic linear search produced a step of -0.16124. Iteration 1 RMS(Cart)= 0.06818817 RMS(Int)= 0.00244796 Iteration 2 RMS(Cart)= 0.00364434 RMS(Int)= 0.00051092 Iteration 3 RMS(Cart)= 0.00001500 RMS(Int)= 0.00051078 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00051078 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89633 0.00953 -0.00248 0.03296 0.03048 2.92681 R2 2.67776 0.01981 0.00023 0.03614 0.03637 2.71413 R3 2.83896 -0.00751 -0.00361 -0.00576 -0.00937 2.82959 R4 2.05312 -0.00753 0.00091 -0.02010 -0.01918 2.03394 R5 2.05866 -0.00034 0.00009 -0.00108 -0.00099 2.05767 R6 2.05766 -0.00172 0.00031 -0.00492 -0.00462 2.05304 R7 2.05800 0.00002 0.00017 -0.00054 -0.00036 2.05764 R8 1.92898 -0.05828 0.00894 -0.14672 -0.13779 1.79119 R9 2.33674 0.00239 -0.00035 0.00349 0.00314 2.33988 R10 2.60514 0.01638 -0.00003 0.02716 0.02713 2.63227 R11 2.74136 0.01584 -0.00149 0.03813 0.03665 2.77801 R12 2.61185 0.00226 0.00099 0.00026 0.00123 2.61308 R13 1.92834 -0.01716 0.00295 -0.04217 -0.03922 1.88912 R14 2.31416 0.02661 -0.00238 0.03131 0.02893 2.34309 R15 2.60670 0.02494 -0.00361 0.05115 0.04752 2.65422 R16 2.66849 -0.00542 -0.01194 0.03279 0.02086 2.68935 R17 2.54973 0.01699 -0.00366 0.03681 0.03317 2.58290 R18 4.00486 0.00133 -0.00594 0.02220 0.01626 4.02112 R19 1.97282 0.02238 -0.00413 0.05602 0.05189 2.02471 A1 1.89358 0.01522 -0.00295 0.06841 0.06382 1.95740 A2 1.97050 -0.00027 0.00323 -0.02610 -0.02205 1.94845 A3 1.94955 -0.00343 -0.00078 0.00497 0.00205 1.95160 A4 1.92790 -0.01641 -0.00628 -0.06741 -0.07278 1.85512 A5 1.85022 0.00368 0.00399 0.04356 0.04540 1.89562 A6 1.86856 0.00082 0.00272 -0.02185 -0.01878 1.84978 A7 1.95469 -0.00503 0.00132 -0.02948 -0.02822 1.92647 A8 1.96192 -0.00016 0.00016 -0.00280 -0.00281 1.95911 A9 1.89540 0.00254 -0.00133 0.01947 0.01819 1.91359 A10 1.87619 0.00131 -0.00023 -0.00054 -0.00103 1.87515 A11 1.88789 0.00178 -0.00021 0.01175 0.01170 1.89958 A12 1.88527 -0.00024 0.00026 0.00299 0.00319 1.88846 A13 1.92249 0.00672 -0.00180 0.03606 0.03426 1.95675 A14 2.10788 0.00058 -0.00026 0.00141 0.00114 2.10902 A15 2.19259 -0.00320 0.00008 -0.01131 -0.01125 2.18134 A16 1.98263 0.00262 0.00019 0.00994 0.01014 1.99278 A17 2.20691 -0.00002 0.00045 -0.00016 0.00027 2.20718 A18 2.04137 0.00256 -0.00077 0.01339 0.01263 2.05399 A19 2.03491 -0.00254 0.00033 -0.01323 -0.01290 2.02201 A20 2.11077 -0.00394 0.00193 -0.01778 -0.01594 2.09483 A21 2.04199 -0.00110 -0.00490 0.01126 0.00624 2.04822 A22 2.13038 0.00505 0.00298 0.00676 0.00964 2.14003 A23 1.92132 0.02536 0.02017 0.01620 0.03636 1.95768 A24 2.25550 -0.02456 -0.02464 0.00155 -0.02309 2.23240 A25 2.10631 -0.00080 0.00448 -0.01773 -0.01324 2.09307 A26 2.09283 0.00777 0.00321 0.01401 0.01727 2.11010 A27 2.21888 -0.02307 -0.02161 -0.00386 -0.02548 2.19340 A28 1.97124 0.01529 0.01844 -0.01016 0.00827 1.97951 A29 2.13558 -0.00848 -0.00341 -0.01736 -0.02072 2.11486 A30 2.01025 0.00651 0.00090 0.02143 0.02230 2.03255 A31 2.13736 0.00197 0.00251 -0.00407 -0.00158 2.13578 D1 1.60646 0.00731 0.00350 0.03047 0.03435 1.64081 D2 -2.56221 0.00524 0.00428 0.00636 0.01119 -2.55102 D3 -0.47727 0.00653 0.00382 0.02127 0.02565 -0.45163 D4 -2.53378 -0.00288 -0.00446 -0.02389 -0.02878 -2.56257 D5 -0.41926 -0.00495 -0.00368 -0.04801 -0.05195 -0.47121 D6 1.66567 -0.00366 -0.00413 -0.03310 -0.03749 1.62818 D7 -0.42676 -0.00451 0.00089 -0.06730 -0.06671 -0.49347 D8 1.68776 -0.00658 0.00167 -0.09142 -0.08988 1.59789 D9 -2.51049 -0.00529 0.00121 -0.07651 -0.07542 -2.58591 D10 -1.04769 -0.00273 0.00006 -0.04211 -0.04409 -1.09178 D11 3.06698 -0.00192 0.00192 -0.01143 -0.00939 3.05759 D12 1.04857 0.00325 -0.00025 0.02380 0.02547 1.07403 D13 1.50981 -0.00344 -0.00089 -0.02332 -0.02474 1.48508 D14 -1.61962 -0.00354 -0.00152 -0.02579 -0.02787 -1.64749 D15 -2.64968 0.00409 -0.00698 -0.00222 -0.00894 -2.65862 D16 0.50407 0.00399 -0.00761 -0.00468 -0.01208 0.49200 D17 -0.64278 0.00049 -0.00406 0.00269 -0.00103 -0.64380 D18 2.51098 0.00039 -0.00469 0.00023 -0.00417 2.50681 D19 3.13622 0.00030 0.00019 0.00766 0.00780 -3.13917 D20 -0.00548 0.00036 0.00017 0.00811 0.00823 0.00275 D21 0.00786 0.00032 -0.00046 0.00501 0.00450 0.01235 D22 -3.13384 0.00038 -0.00048 0.00546 0.00493 -3.12892 D23 -3.14000 -0.00007 -0.00002 -0.00143 -0.00148 -3.14148 D24 0.00311 -0.00036 0.00071 -0.00584 -0.00520 -0.00209 D25 -0.01239 -0.00005 0.00067 0.00149 0.00210 -0.01029 D26 3.13072 -0.00034 0.00139 -0.00292 -0.00162 3.12910 D27 3.13674 0.00105 0.00003 0.02071 0.02057 -3.12587 D28 0.00545 -0.00015 -0.00043 -0.00480 -0.00518 0.00027 D29 -0.00475 0.00100 0.00005 0.02026 0.02015 0.01540 D30 -3.13604 -0.00021 -0.00041 -0.00525 -0.00561 3.14154 D31 3.13747 -0.00015 0.00073 -0.00389 -0.00313 3.13434 D32 -0.01508 -0.00027 0.00114 -0.00155 -0.00039 -0.01547 D33 0.00631 -0.00131 0.00027 -0.02956 -0.02944 -0.02313 D34 3.13695 -0.00143 0.00068 -0.02722 -0.02670 3.11024 D35 3.13916 0.00073 -0.00021 0.01031 0.01012 -3.13390 D36 0.02253 0.00068 -0.00416 0.01110 0.00675 0.02928 D37 0.01086 0.00049 -0.00095 0.00741 0.00648 0.01734 D38 -3.10578 0.00044 -0.00490 0.00820 0.00312 -3.10267 D39 0.00366 -0.00035 0.00002 -0.00756 -0.00749 -0.00383 D40 -3.13956 -0.00004 -0.00077 -0.00281 -0.00352 3.14010 D41 3.12365 -0.00082 0.00343 -0.00821 -0.00499 3.11865 D42 -0.01957 -0.00051 0.00264 -0.00346 -0.00103 -0.02060 Item Value Threshold Converged? Maximum Force 0.058277 0.000450 NO RMS Force 0.010526 0.000300 NO Maximum Displacement 0.393190 0.001800 NO RMS Displacement 0.067629 0.001200 NO Predicted change in Energy=-1.225533D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.020280 -5.057500 2.046022 2 6 0 7.404401 -4.781060 3.520748 3 8 0 6.768262 -6.450620 1.804068 4 8 0 2.728723 -1.870653 0.443158 5 6 0 3.616999 -2.647203 0.818786 6 7 0 4.950350 -2.245374 0.850162 7 6 0 6.030917 -3.013010 1.244104 8 8 0 7.171493 -2.526743 1.240830 9 7 0 5.770867 -4.330593 1.655333 10 6 0 4.433977 -4.818210 1.672365 11 6 0 3.393169 -4.027130 1.273518 12 1 0 7.783214 -4.723017 1.364475 13 1 0 8.487044 -4.781538 3.637056 14 1 0 7.040166 -3.817890 3.867087 15 1 0 5.160929 -1.311560 0.562051 16 53 0 3.826331 -6.751146 2.322307 17 1 0 2.378205 -4.370359 1.275516 18 1 0 6.981757 -5.554438 4.160173 19 1 0 7.536915 -6.983958 1.956239 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.548801 0.000000 3 O 1.436258 2.477719 0.000000 4 O 5.580558 6.309041 6.256680 0.000000 5 C 4.347179 5.118433 5.036588 1.238209 0.000000 6 N 3.690900 4.425393 4.679619 2.289475 1.392938 7 C 2.408703 3.193050 3.560112 3.584827 2.478248 8 O 2.660062 3.214688 3.984550 4.561243 3.581488 9 N 1.497353 2.520145 2.347644 4.095768 2.858804 10 C 2.624089 3.498759 2.851490 3.620350 2.471704 11 C 3.848943 4.659231 4.188799 2.404450 1.470061 12 H 1.076314 2.190065 2.051336 5.876452 4.686590 13 H 2.181499 1.088873 3.016602 7.199479 6.017920 14 H 2.203022 1.086423 3.355778 5.839826 4.730826 15 H 4.437502 5.081781 5.525945 2.498469 2.057565 16 I 3.625753 4.256770 3.002307 5.343703 4.375700 17 H 4.755492 5.520180 4.886660 2.657858 2.170825 18 H 2.172111 1.088854 2.529813 6.743499 5.562237 19 H 1.996550 2.705181 0.947857 7.180112 5.955416 6 7 8 9 10 6 N 0.000000 7 C 1.382780 0.000000 8 O 2.272722 1.239910 0.000000 9 N 2.381111 1.404551 2.321087 0.000000 10 C 2.749936 2.447932 3.595975 1.423142 0.000000 11 C 2.403893 2.826132 4.065459 2.427204 1.366810 12 H 3.798467 2.451358 2.283223 2.070781 3.364706 13 H 5.167892 3.858298 3.543540 3.392373 4.504298 14 H 3.992740 2.923432 2.929426 2.601123 3.551009 15 H 0.999680 2.029042 2.445358 3.268311 3.749381 16 I 4.871614 4.471732 5.495933 3.175712 2.127886 17 H 3.363394 3.896882 5.135730 3.414087 2.141088 18 H 5.102224 3.983266 4.210166 3.039453 3.636262 19 H 5.510708 4.306227 4.529029 3.201533 3.794637 11 12 13 14 15 11 C 0.000000 12 H 4.445787 0.000000 13 H 5.665951 2.379795 0.000000 14 H 4.480064 2.763050 1.753564 0.000000 15 H 3.317452 4.377020 5.706089 4.553734 0.000000 16 I 2.950907 4.548370 5.227827 4.617259 5.871010 17 H 1.071429 5.417231 6.562305 5.362401 4.196288 18 H 4.852155 3.024817 1.771134 1.762075 5.853539 19 H 5.136105 2.350043 2.928915 3.731231 6.305963 16 17 18 19 16 I 0.000000 17 H 2.976741 0.000000 18 H 3.842731 5.560214 0.000000 19 H 3.735859 5.822935 2.684967 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.397199 2.142803 -0.254304 2 6 0 -0.327729 2.832836 1.130548 3 8 0 0.888902 2.073394 -0.889885 4 8 0 -2.798563 -2.881578 0.108566 5 6 0 -2.180421 -1.811188 0.035590 6 7 0 -2.860257 -0.598510 -0.051091 7 6 0 -2.290674 0.658376 -0.139939 8 8 0 -3.013232 1.664482 -0.195062 9 7 0 -0.888087 0.732475 -0.144446 10 6 0 -0.113975 -0.457182 -0.040522 11 6 0 -0.716136 -1.681277 0.044107 12 1 0 -1.081296 2.643971 -0.917097 13 1 0 -0.550304 3.894582 1.036731 14 1 0 -1.038960 2.412166 1.835886 15 1 0 -3.859581 -0.625133 -0.049690 16 53 0 2.010322 -0.552455 0.038116 17 1 0 -0.156594 -2.591686 0.121759 18 1 0 0.671986 2.718604 1.546630 19 1 0 1.246021 2.933258 -1.067458 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8183090 0.4581839 0.3077341 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 376.9579057353 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2613. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 7.04D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999894 0.004006 0.001109 0.013928 Ang= 1.67 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.387787673 A.U. after 15 cycles NFock= 15 Conv=0.71D-08 -V/T= 2.3647 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2613. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.007617958 -0.005658897 0.003935548 2 6 0.000212175 -0.003143526 0.000443823 3 8 -0.002583106 0.012234591 -0.001329594 4 8 0.002707282 -0.001651267 0.000715118 5 6 -0.004060444 0.000130635 -0.000468312 6 7 0.001343519 -0.004068737 0.000850802 7 6 -0.008035552 0.001255349 0.000009084 8 8 0.003092819 -0.003631939 0.001064619 9 7 -0.003413784 0.001180461 -0.003237988 10 6 0.001760597 0.006523556 -0.002257655 11 6 0.002688111 -0.000802221 0.000114904 12 1 0.001103520 0.003959215 0.000877253 13 1 0.000389001 -0.001284421 -0.000314404 14 1 0.000923752 0.000579443 -0.003160432 15 1 0.001092422 0.002359331 -0.000714960 16 53 0.002137738 -0.000150519 0.002525254 17 1 0.001483893 -0.000100583 0.000320482 18 1 -0.000978505 0.000388203 -0.000006978 19 1 0.007754520 -0.008118674 0.000633437 ------------------------------------------------------------------- Cartesian Forces: Max 0.012234591 RMS 0.003431595 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.010958323 RMS 0.002445731 Search for a local minimum. Step number 3 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 3 DE= -1.06D-02 DEPred=-1.23D-02 R= 8.68D-01 TightC=F SS= 1.41D+00 RLast= 2.92D-01 DXNew= 5.0454D-01 8.7458D-01 Trust test= 8.68D-01 RLast= 2.92D-01 DXMaxT set to 5.05D-01 ITU= 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00441 0.00512 0.01430 0.01457 0.01687 Eigenvalues --- 0.01842 0.01931 0.02022 0.02045 0.02214 Eigenvalues --- 0.02345 0.02541 0.05041 0.05500 0.05539 Eigenvalues --- 0.05718 0.08396 0.14088 0.15627 0.16000 Eigenvalues --- 0.16000 0.16000 0.16001 0.16069 0.18129 Eigenvalues --- 0.19940 0.23401 0.23532 0.24799 0.24996 Eigenvalues --- 0.24998 0.25346 0.30134 0.33276 0.34811 Eigenvalues --- 0.34847 0.34857 0.34922 0.37651 0.41646 Eigenvalues --- 0.42047 0.42737 0.43560 0.45713 0.48391 Eigenvalues --- 0.48737 0.52353 0.57642 0.88972 0.95149 Eigenvalues --- 1.16140 RFO step: Lambda=-5.61768272D-03 EMin= 4.40513899D-03 Quartic linear search produced a step of -0.08505. Iteration 1 RMS(Cart)= 0.14795218 RMS(Int)= 0.00789920 Iteration 2 RMS(Cart)= 0.01282153 RMS(Int)= 0.00025088 Iteration 3 RMS(Cart)= 0.00009455 RMS(Int)= 0.00024367 Iteration 4 RMS(Cart)= 0.00000002 RMS(Int)= 0.00024367 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.92681 -0.00337 -0.00259 -0.00554 -0.00813 2.91868 R2 2.71413 -0.00478 -0.00309 -0.00229 -0.00539 2.70875 R3 2.82959 0.00012 0.00080 -0.00449 -0.00369 2.82590 R4 2.03394 0.00146 0.00163 0.00054 0.00217 2.03611 R5 2.05767 0.00035 0.00008 0.00076 0.00084 2.05851 R6 2.05304 -0.00080 0.00039 -0.00267 -0.00228 2.05076 R7 2.05764 0.00010 0.00003 0.00032 0.00035 2.05799 R8 1.79119 0.01096 0.01172 0.00419 0.01591 1.80710 R9 2.33988 -0.00319 -0.00027 -0.00289 -0.00316 2.33672 R10 2.63227 0.00104 -0.00231 0.00783 0.00549 2.63776 R11 2.77801 -0.00078 -0.00312 0.00487 0.00176 2.77978 R12 2.61308 -0.00272 -0.00010 -0.00356 -0.00372 2.60936 R13 1.88912 0.00264 0.00334 0.00019 0.00353 1.89265 R14 2.34309 0.00142 -0.00246 0.00448 0.00202 2.34511 R15 2.65422 -0.00561 -0.00404 -0.00394 -0.00800 2.64621 R16 2.68935 -0.00872 -0.00177 -0.02262 -0.02434 2.66500 R17 2.58290 -0.00389 -0.00282 -0.00297 -0.00574 2.57716 R18 4.02112 0.00030 -0.00138 0.00304 0.00165 4.02278 R19 2.02471 -0.00137 -0.00441 0.00386 -0.00055 2.02416 A1 1.95740 -0.00057 -0.00543 0.01811 0.01273 1.97013 A2 1.94845 0.00227 0.00188 0.01231 0.01403 1.96248 A3 1.95160 -0.00107 -0.00017 -0.01484 -0.01477 1.93683 A4 1.85512 0.00020 0.00619 -0.00642 -0.00053 1.85459 A5 1.89562 0.00029 -0.00386 0.00777 0.00414 1.89975 A6 1.84978 -0.00112 0.00160 -0.01846 -0.01686 1.83292 A7 1.92647 -0.00028 0.00240 -0.00771 -0.00539 1.92107 A8 1.95911 -0.00363 0.00024 -0.02160 -0.02141 1.93771 A9 1.91359 0.00060 -0.00155 0.00904 0.00752 1.92111 A10 1.87515 0.00146 0.00009 0.00240 0.00233 1.87748 A11 1.89958 0.00029 -0.00099 0.00746 0.00645 1.90604 A12 1.88846 0.00169 -0.00027 0.01137 0.01115 1.89961 A13 1.95675 0.00441 -0.00291 0.02982 0.02691 1.98366 A14 2.10902 -0.00001 -0.00010 -0.00122 -0.00132 2.10770 A15 2.18134 0.00135 0.00096 0.00116 0.00212 2.18346 A16 1.99278 -0.00134 -0.00086 -0.00006 -0.00099 1.99179 A17 2.20718 -0.00150 -0.00002 -0.00369 -0.00381 2.20337 A18 2.05399 0.00127 -0.00107 0.00701 0.00598 2.05997 A19 2.02201 0.00024 0.00110 -0.00332 -0.00217 2.01984 A20 2.09483 0.00510 0.00136 0.01615 0.01740 2.11222 A21 2.04822 0.00070 -0.00053 -0.00024 -0.00101 2.04722 A22 2.14003 -0.00579 -0.00082 -0.01549 -0.01641 2.12362 A23 1.95768 0.00099 -0.00309 0.02610 0.02300 1.98068 A24 2.23240 -0.00221 0.00196 -0.02850 -0.02656 2.20585 A25 2.09307 0.00122 0.00113 0.00238 0.00353 2.09660 A26 2.11010 0.00151 -0.00147 0.00907 0.00724 2.11734 A27 2.19340 -0.00594 0.00217 -0.04033 -0.03857 2.15483 A28 1.97951 0.00440 -0.00070 0.03029 0.02902 2.00853 A29 2.11486 -0.00060 0.00176 -0.00809 -0.00628 2.10857 A30 2.03255 0.00095 -0.00190 0.00964 0.00769 2.04023 A31 2.13578 -0.00035 0.00013 -0.00157 -0.00148 2.13430 D1 1.64081 -0.00121 -0.00292 -0.08812 -0.09120 1.54961 D2 -2.55102 -0.00195 -0.00095 -0.10468 -0.10569 -2.65671 D3 -0.45163 -0.00178 -0.00218 -0.09825 -0.10057 -0.55220 D4 -2.56257 0.00022 0.00245 -0.07551 -0.07302 -2.63558 D5 -0.47121 -0.00052 0.00442 -0.09207 -0.08751 -0.55872 D6 1.62818 -0.00035 0.00319 -0.08564 -0.08238 1.54580 D7 -0.49347 -0.00039 0.00567 -0.10059 -0.09493 -0.58840 D8 1.59789 -0.00113 0.00764 -0.11715 -0.10942 1.48847 D9 -2.58591 -0.00096 0.00641 -0.11072 -0.10429 -2.69020 D10 -1.09178 0.00108 0.00375 -0.01111 -0.00722 -1.09899 D11 3.05759 -0.00152 0.00080 -0.03297 -0.03219 3.02540 D12 1.07403 -0.00046 -0.00217 -0.01212 -0.01441 1.05962 D13 1.48508 0.00162 0.00210 0.19434 0.19651 1.68159 D14 -1.64749 0.00163 0.00237 0.19693 0.19929 -1.44820 D15 -2.65862 0.00241 0.00076 0.21982 0.22059 -2.43803 D16 0.49200 0.00243 0.00103 0.22241 0.22336 0.71536 D17 -0.64380 0.00232 0.00009 0.21724 0.21738 -0.42643 D18 2.50681 0.00234 0.00035 0.21983 0.22015 2.72696 D19 -3.13917 -0.00013 -0.00066 -0.00148 -0.00224 -3.14141 D20 0.00275 -0.00013 -0.00070 -0.00273 -0.00358 -0.00083 D21 0.01235 0.00015 -0.00038 0.01064 0.01026 0.02261 D22 -3.12892 0.00016 -0.00042 0.00939 0.00892 -3.12000 D23 -3.14148 -0.00017 0.00013 -0.00855 -0.00845 3.13326 D24 -0.00209 -0.00040 0.00044 -0.02014 -0.01991 -0.02200 D25 -0.01029 -0.00048 -0.00018 -0.02127 -0.02160 -0.03189 D26 3.12910 -0.00070 0.00014 -0.03286 -0.03306 3.09604 D27 -3.12587 -0.00040 -0.00175 -0.01057 -0.01271 -3.13858 D28 0.00027 0.00054 0.00044 0.01884 0.01937 0.01964 D29 0.01540 -0.00041 -0.00171 -0.00934 -0.01139 0.00400 D30 3.14154 0.00053 0.00048 0.02007 0.02069 -3.12096 D31 3.13434 -0.00092 0.00027 -0.03597 -0.03592 3.09841 D32 -0.01547 -0.00096 0.00003 -0.03852 -0.03869 -0.05416 D33 -0.02313 0.00015 0.00250 -0.00543 -0.00330 -0.02643 D34 3.11024 0.00012 0.00227 -0.00798 -0.00606 3.10418 D35 -3.13390 0.00066 -0.00086 0.02629 0.02560 -3.10830 D36 0.02928 0.00222 -0.00057 0.08492 0.08353 0.11281 D37 0.01734 0.00067 -0.00055 0.02896 0.02847 0.04580 D38 -3.10267 0.00224 -0.00026 0.08760 0.08640 -3.01627 D39 -0.00383 0.00009 0.00064 0.00228 0.00312 -0.00072 D40 3.14010 0.00032 0.00030 0.01455 0.01519 -3.12789 D41 3.11865 -0.00142 0.00042 -0.05043 -0.05101 3.06764 D42 -0.02060 -0.00118 0.00009 -0.03816 -0.03893 -0.05953 Item Value Threshold Converged? Maximum Force 0.010958 0.000450 NO RMS Force 0.002446 0.000300 NO Maximum Displacement 0.661530 0.001800 NO RMS Displacement 0.155296 0.001200 NO Predicted change in Energy=-3.977921D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.030015 -5.007180 2.061738 2 6 0 7.318290 -4.909440 3.575944 3 8 0 6.856926 -6.357618 1.613393 4 8 0 2.713430 -1.928103 0.347809 5 6 0 3.612047 -2.668265 0.764547 6 7 0 4.943965 -2.250875 0.752223 7 6 0 6.032282 -2.980801 1.187450 8 8 0 7.179781 -2.511246 1.134602 9 7 0 5.788007 -4.273000 1.668525 10 6 0 4.466500 -4.757464 1.756520 11 6 0 3.407886 -4.010400 1.330952 12 1 0 7.818751 -4.548533 1.488617 13 1 0 8.390467 -4.974000 3.757278 14 1 0 6.974622 -3.961537 3.977276 15 1 0 5.147567 -1.337228 0.396008 16 53 0 3.953821 -6.609491 2.672373 17 1 0 2.397145 -4.357860 1.401757 18 1 0 6.816107 -5.718113 4.104971 19 1 0 7.636393 -6.900847 1.722015 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.544498 0.000000 3 O 1.433407 2.482273 0.000000 4 O 5.572358 6.365058 6.196036 0.000000 5 C 4.340015 5.163628 4.986090 1.236537 0.000000 6 N 3.696438 4.547394 4.611547 2.289764 1.395841 7 C 2.421996 3.328419 3.502050 3.581612 2.476703 8 O 2.666777 3.425007 3.889480 4.572460 3.590310 9 N 1.495400 2.526869 2.343343 4.086056 2.850816 10 C 2.593671 3.386164 2.880124 3.614278 2.465533 11 C 3.827197 4.597774 4.181516 2.405161 1.470994 12 H 1.077464 2.176614 2.052672 5.850845 4.664337 13 H 2.174117 1.089318 2.976977 7.289082 6.091481 14 H 2.183054 1.085217 3.367937 5.955303 4.827120 15 H 4.448237 5.252117 5.441346 2.505290 2.065260 16 I 3.521824 3.876372 3.100467 5.371923 4.392023 17 H 4.724476 5.408234 4.892184 2.667313 2.176408 18 H 2.173932 1.089040 2.572662 6.731448 5.543104 19 H 2.017196 2.739332 0.956277 7.131072 5.918349 6 7 8 9 10 6 N 0.000000 7 C 1.380814 0.000000 8 O 2.283174 1.240980 0.000000 9 N 2.375080 1.400315 2.307788 0.000000 10 C 2.742184 2.435579 3.576895 1.410259 0.000000 11 C 2.406324 2.822786 4.063645 2.418242 1.363773 12 H 3.753119 2.395821 2.164289 2.057232 3.369423 13 H 5.322043 4.017200 3.795964 3.409851 4.409925 14 H 4.177427 3.103704 3.197848 2.614459 3.443245 15 H 1.001545 2.027420 2.460434 3.263161 3.743375 16 I 4.864657 4.437610 5.437570 3.135465 2.128762 17 H 3.368615 3.893126 5.133708 3.402398 2.137234 18 H 5.173739 4.076663 4.386267 3.013570 3.458138 19 H 5.460028 4.269156 4.452207 3.213249 3.826683 11 12 13 14 15 11 C 0.000000 12 H 4.446366 0.000000 13 H 5.625095 2.377962 0.000000 14 H 4.441511 2.692683 1.754451 0.000000 15 H 3.323621 4.317580 5.919514 4.801104 0.000000 16 I 2.975353 4.537236 4.851358 4.223703 5.865460 17 H 1.071138 5.425652 6.469004 5.267225 4.207203 18 H 4.714598 3.036201 1.775726 1.768330 5.977673 19 H 5.136914 2.370888 2.902355 3.763467 6.237499 16 17 18 19 16 I 0.000000 17 H 3.017871 0.000000 18 H 3.322585 5.355826 0.000000 19 H 3.814368 5.832587 2.783919 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.209203 2.123899 -0.214192 2 6 0 0.259575 2.659192 1.156641 3 8 0 0.862334 1.992226 -1.157126 4 8 0 -3.037483 -2.670420 0.043712 5 6 0 -2.335096 -1.653554 0.002969 6 7 0 -2.915852 -0.384266 0.002164 7 6 0 -2.243570 0.821070 -0.040834 8 8 0 -2.860276 1.897944 -0.034034 9 7 0 -0.845875 0.774610 -0.112767 10 6 0 -0.175902 -0.465700 -0.072795 11 6 0 -0.864293 -1.641689 -0.017610 12 1 0 -0.968972 2.760041 -0.637280 13 1 0 0.230785 3.748114 1.162442 14 1 0 -0.389183 2.310046 1.953452 15 1 0 -3.915043 -0.323872 0.034759 16 53 0 1.941168 -0.652853 0.048101 17 1 0 -0.371393 -2.591695 0.025687 18 1 0 1.276466 2.326575 1.359876 19 1 0 1.281866 2.822279 -1.379550 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8335527 0.4606682 0.3143866 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.4688008587 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 7.01D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999109 -0.005577 -0.012018 0.040082 Ang= -4.84 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.392374953 A.U. after 17 cycles NFock= 17 Conv=0.58D-08 -V/T= 2.3642 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.001661979 -0.000584996 -0.001295134 2 6 -0.001286305 -0.003585377 -0.000457136 3 8 -0.000309146 0.000793721 -0.000661397 4 8 0.001563381 -0.000903952 0.000058015 5 6 -0.002541194 -0.000041947 0.000207619 6 7 0.002390512 -0.001689055 0.001575719 7 6 -0.000326265 -0.001751662 -0.004621020 8 8 -0.000766976 0.002847892 0.000904328 9 7 0.001314605 -0.001663831 0.001654468 10 6 -0.001727074 0.003204067 0.002296220 11 6 0.000179678 -0.001730531 -0.001008417 12 1 -0.000255662 0.001493460 0.002431336 13 1 -0.000032174 -0.001937444 -0.000110760 14 1 0.000542522 0.001633236 -0.000563275 15 1 -0.000261040 0.000786254 -0.000245899 16 53 0.000888305 0.000931099 -0.000205499 17 1 0.000932103 0.000351169 -0.000066378 18 1 0.000618645 0.001914292 0.000487110 19 1 0.000738065 -0.000066397 -0.000379900 ------------------------------------------------------------------- Cartesian Forces: Max 0.004621020 RMS 0.001504367 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004476964 RMS 0.001207095 Search for a local minimum. Step number 4 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 DE= -4.59D-03 DEPred=-3.98D-03 R= 1.15D+00 TightC=F SS= 1.41D+00 RLast= 6.24D-01 DXNew= 8.4853D-01 1.8720D+00 Trust test= 1.15D+00 RLast= 6.24D-01 DXMaxT set to 8.49D-01 ITU= 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00304 0.00496 0.01443 0.01463 0.01678 Eigenvalues --- 0.01787 0.01930 0.01948 0.02118 0.02202 Eigenvalues --- 0.02418 0.02749 0.05061 0.05327 0.05648 Eigenvalues --- 0.05732 0.08479 0.14135 0.15281 0.15999 Eigenvalues --- 0.16000 0.16000 0.16064 0.16290 0.18368 Eigenvalues --- 0.20083 0.23463 0.23547 0.24775 0.24967 Eigenvalues --- 0.25007 0.27693 0.30159 0.33282 0.34824 Eigenvalues --- 0.34847 0.34882 0.35064 0.37815 0.41939 Eigenvalues --- 0.42050 0.42746 0.44018 0.45744 0.48119 Eigenvalues --- 0.49078 0.55141 0.58363 0.88792 0.95015 Eigenvalues --- 1.13782 RFO step: Lambda=-1.97833436D-03 EMin= 3.04015160D-03 Quartic linear search produced a step of 0.42726. Iteration 1 RMS(Cart)= 0.13798807 RMS(Int)= 0.00600352 Iteration 2 RMS(Cart)= 0.00988512 RMS(Int)= 0.00023179 Iteration 3 RMS(Cart)= 0.00005280 RMS(Int)= 0.00022942 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00022942 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.91868 -0.00079 -0.00347 -0.00298 -0.00645 2.91222 R2 2.70875 -0.00041 -0.00230 -0.00096 -0.00326 2.70548 R3 2.82590 -0.00134 -0.00158 -0.00511 -0.00669 2.81921 R4 2.03611 -0.00084 0.00093 -0.00326 -0.00233 2.03378 R5 2.05851 0.00006 0.00036 0.00022 0.00058 2.05909 R6 2.05076 0.00105 -0.00097 0.00386 0.00289 2.05365 R7 2.05799 -0.00147 0.00015 -0.00543 -0.00528 2.05271 R8 1.80710 0.00060 0.00680 0.00101 0.00781 1.81491 R9 2.33672 -0.00170 -0.00135 -0.00246 -0.00381 2.33291 R10 2.63776 0.00083 0.00234 0.00232 0.00462 2.64238 R11 2.77978 -0.00136 0.00075 -0.00449 -0.00382 2.77595 R12 2.60936 -0.00156 -0.00159 -0.00393 -0.00550 2.60386 R13 1.89265 0.00075 0.00151 0.00205 0.00355 1.89620 R14 2.34511 0.00033 0.00086 0.00040 0.00126 2.34638 R15 2.64621 0.00139 -0.00342 0.00380 0.00045 2.64666 R16 2.66500 -0.00066 -0.01040 -0.00183 -0.01216 2.65284 R17 2.57716 -0.00213 -0.00245 -0.00482 -0.00730 2.56985 R18 4.02278 -0.00111 0.00071 -0.00866 -0.00795 4.01482 R19 2.02416 -0.00100 -0.00023 -0.00277 -0.00300 2.02115 A1 1.97013 0.00030 0.00544 0.00241 0.00779 1.97792 A2 1.96248 0.00194 0.00599 0.01324 0.01920 1.98168 A3 1.93683 -0.00133 -0.00631 -0.01255 -0.01880 1.91803 A4 1.85459 -0.00180 -0.00023 -0.00944 -0.00989 1.84470 A5 1.89975 0.00056 0.00177 0.00006 0.00184 1.90160 A6 1.83292 0.00031 -0.00720 0.00653 -0.00056 1.83236 A7 1.92107 -0.00063 -0.00230 -0.00723 -0.00964 1.91144 A8 1.93771 -0.00127 -0.00915 -0.00870 -0.01791 1.91980 A9 1.92111 0.00214 0.00321 0.01824 0.02153 1.94264 A10 1.87748 0.00077 0.00100 0.00404 0.00479 1.88227 A11 1.90604 -0.00090 0.00276 -0.00891 -0.00611 1.89993 A12 1.89961 -0.00014 0.00476 0.00217 0.00704 1.90665 A13 1.98366 -0.00029 0.01150 -0.00265 0.00885 1.99250 A14 2.10770 -0.00039 -0.00057 -0.00171 -0.00221 2.10549 A15 2.18346 0.00057 0.00091 0.00308 0.00406 2.18752 A16 1.99179 -0.00017 -0.00042 -0.00130 -0.00188 1.98990 A17 2.20337 0.00104 -0.00163 0.00618 0.00448 2.20785 A18 2.05997 -0.00091 0.00255 -0.00618 -0.00363 2.05635 A19 2.01984 -0.00013 -0.00093 -0.00001 -0.00094 2.01891 A20 2.11222 -0.00221 0.00743 -0.01181 -0.00478 2.10744 A21 2.04722 -0.00107 -0.00043 -0.00451 -0.00525 2.04196 A22 2.12362 0.00330 -0.00701 0.01721 0.00977 2.13339 A23 1.98068 0.00448 0.00983 0.02141 0.03077 2.01145 A24 2.20585 -0.00353 -0.01135 -0.01573 -0.02748 2.17837 A25 2.09660 -0.00094 0.00151 -0.00516 -0.00391 2.09269 A26 2.11734 0.00196 0.00309 0.00991 0.01281 2.13015 A27 2.15483 -0.00229 -0.01648 -0.00850 -0.02520 2.12963 A28 2.00853 0.00038 0.01240 0.00118 0.01330 2.02183 A29 2.10857 -0.00083 -0.00269 -0.00547 -0.00833 2.10024 A30 2.04023 0.00038 0.00328 0.00250 0.00580 2.04604 A31 2.13430 0.00044 -0.00063 0.00284 0.00222 2.13652 D1 1.54961 -0.00056 -0.03897 -0.09164 -0.13077 1.41884 D2 -2.65671 -0.00082 -0.04516 -0.09674 -0.14189 -2.79860 D3 -0.55220 -0.00041 -0.04297 -0.08760 -0.13067 -0.68287 D4 -2.63558 -0.00128 -0.03120 -0.09256 -0.12373 -2.75932 D5 -0.55872 -0.00153 -0.03739 -0.09766 -0.13485 -0.69356 D6 1.54580 -0.00112 -0.03520 -0.08852 -0.12363 1.42217 D7 -0.58840 -0.00053 -0.04056 -0.08411 -0.12478 -0.71318 D8 1.48847 -0.00078 -0.04675 -0.08922 -0.13589 1.35258 D9 -2.69020 -0.00037 -0.04456 -0.08008 -0.12468 -2.81488 D10 -1.09899 0.00051 -0.00308 -0.01143 -0.01455 -1.11354 D11 3.02540 -0.00086 -0.01375 -0.02296 -0.03668 2.98872 D12 1.05962 -0.00058 -0.00616 -0.02587 -0.03203 1.02760 D13 1.68159 0.00131 0.08396 0.12096 0.20498 1.88657 D14 -1.44820 0.00063 0.08515 0.06824 0.15340 -1.29481 D15 -2.43803 0.00167 0.09425 0.12576 0.22000 -2.21803 D16 0.71536 0.00099 0.09543 0.07304 0.16842 0.88378 D17 -0.42643 0.00166 0.09288 0.12467 0.21757 -0.20886 D18 2.72696 0.00098 0.09406 0.07195 0.16599 2.89295 D19 -3.14141 0.00052 -0.00096 0.02979 0.02881 -3.11260 D20 -0.00083 0.00032 -0.00153 0.01741 0.01574 0.01491 D21 0.02261 0.00051 0.00438 0.02598 0.03033 0.05294 D22 -3.12000 0.00031 0.00381 0.01360 0.01726 -3.10274 D23 3.13326 0.00007 -0.00361 0.00381 0.00019 3.13345 D24 -0.02200 -0.00015 -0.00851 -0.00665 -0.01533 -0.03733 D25 -0.03189 0.00007 -0.00923 0.00773 -0.00151 -0.03340 D26 3.09604 -0.00016 -0.01413 -0.00273 -0.01703 3.07901 D27 -3.13858 0.00050 -0.00543 0.02849 0.02253 -3.11605 D28 0.01964 -0.00042 0.00828 -0.03164 -0.02338 -0.00374 D29 0.00400 0.00070 -0.00487 0.04063 0.03536 0.03936 D30 -3.12096 -0.00023 0.00884 -0.01950 -0.01056 -3.13151 D31 3.09841 -0.00080 -0.01535 -0.04528 -0.06132 3.03709 D32 -0.05416 -0.00019 -0.01653 0.00369 -0.01267 -0.06683 D33 -0.02643 -0.00168 -0.00141 -0.10553 -0.10782 -0.13425 D34 3.10418 -0.00107 -0.00259 -0.05656 -0.05917 3.04501 D35 -3.10830 0.00155 0.01094 0.08437 0.09461 -3.01369 D36 0.11281 0.00071 0.03569 0.04314 0.07801 0.19082 D37 0.04580 0.00080 0.01216 0.02831 0.04060 0.08640 D38 -3.01627 -0.00004 0.03692 -0.01292 0.02399 -2.99228 D39 -0.00072 -0.00070 0.00133 -0.03381 -0.03255 -0.03327 D40 -3.12789 -0.00046 0.00649 -0.02277 -0.01623 3.13907 D41 3.06764 -0.00005 -0.02179 0.00370 -0.01858 3.04906 D42 -0.05953 0.00019 -0.01663 0.01474 -0.00226 -0.06179 Item Value Threshold Converged? Maximum Force 0.004477 0.000450 NO RMS Force 0.001207 0.000300 NO Maximum Displacement 0.539431 0.001800 NO RMS Displacement 0.142468 0.001200 NO Predicted change in Energy=-2.818495D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.034478 -4.959593 2.091658 2 6 0 7.268975 -5.041188 3.612609 3 8 0 6.902334 -6.241909 1.468831 4 8 0 2.699302 -2.023886 0.212706 5 6 0 3.603338 -2.709869 0.698700 6 7 0 4.929041 -2.266215 0.668848 7 6 0 6.030962 -2.943727 1.143576 8 8 0 7.162169 -2.435011 1.086396 9 7 0 5.805427 -4.200954 1.718088 10 6 0 4.493539 -4.679420 1.862101 11 6 0 3.420833 -4.003400 1.370523 12 1 0 7.843805 -4.425783 1.624427 13 1 0 8.321677 -5.243176 3.808323 14 1 0 7.019847 -4.091508 4.078507 15 1 0 5.114317 -1.371862 0.253318 16 53 0 4.052534 -6.445382 2.957828 17 1 0 2.419189 -4.363602 1.474923 18 1 0 6.670862 -5.828464 4.062483 19 1 0 7.691369 -6.787050 1.520153 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.541083 0.000000 3 O 1.431681 2.484339 0.000000 4 O 5.562606 6.445569 6.085643 0.000000 5 C 4.332933 5.230947 4.894056 1.234522 0.000000 6 N 3.702909 4.673488 4.509989 2.288782 1.398287 7 C 2.443281 3.468161 3.426819 3.579467 2.479104 8 O 2.720363 3.631159 3.834872 4.566130 3.590422 9 N 1.491862 2.537159 2.330414 4.080909 2.848102 10 C 2.566625 3.301242 2.897987 3.604393 2.454606 11 C 3.806937 4.572980 4.140222 2.404085 1.468972 12 H 1.076229 2.159171 2.051558 5.850469 4.667215 13 H 2.164310 1.089625 2.912940 7.409682 6.192747 14 H 2.168261 1.086746 3.383555 6.155209 5.000456 15 H 4.465236 5.421378 5.328400 2.501816 2.066806 16 I 3.442355 3.570154 3.221782 5.377412 4.388565 17 H 4.694300 5.343149 4.860727 2.673186 2.177054 18 H 2.184331 1.086246 2.636579 6.713337 5.518186 19 H 2.024284 2.757684 0.960411 7.022670 5.831826 6 7 8 9 10 6 N 0.000000 7 C 1.377904 0.000000 8 O 2.278092 1.241649 0.000000 9 N 2.369002 1.400554 2.314809 0.000000 10 C 2.727100 2.427463 3.572209 1.403824 0.000000 11 C 2.405171 2.826160 4.066714 2.417874 1.359908 12 H 3.751362 2.390421 2.171930 2.052877 3.368250 13 H 5.498052 4.199490 4.079110 3.433194 4.331309 14 H 4.396469 3.302896 3.423006 2.656760 3.411793 15 H 1.003425 2.025724 2.453162 3.259900 3.730080 16 I 4.844908 4.412174 5.408805 3.105970 2.124553 17 H 3.368700 3.894963 5.134810 3.398851 2.133676 18 H 5.219226 4.153456 4.540265 2.982274 3.301927 19 H 5.365923 4.203558 4.405502 3.206844 3.845147 11 12 13 14 15 11 C 0.000000 12 H 4.450343 0.000000 13 H 5.612324 2.380313 0.000000 14 H 4.504869 2.610202 1.759005 0.000000 15 H 3.322805 4.319315 6.157296 5.065530 0.000000 16 I 2.980245 4.497830 4.515996 3.949885 5.846569 17 H 1.069549 5.427032 6.407633 5.293273 4.207914 18 H 4.597847 3.047528 1.769844 1.771740 6.065796 19 H 5.099860 2.368479 2.831352 3.776515 6.129465 16 17 18 19 16 I 0.000000 17 H 3.033254 0.000000 18 H 2.908006 5.188257 0.000000 19 H 3.927438 5.802674 2.902372 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.090799 2.099308 -0.192815 2 6 0 0.696447 2.505753 1.068131 3 8 0 0.734389 1.952403 -1.353502 4 8 0 -3.158440 -2.538620 -0.045203 5 6 0 -2.408884 -1.557805 -0.030605 6 7 0 -2.930564 -0.263630 0.059764 7 6 0 -2.211955 0.912032 0.053541 8 8 0 -2.785669 2.007311 0.167163 9 7 0 -0.819256 0.805332 -0.049183 10 6 0 -0.213190 -0.460888 -0.058724 11 6 0 -0.941349 -1.609367 -0.070096 12 1 0 -0.855768 2.828074 -0.397733 13 1 0 0.870671 3.581308 1.057581 14 1 0 0.119330 2.270565 1.958434 15 1 0 -3.926880 -0.163832 0.124997 16 53 0 1.894491 -0.701772 0.056958 17 1 0 -0.485751 -2.576980 -0.079684 18 1 0 1.654094 1.995415 1.117094 19 1 0 1.161145 2.764472 -1.637778 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8482346 0.4618806 0.3193074 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.8730874993 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.96D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999657 -0.003981 -0.011986 0.022933 Ang= -3.00 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.393690494 A.U. after 17 cycles NFock= 17 Conv=0.60D-08 -V/T= 2.3636 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.000112863 0.004227537 -0.001407146 2 6 -0.000497527 -0.001144227 0.000087673 3 8 0.001460443 -0.006510868 -0.001010836 4 8 -0.000517908 0.000431644 -0.000221599 5 6 0.000714416 0.000190098 -0.001332873 6 7 -0.000733503 0.000400553 -0.001767541 7 6 0.003049562 0.002265126 0.003220938 8 8 -0.000709710 -0.001522229 -0.001934898 9 7 0.004869007 -0.001339730 0.002735689 10 6 -0.002333019 -0.001809968 0.000849377 11 6 -0.001156704 -0.000596818 0.000211555 12 1 -0.000060228 0.002402453 0.001329601 13 1 0.000117475 -0.001017835 -0.000361465 14 1 0.000823333 0.000640303 0.000530159 15 1 -0.000568657 -0.000917859 0.000519556 16 53 -0.003657046 -0.001463977 -0.002071180 17 1 -0.000356384 0.000307321 0.000368950 18 1 0.002576717 0.002554127 0.000450264 19 1 -0.002907404 0.002904349 -0.000196223 ------------------------------------------------------------------- Cartesian Forces: Max 0.006510868 RMS 0.001924658 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.009257542 RMS 0.002373577 Search for a local minimum. Step number 5 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 4 5 DE= -1.32D-03 DEPred=-2.82D-03 R= 4.67D-01 Trust test= 4.67D-01 RLast= 6.49D-01 DXMaxT set to 8.49D-01 ITU= 0 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00344 0.00979 0.01372 0.01477 0.01684 Eigenvalues --- 0.01835 0.01932 0.01982 0.02180 0.02307 Eigenvalues --- 0.02407 0.03381 0.04971 0.05352 0.05636 Eigenvalues --- 0.05819 0.08587 0.14128 0.14960 0.15995 Eigenvalues --- 0.15999 0.16000 0.16056 0.16205 0.18612 Eigenvalues --- 0.20721 0.23433 0.23492 0.24801 0.24977 Eigenvalues --- 0.24992 0.27043 0.30158 0.33325 0.34780 Eigenvalues --- 0.34831 0.34849 0.35030 0.37708 0.42039 Eigenvalues --- 0.42211 0.42749 0.43779 0.45780 0.48314 Eigenvalues --- 0.49120 0.54516 0.58318 0.88744 0.95312 Eigenvalues --- 1.21266 RFO step: Lambda=-2.24942640D-03 EMin= 3.43831047D-03 Quartic linear search produced a step of -0.25614. Iteration 1 RMS(Cart)= 0.07554317 RMS(Int)= 0.00334458 Iteration 2 RMS(Cart)= 0.00386228 RMS(Int)= 0.00023305 Iteration 3 RMS(Cart)= 0.00001416 RMS(Int)= 0.00023276 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00023276 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.91222 0.00110 0.00165 -0.00283 -0.00118 2.91104 R2 2.70548 0.00389 0.00084 0.00257 0.00340 2.70889 R3 2.81921 -0.00105 0.00171 -0.00570 -0.00399 2.81522 R4 2.03378 0.00057 0.00060 0.00038 0.00098 2.03476 R5 2.05909 0.00024 -0.00015 0.00091 0.00076 2.05985 R6 2.05365 0.00060 -0.00074 0.00254 0.00180 2.05546 R7 2.05271 -0.00308 0.00135 -0.00885 -0.00750 2.04521 R8 1.81491 -0.00405 -0.00200 0.00150 -0.00050 1.81441 R9 2.33291 0.00071 0.00098 -0.00201 -0.00103 2.33188 R10 2.64238 -0.00088 -0.00118 0.00116 -0.00018 2.64220 R11 2.77595 0.00047 0.00098 -0.00208 -0.00119 2.77476 R12 2.60386 0.00109 0.00141 -0.00249 -0.00114 2.60272 R13 1.89620 -0.00114 -0.00091 0.00107 0.00016 1.89636 R14 2.34638 -0.00118 -0.00032 0.00030 -0.00003 2.34635 R15 2.64666 0.00119 -0.00012 0.00075 0.00074 2.64740 R16 2.65284 0.00852 0.00311 0.00376 0.00703 2.65987 R17 2.56985 0.00167 0.00187 -0.00272 -0.00079 2.56907 R18 4.01482 0.00091 0.00204 -0.00217 -0.00014 4.01469 R19 2.02115 0.00027 0.00077 -0.00179 -0.00102 2.02014 A1 1.97792 0.00001 -0.00200 0.00751 0.00539 1.98331 A2 1.98168 0.00492 -0.00492 0.02977 0.02484 2.00652 A3 1.91803 -0.00317 0.00482 -0.03246 -0.02753 1.89050 A4 1.84470 -0.00232 0.00253 -0.00738 -0.00503 1.83967 A5 1.90160 0.00202 -0.00047 0.01302 0.01254 1.91414 A6 1.83236 -0.00151 0.00014 -0.01072 -0.01042 1.82194 A7 1.91144 -0.00136 0.00247 -0.01283 -0.01035 1.90109 A8 1.91980 0.00039 0.00459 -0.01029 -0.00576 1.91404 A9 1.94264 0.00292 -0.00552 0.02550 0.01997 1.96261 A10 1.88227 0.00005 -0.00123 0.00130 0.00004 1.88231 A11 1.89993 -0.00111 0.00156 -0.00967 -0.00806 1.89187 A12 1.90665 -0.00099 -0.00180 0.00529 0.00343 1.91008 A13 1.99250 -0.00118 -0.00227 0.00269 0.00042 1.99293 A14 2.10549 -0.00012 0.00057 -0.00101 -0.00047 2.10502 A15 2.18752 -0.00010 -0.00104 0.00339 0.00233 2.18985 A16 1.98990 0.00023 0.00048 -0.00208 -0.00164 1.98826 A17 2.20785 0.00084 -0.00115 0.00349 0.00239 2.21025 A18 2.05635 -0.00076 0.00093 -0.00384 -0.00293 2.05341 A19 2.01891 -0.00008 0.00024 0.00024 0.00045 2.01935 A20 2.10744 -0.00038 0.00122 -0.00093 0.00001 2.10745 A21 2.04196 0.00103 0.00135 0.00022 0.00174 2.04370 A22 2.13339 -0.00062 -0.00250 0.00140 -0.00139 2.13200 A23 2.01145 -0.00764 -0.00788 -0.00254 -0.01132 2.00014 A24 2.17837 0.00926 0.00704 0.00514 0.01115 2.18952 A25 2.09269 -0.00167 0.00100 -0.00557 -0.00471 2.08797 A26 2.13015 -0.00175 -0.00328 0.00504 0.00172 2.13187 A27 2.12963 0.00841 0.00646 0.00430 0.01006 2.13968 A28 2.02183 -0.00655 -0.00341 -0.00610 -0.01020 2.01163 A29 2.10024 0.00134 0.00213 -0.00134 0.00098 2.10123 A30 2.04604 -0.00084 -0.00149 0.00127 -0.00034 2.04569 A31 2.13652 -0.00049 -0.00057 0.00035 -0.00035 2.13617 D1 1.41884 -0.00045 0.03349 -0.14315 -0.10973 1.30911 D2 -2.79860 -0.00098 0.03634 -0.15550 -0.11921 -2.91781 D3 -0.68287 -0.00004 0.03347 -0.13891 -0.10546 -0.78833 D4 -2.75932 0.00020 0.03169 -0.12465 -0.09290 -2.85221 D5 -0.69356 -0.00033 0.03454 -0.13700 -0.10238 -0.79595 D6 1.42217 0.00062 0.03167 -0.12041 -0.08863 1.33353 D7 -0.71318 -0.00074 0.03196 -0.14132 -0.10942 -0.82260 D8 1.35258 -0.00127 0.03481 -0.15367 -0.11891 1.23367 D9 -2.81488 -0.00032 0.03193 -0.13708 -0.10515 -2.92003 D10 -1.11354 0.00219 0.00373 -0.00243 0.00127 -1.11227 D11 2.98872 -0.00237 0.00939 -0.03960 -0.03018 2.95854 D12 1.02760 -0.00040 0.00820 -0.02951 -0.02130 1.00629 D13 1.88657 -0.00190 -0.05250 0.02332 -0.02915 1.85742 D14 -1.29481 -0.00335 -0.03929 -0.06414 -0.10352 -1.39833 D15 -2.21803 -0.00040 -0.05635 0.04669 -0.00959 -2.22762 D16 0.88378 -0.00184 -0.04314 -0.04077 -0.08396 0.79982 D17 -0.20886 0.00021 -0.05573 0.05349 -0.00216 -0.21102 D18 2.89295 -0.00123 -0.04252 -0.03397 -0.07653 2.81642 D19 -3.11260 -0.00002 -0.00738 0.01563 0.00817 -3.10443 D20 0.01491 -0.00008 -0.00403 0.00542 0.00141 0.01632 D21 0.05294 -0.00031 -0.00777 0.00279 -0.00496 0.04798 D22 -3.10274 -0.00037 -0.00442 -0.00743 -0.01172 -3.11445 D23 3.13345 -0.00029 -0.00005 -0.01045 -0.01055 3.12291 D24 -0.03733 0.00032 0.00393 0.00002 0.00394 -0.03339 D25 -0.03340 0.00002 0.00039 0.00303 0.00328 -0.03012 D26 3.07901 0.00063 0.00436 0.01350 0.01776 3.09677 D27 -3.11605 -0.00120 -0.00577 -0.03015 -0.03570 3.13143 D28 -0.00374 0.00039 0.00599 -0.00451 0.00162 -0.00212 D29 0.03936 -0.00114 -0.00906 -0.02010 -0.02904 0.01032 D30 -3.13151 0.00045 0.00270 0.00554 0.00828 -3.12323 D31 3.03709 -0.00106 0.01571 -0.08165 -0.06535 2.97174 D32 -0.06683 0.00003 0.00324 0.00092 0.00392 -0.06290 D33 -0.13425 0.00057 0.02762 -0.05564 -0.02744 -0.16169 D34 3.04501 0.00165 0.01516 0.02693 0.04184 3.08685 D35 -3.01369 0.00115 -0.02423 0.09600 0.07240 -2.94128 D36 0.19082 -0.00077 -0.01998 0.03181 0.01197 0.20279 D37 0.08640 -0.00046 -0.01040 0.00483 -0.00552 0.08088 D38 -2.99228 -0.00239 -0.00614 -0.05936 -0.06596 -3.05824 D39 -0.03327 0.00036 0.00834 -0.00685 0.00161 -0.03165 D40 3.13907 -0.00029 0.00416 -0.01788 -0.01364 3.12542 D41 3.04906 0.00267 0.00476 0.05395 0.05857 3.10763 D42 -0.06179 0.00203 0.00058 0.04291 0.04331 -0.01848 Item Value Threshold Converged? Maximum Force 0.009258 0.000450 NO RMS Force 0.002374 0.000300 NO Maximum Displacement 0.399564 0.001800 NO RMS Displacement 0.075261 0.001200 NO Predicted change in Energy=-1.463880D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.010890 -4.953267 2.118806 2 6 0 7.339720 -5.027917 3.621907 3 8 0 6.841736 -6.236676 1.503080 4 8 0 2.711376 -2.047267 0.139758 5 6 0 3.598867 -2.719629 0.671723 6 7 0 4.921868 -2.267564 0.687318 7 6 0 6.011178 -2.931340 1.206696 8 8 0 7.145604 -2.429597 1.152051 9 7 0 5.778324 -4.187258 1.782099 10 6 0 4.461926 -4.676696 1.875475 11 6 0 3.403346 -4.011798 1.341121 12 1 0 7.802951 -4.416081 1.625390 13 1 0 8.378150 -5.336902 3.741694 14 1 0 7.231287 -4.042626 4.069719 15 1 0 5.114922 -1.377568 0.265811 16 53 0 3.985103 -6.497491 2.860750 17 1 0 2.403911 -4.387002 1.397124 18 1 0 6.710427 -5.733943 4.148068 19 1 0 7.632414 -6.781379 1.505410 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.540458 0.000000 3 O 1.433482 2.489681 0.000000 4 O 5.554033 6.513924 6.039011 0.000000 5 C 4.327250 5.293936 4.855612 1.233976 0.000000 6 N 3.691365 4.698657 4.483883 2.287930 1.398191 7 C 2.433014 3.463222 3.420952 3.578915 2.479972 8 O 2.705859 3.590145 3.835285 4.564349 3.590846 9 N 1.489752 2.555300 2.325685 4.084484 2.852526 10 C 2.575446 3.384535 2.869793 3.604308 2.454385 11 C 3.808613 4.661493 4.098638 2.404470 1.468340 12 H 1.076749 2.138926 2.062391 5.808831 4.632684 13 H 2.156464 1.090026 2.860341 7.477163 6.254310 14 H 2.164232 1.087701 3.399005 6.313132 5.146958 15 H 4.451281 5.434901 5.303173 2.498283 2.065022 16 I 3.477140 3.740650 3.173585 5.369419 4.383293 17 H 4.697418 5.451847 4.809034 2.673923 2.175835 18 H 2.194911 1.082279 2.695541 6.756518 5.554536 19 H 2.025967 2.764029 0.960146 6.963723 5.784665 6 7 8 9 10 6 N 0.000000 7 C 1.377298 0.000000 8 O 2.277550 1.241634 0.000000 9 N 2.370082 1.400943 2.314258 0.000000 10 C 2.725286 2.427698 3.574203 1.407542 0.000000 11 C 2.403272 2.825995 4.067382 2.421935 1.359491 12 H 3.714398 2.364364 2.145292 2.043535 3.360493 13 H 5.540392 4.220841 4.083852 3.452649 4.388104 14 H 4.463732 3.304622 3.334965 2.713895 3.589723 15 H 1.003509 2.025523 2.452723 3.260918 3.728494 16 I 4.847022 4.422478 5.427355 3.117099 2.124481 17 H 3.366890 3.894559 5.135674 3.402170 2.132643 18 H 5.214549 4.122524 4.481540 2.976383 3.367225 19 H 5.328308 4.188131 4.393160 3.200574 3.823432 11 12 13 14 15 11 C 0.000000 12 H 4.427277 0.000000 13 H 5.680433 2.378551 0.000000 14 H 4.700992 2.537915 1.760127 0.000000 15 H 3.320384 4.278612 6.197317 5.104042 0.000000 16 I 2.970923 4.520437 4.628379 4.245666 5.850112 17 H 1.069011 5.403942 6.487746 5.528555 4.205489 18 H 4.667067 3.048650 1.761840 1.771437 6.049426 19 H 5.057923 2.374471 2.764706 3.773242 6.088969 16 17 18 19 16 I 0.000000 17 H 3.016046 0.000000 18 H 3.109274 5.284697 0.000000 19 H 3.901336 5.751697 2.988448 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.147140 2.102903 -0.214067 2 6 0 0.571114 2.670967 1.024653 3 8 0 0.718577 1.902709 -1.338934 4 8 0 -3.099612 -2.598971 -0.063798 5 6 0 -2.369552 -1.605037 -0.021306 6 7 0 -2.918423 -0.321120 0.051039 7 6 0 -2.225874 0.869335 0.062943 8 8 0 -2.828200 1.953611 0.119554 9 7 0 -0.828369 0.795225 -0.001308 10 6 0 -0.197249 -0.462886 0.003054 11 6 0 -0.901359 -1.625494 -0.024998 12 1 0 -0.941640 2.777771 -0.483714 13 1 0 0.773718 3.729482 0.861387 14 1 0 -0.076436 2.585756 1.894429 15 1 0 -3.918441 -0.243151 0.081274 16 53 0 1.915031 -0.683466 0.058149 17 1 0 -0.425878 -2.582871 -0.036398 18 1 0 1.509717 2.170338 1.223957 19 1 0 1.104116 2.710137 -1.687216 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8364089 0.4621906 0.3169426 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.5591030673 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2610. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 7.04D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999911 0.008097 0.002070 -0.010371 Ang= 1.53 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.394707357 A.U. after 15 cycles NFock= 15 Conv=0.54D-08 -V/T= 2.3637 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2610. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.002625499 0.002582043 -0.000969656 2 6 -0.001906095 0.001155235 -0.001260970 3 8 0.003080512 -0.004414310 -0.000317280 4 8 -0.001216406 0.000903563 -0.000256648 5 6 0.001631649 -0.000172661 -0.000760826 6 7 -0.001100411 0.002334830 -0.000269709 7 6 0.002932842 0.000287044 -0.001227628 8 8 -0.001098350 0.000141422 0.000321170 9 7 0.000918984 -0.000072639 0.003485194 10 6 0.000054874 -0.004882683 -0.002556406 11 6 -0.001090803 0.001265365 0.000827255 12 1 0.000317732 -0.000148791 -0.000374480 13 1 0.000219017 -0.000605521 -0.000257834 14 1 0.000551359 -0.000050333 0.000155586 15 1 -0.000329168 -0.000982727 0.000588052 16 53 -0.000072699 0.000153986 0.001510698 17 1 -0.000715685 0.000201971 0.000478987 18 1 -0.002029631 -0.000399490 0.000812983 19 1 -0.002773220 0.002703695 0.000071512 ------------------------------------------------------------------- Cartesian Forces: Max 0.004882683 RMS 0.001602674 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004461266 RMS 0.001092371 Search for a local minimum. Step number 6 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 5 6 DE= -1.02D-03 DEPred=-1.46D-03 R= 6.95D-01 TightC=F SS= 1.41D+00 RLast= 3.94D-01 DXNew= 1.4270D+00 1.1824D+00 Trust test= 6.95D-01 RLast= 3.94D-01 DXMaxT set to 1.18D+00 ITU= 1 0 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00296 0.00975 0.01410 0.01513 0.01680 Eigenvalues --- 0.01832 0.01931 0.01966 0.02184 0.02298 Eigenvalues --- 0.02391 0.03934 0.05194 0.05399 0.05748 Eigenvalues --- 0.05947 0.08531 0.14136 0.15166 0.15985 Eigenvalues --- 0.15998 0.16007 0.16050 0.16095 0.18901 Eigenvalues --- 0.23422 0.23472 0.24502 0.24799 0.24984 Eigenvalues --- 0.25077 0.27037 0.30400 0.33234 0.34812 Eigenvalues --- 0.34840 0.34960 0.35456 0.37741 0.42039 Eigenvalues --- 0.42318 0.42774 0.43741 0.45730 0.47998 Eigenvalues --- 0.48918 0.54360 0.58273 0.88763 0.95013 Eigenvalues --- 1.17477 RFO step: Lambda=-7.60295939D-04 EMin= 2.96208680D-03 Quartic linear search produced a step of -0.17271. Iteration 1 RMS(Cart)= 0.03596101 RMS(Int)= 0.00110482 Iteration 2 RMS(Cart)= 0.00126547 RMS(Int)= 0.00007435 Iteration 3 RMS(Cart)= 0.00000164 RMS(Int)= 0.00007434 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00007434 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.91104 -0.00122 0.00020 -0.00337 -0.00316 2.90788 R2 2.70889 0.00160 -0.00059 0.00508 0.00449 2.71338 R3 2.81522 -0.00084 0.00069 -0.00337 -0.00268 2.81254 R4 2.03476 0.00033 -0.00017 0.00184 0.00167 2.03643 R5 2.05985 0.00035 -0.00013 0.00114 0.00101 2.06086 R6 2.05546 -0.00004 -0.00031 0.00042 0.00011 2.05557 R7 2.04521 0.00184 0.00129 0.00114 0.00243 2.04764 R8 1.81441 -0.00382 0.00009 -0.00765 -0.00756 1.80685 R9 2.33188 0.00148 0.00018 0.00131 0.00149 2.33337 R10 2.64220 0.00006 0.00003 -0.00092 -0.00087 2.64133 R11 2.77476 0.00128 0.00021 0.00229 0.00253 2.77729 R12 2.60272 0.00159 0.00020 0.00281 0.00300 2.60571 R13 1.89636 -0.00118 -0.00003 -0.00225 -0.00228 1.89408 R14 2.34635 -0.00096 0.00000 -0.00119 -0.00118 2.34516 R15 2.64740 0.00177 -0.00013 0.00258 0.00243 2.64982 R16 2.65987 0.00211 -0.00121 0.00786 0.00663 2.66650 R17 2.56907 0.00211 0.00014 0.00331 0.00345 2.57252 R18 4.01469 0.00058 0.00002 0.00343 0.00345 4.01814 R19 2.02014 0.00062 0.00018 0.00058 0.00075 2.02089 A1 1.98331 -0.00001 -0.00093 -0.00597 -0.00696 1.97635 A2 2.00652 -0.00446 -0.00429 -0.01042 -0.01475 1.99177 A3 1.89050 0.00168 0.00475 0.00160 0.00640 1.89690 A4 1.83967 0.00231 0.00087 0.00028 0.00104 1.84071 A5 1.91414 -0.00089 -0.00217 0.00621 0.00403 1.91817 A6 1.82194 0.00149 0.00180 0.01023 0.01203 1.83397 A7 1.90109 -0.00034 0.00179 -0.00463 -0.00285 1.89825 A8 1.91404 0.00053 0.00099 0.00188 0.00288 1.91692 A9 1.96261 -0.00053 -0.00345 0.00379 0.00034 1.96295 A10 1.88231 0.00001 -0.00001 0.00021 0.00022 1.88253 A11 1.89187 0.00053 0.00139 -0.00013 0.00125 1.89312 A12 1.91008 -0.00017 -0.00059 -0.00129 -0.00187 1.90821 A13 1.99293 -0.00111 -0.00007 -0.00688 -0.00695 1.98597 A14 2.10502 -0.00009 0.00008 -0.00013 -0.00012 2.10490 A15 2.18985 -0.00038 -0.00040 -0.00044 -0.00092 2.18893 A16 1.98826 0.00046 0.00028 0.00036 0.00058 1.98884 A17 2.21025 0.00015 -0.00041 0.00062 0.00016 2.21041 A18 2.05341 -0.00015 0.00051 -0.00145 -0.00093 2.05248 A19 2.01935 0.00001 -0.00008 0.00093 0.00087 2.02022 A20 2.10745 -0.00032 -0.00000 0.00016 0.00023 2.10768 A21 2.04370 -0.00024 -0.00030 0.00034 -0.00001 2.04369 A22 2.13200 0.00057 0.00024 -0.00050 -0.00019 2.13181 A23 2.00014 0.00088 0.00195 -0.00543 -0.00330 1.99683 A24 2.18952 -0.00120 -0.00193 0.00373 0.00198 2.19151 A25 2.08797 0.00036 0.00081 0.00110 0.00195 2.08992 A26 2.13187 -0.00085 -0.00030 -0.00305 -0.00371 2.12816 A27 2.13968 -0.00005 -0.00174 0.00580 0.00376 2.14344 A28 2.01163 0.00090 0.00176 -0.00284 -0.00137 2.01026 A29 2.10123 0.00016 -0.00017 0.00224 0.00207 2.10330 A30 2.04569 -0.00025 0.00006 -0.00237 -0.00231 2.04338 A31 2.13617 0.00009 0.00006 0.00013 0.00019 2.13636 D1 1.30911 -0.00031 0.01895 -0.08960 -0.07067 1.23844 D2 -2.91781 -0.00019 0.02059 -0.09098 -0.07042 -2.98823 D3 -0.78833 -0.00040 0.01821 -0.08871 -0.07053 -0.85886 D4 -2.85221 -0.00073 0.01604 -0.10241 -0.08634 -2.93855 D5 -0.79595 -0.00062 0.01768 -0.10379 -0.08609 -0.88204 D6 1.33353 -0.00083 0.01531 -0.10153 -0.08620 1.24733 D7 -0.82260 -0.00038 0.01890 -0.09472 -0.07581 -0.89840 D8 1.23367 -0.00027 0.02054 -0.09610 -0.07556 1.15811 D9 -2.92003 -0.00048 0.01816 -0.09383 -0.07567 -2.99570 D10 -1.11227 -0.00196 -0.00022 -0.01640 -0.01663 -1.12890 D11 2.95854 0.00202 0.00521 0.00074 0.00596 2.96450 D12 1.00629 -0.00045 0.00368 -0.01390 -0.01022 0.99607 D13 1.85742 0.00074 0.00503 -0.02138 -0.01638 1.84104 D14 -1.39833 0.00121 0.01788 -0.02753 -0.00966 -1.40799 D15 -2.22762 -0.00050 0.00166 -0.03596 -0.03432 -2.26194 D16 0.79982 -0.00003 0.01450 -0.04211 -0.02760 0.77221 D17 -0.21102 0.00010 0.00037 -0.02452 -0.02413 -0.23515 D18 2.81642 0.00057 0.01322 -0.03067 -0.01741 2.79901 D19 -3.10443 -0.00048 -0.00141 -0.01795 -0.01938 -3.12381 D20 0.01632 -0.00025 -0.00024 -0.01178 -0.01203 0.00429 D21 0.04798 0.00016 0.00086 0.00183 0.00266 0.05064 D22 -3.11445 0.00038 0.00202 0.00801 0.01000 -3.10445 D23 3.12291 0.00019 0.00182 0.00308 0.00487 3.12777 D24 -0.03339 -0.00012 -0.00068 0.00231 0.00163 -0.03176 D25 -0.03012 -0.00048 -0.00057 -0.01783 -0.01840 -0.04852 D26 3.09677 -0.00078 -0.00307 -0.01859 -0.02164 3.07513 D27 3.13143 0.00055 0.00617 -0.00219 0.00398 3.13541 D28 -0.00212 -0.00019 -0.00028 -0.00209 -0.00239 -0.00451 D29 0.01032 0.00033 0.00502 -0.00824 -0.00322 0.00710 D30 -3.12323 -0.00041 -0.00143 -0.00814 -0.00960 -3.13283 D31 2.97174 0.00083 0.01129 0.01203 0.02329 2.99503 D32 -0.06290 0.00050 -0.00068 0.01757 0.01697 -0.04593 D33 -0.16169 0.00009 0.00474 0.01213 0.01682 -0.14488 D34 3.08685 -0.00024 -0.00723 0.01767 0.01050 3.09735 D35 -2.94128 -0.00142 -0.01250 -0.02813 -0.04071 -2.98200 D36 0.20279 0.00097 -0.00207 0.01687 0.01485 0.21764 D37 0.08088 -0.00091 0.00095 -0.03494 -0.03398 0.04689 D38 -3.05824 0.00149 0.01139 0.01006 0.02158 -3.03665 D39 -0.03165 0.00088 -0.00028 0.03493 0.03461 0.00295 D40 3.12542 0.00120 0.00236 0.03576 0.03804 -3.11972 D41 3.10763 -0.00135 -0.01012 -0.00698 -0.01699 3.09064 D42 -0.01848 -0.00103 -0.00748 -0.00616 -0.01355 -0.03203 Item Value Threshold Converged? Maximum Force 0.004461 0.000450 NO RMS Force 0.001092 0.000300 NO Maximum Displacement 0.159154 0.001800 NO RMS Displacement 0.036040 0.001200 NO Predicted change in Energy=-4.823962D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.022537 -4.954350 2.106642 2 6 0 7.326323 -5.007489 3.614207 3 8 0 6.858233 -6.252640 1.515766 4 8 0 2.702653 -2.030945 0.183054 5 6 0 3.597731 -2.719794 0.682020 6 7 0 4.919797 -2.266405 0.697149 7 6 0 6.014198 -2.937143 1.200856 8 8 0 7.146499 -2.431626 1.151412 9 7 0 5.785655 -4.201881 1.761609 10 6 0 4.469874 -4.705503 1.840007 11 6 0 3.405943 -4.021750 1.336301 12 1 0 7.820115 -4.424533 1.612223 13 1 0 8.338278 -5.388912 3.754867 14 1 0 7.286278 -4.004915 4.034285 15 1 0 5.107224 -1.368002 0.294220 16 53 0 3.988880 -6.522062 2.834963 17 1 0 2.403500 -4.387085 1.408914 18 1 0 6.639507 -5.649722 4.152664 19 1 0 7.650775 -6.787241 1.532841 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.538785 0.000000 3 O 1.435858 2.484545 0.000000 4 O 5.559486 6.481585 6.071875 0.000000 5 C 4.330368 5.266276 4.879242 1.234765 0.000000 6 N 3.692321 4.670560 4.507520 2.288114 1.397731 7 C 2.430293 3.439806 3.435707 3.580984 2.481077 8 O 2.700365 3.568300 3.849156 4.565745 3.591257 9 N 1.488332 2.540626 2.327332 4.087750 2.854664 10 C 2.578586 3.376134 2.864092 3.608576 2.458579 11 C 3.813518 4.640035 4.114291 2.405805 1.469678 12 H 1.077630 2.142803 2.067969 5.827538 4.647573 13 H 2.153292 1.090560 2.819599 7.469542 6.248150 14 H 2.164900 1.087761 3.402709 6.303820 5.147290 15 H 4.451426 5.403015 5.330844 2.496761 2.063081 16 I 3.491596 3.746957 3.169551 5.371883 4.386958 17 H 4.705753 5.429770 4.830772 2.672755 2.175873 18 H 2.194643 1.083567 2.713776 6.659742 5.466466 19 H 2.020747 2.757693 0.956145 6.994869 5.804756 6 7 8 9 10 6 N 0.000000 7 C 1.378885 0.000000 8 O 2.278564 1.241007 0.000000 9 N 2.372521 1.402226 2.314744 0.000000 10 C 2.730889 2.433218 3.578967 1.411050 0.000000 11 C 2.404477 2.828023 4.068715 2.424122 1.361319 12 H 3.729171 2.375476 2.153552 2.052051 3.369709 13 H 5.548487 4.235032 4.116292 3.449348 4.370159 14 H 4.445124 3.284303 3.287208 2.730516 3.638380 15 H 1.002301 2.026522 2.454529 3.262571 3.732906 16 I 4.852574 4.429883 5.434756 3.124697 2.126306 17 H 3.366845 3.896506 5.136747 3.405535 2.134744 18 H 5.132721 4.057372 4.429526 2.922747 3.308661 19 H 5.347390 4.196648 4.401269 3.196106 3.813937 11 12 13 14 15 11 C 0.000000 12 H 4.441090 0.000000 13 H 5.660966 2.406126 0.000000 14 H 4.726140 2.515442 1.760747 0.000000 15 H 3.320041 4.294099 6.211562 5.068498 0.000000 16 I 2.972770 4.535756 4.587758 4.318245 5.854093 17 H 1.069408 5.420558 6.459779 5.556991 4.203276 18 H 4.586734 3.057574 1.764111 1.771360 5.963942 19 H 5.070027 2.370098 2.713924 3.759178 6.113263 16 17 18 19 16 I 0.000000 17 H 3.017477 0.000000 18 H 3.085958 5.202516 0.000000 19 H 3.895551 5.771482 3.029865 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.163843 2.110584 -0.212029 2 6 0 0.524963 2.654846 1.051769 3 8 0 0.738422 1.924411 -1.313367 4 8 0 -3.088100 -2.614536 -0.039257 5 6 0 -2.363464 -1.614859 -0.025394 6 7 0 -2.919142 -0.334141 0.042695 7 6 0 -2.232736 0.861752 0.045699 8 8 0 -2.840420 1.942250 0.103523 9 7 0 -0.833677 0.795295 -0.021053 10 6 0 -0.192219 -0.461485 -0.031013 11 6 0 -0.893858 -1.628057 -0.031565 12 1 0 -0.952523 2.788455 -0.494448 13 1 0 0.802058 3.695481 0.879667 14 1 0 -0.167708 2.628289 1.890056 15 1 0 -3.918094 -0.262952 0.083125 16 53 0 1.921279 -0.677041 0.057527 17 1 0 -0.415587 -2.584478 -0.019330 18 1 0 1.419375 2.099315 1.307758 19 1 0 1.122141 2.737301 -1.639225 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8362182 0.4612719 0.3162997 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.4752127270 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2607. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.99D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999995 -0.001285 0.001456 -0.002326 Ang= -0.35 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.395241717 A.U. after 14 cycles NFock= 14 Conv=0.58D-08 -V/T= 2.3640 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2607. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.000077746 -0.000579683 0.000603181 2 6 -0.000170634 0.000349876 -0.000518248 3 8 0.000541716 0.000335762 -0.000042728 4 8 -0.000214462 -0.000359506 -0.000841988 5 6 0.000396060 0.001076276 0.002310048 6 7 -0.000151117 0.000217047 -0.000349497 7 6 0.000348789 -0.000114769 -0.000689172 8 8 -0.000532961 0.000249429 0.000245936 9 7 -0.000278430 0.000338581 -0.000411955 10 6 -0.000133344 0.000074598 0.001310605 11 6 0.000621916 -0.000354662 -0.000925321 12 1 -0.000589467 -0.000383386 -0.000469978 13 1 0.000018156 -0.000486756 0.000373678 14 1 0.000357084 0.000089334 -0.000297038 15 1 0.000095289 0.000005861 -0.000035736 16 53 0.000290406 0.000121255 0.000192234 17 1 -0.000285897 -0.000300414 -0.000247945 18 1 -0.001061519 0.000085589 0.000064147 19 1 0.000670669 -0.000364430 -0.000270223 ------------------------------------------------------------------- Cartesian Forces: Max 0.002310048 RMS 0.000549956 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002115069 RMS 0.000505045 Search for a local minimum. Step number 7 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 6 7 DE= -5.34D-04 DEPred=-4.82D-04 R= 1.11D+00 TightC=F SS= 1.41D+00 RLast= 2.61D-01 DXNew= 1.9885D+00 7.8366D-01 Trust test= 1.11D+00 RLast= 2.61D-01 DXMaxT set to 1.18D+00 ITU= 1 1 0 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00211 0.00983 0.01405 0.01482 0.01718 Eigenvalues --- 0.01798 0.01931 0.01985 0.02190 0.02313 Eigenvalues --- 0.02950 0.04145 0.05362 0.05570 0.05851 Eigenvalues --- 0.05896 0.08675 0.14144 0.15024 0.15994 Eigenvalues --- 0.16000 0.16027 0.16065 0.16348 0.18718 Eigenvalues --- 0.21114 0.23443 0.23482 0.24742 0.24948 Eigenvalues --- 0.25005 0.27191 0.30178 0.33293 0.34813 Eigenvalues --- 0.34829 0.34965 0.35204 0.37730 0.42081 Eigenvalues --- 0.42250 0.42796 0.43724 0.45817 0.48174 Eigenvalues --- 0.49166 0.54258 0.58519 0.88681 0.95012 Eigenvalues --- 1.17994 RFO step: Lambda=-5.00367386D-04 EMin= 2.10878337D-03 Quartic linear search produced a step of 0.24834. Iteration 1 RMS(Cart)= 0.04524482 RMS(Int)= 0.00260813 Iteration 2 RMS(Cart)= 0.00270305 RMS(Int)= 0.00005219 Iteration 3 RMS(Cart)= 0.00000693 RMS(Int)= 0.00005189 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00005189 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90788 -0.00054 -0.00079 -0.00338 -0.00417 2.90372 R2 2.71338 0.00002 0.00111 0.00146 0.00258 2.71596 R3 2.81254 0.00022 -0.00067 -0.00059 -0.00126 2.81128 R4 2.03643 -0.00041 0.00041 -0.00064 -0.00022 2.03620 R5 2.06086 0.00024 0.00025 0.00124 0.00149 2.06235 R6 2.05557 -0.00005 0.00003 0.00016 0.00019 2.05576 R7 2.04764 0.00065 0.00060 0.00102 0.00162 2.04927 R8 1.80685 0.00075 -0.00188 0.00136 -0.00052 1.80633 R9 2.33337 0.00030 0.00037 0.00036 0.00073 2.33410 R10 2.64133 -0.00012 -0.00022 -0.00036 -0.00055 2.64077 R11 2.77729 0.00018 0.00063 0.00087 0.00152 2.77881 R12 2.60571 0.00005 0.00074 0.00041 0.00115 2.60687 R13 1.89408 0.00004 -0.00057 -0.00018 -0.00075 1.89333 R14 2.34516 -0.00039 -0.00029 -0.00075 -0.00105 2.34412 R15 2.64982 0.00047 0.00060 0.00130 0.00188 2.65171 R16 2.66650 -0.00054 0.00165 0.00111 0.00274 2.66923 R17 2.57252 -0.00023 0.00086 -0.00021 0.00065 2.57317 R18 4.01814 -0.00008 0.00086 0.00092 0.00177 4.01991 R19 2.02089 0.00035 0.00019 0.00087 0.00106 2.02195 A1 1.97635 0.00032 -0.00173 0.00192 0.00018 1.97654 A2 1.99177 -0.00212 -0.00366 -0.00852 -0.01218 1.97958 A3 1.89690 0.00108 0.00159 0.00436 0.00598 1.90288 A4 1.84071 0.00127 0.00026 0.00667 0.00687 1.84758 A5 1.91817 -0.00094 0.00100 -0.00601 -0.00502 1.91315 A6 1.83397 0.00035 0.00299 0.00127 0.00428 1.83826 A7 1.89825 0.00070 -0.00071 0.00343 0.00272 1.90097 A8 1.91692 -0.00032 0.00072 -0.00470 -0.00398 1.91294 A9 1.96295 -0.00068 0.00008 -0.00074 -0.00066 1.96229 A10 1.88253 -0.00005 0.00005 0.00108 0.00114 1.88367 A11 1.89312 0.00010 0.00031 0.00084 0.00115 1.89427 A12 1.90821 0.00029 -0.00047 0.00025 -0.00022 1.90799 A13 1.98597 0.00012 -0.00173 0.00062 -0.00110 1.98487 A14 2.10490 0.00011 -0.00003 0.00080 0.00049 2.10539 A15 2.18893 -0.00034 -0.00023 -0.00076 -0.00127 2.18766 A16 1.98884 0.00024 0.00014 0.00133 0.00129 1.99013 A17 2.21041 -0.00029 0.00004 -0.00098 -0.00090 2.20951 A18 2.05248 0.00022 -0.00023 0.00069 0.00044 2.05292 A19 2.02022 0.00006 0.00022 0.00026 0.00045 2.02067 A20 2.10768 -0.00029 0.00006 -0.00061 -0.00055 2.10713 A21 2.04369 -0.00010 -0.00000 0.00031 0.00029 2.04399 A22 2.13181 0.00040 -0.00005 0.00030 0.00025 2.13206 A23 1.99683 0.00138 -0.00082 0.00253 0.00173 1.99856 A24 2.19151 -0.00163 0.00049 -0.00325 -0.00275 2.18876 A25 2.08992 0.00026 0.00048 0.00068 0.00113 2.09105 A26 2.12816 -0.00012 -0.00092 -0.00129 -0.00232 2.12584 A27 2.14344 -0.00054 0.00093 0.00123 0.00206 2.14550 A28 2.01026 0.00066 -0.00034 0.00046 0.00002 2.01027 A29 2.10330 0.00001 0.00051 0.00069 0.00125 2.10454 A30 2.04338 0.00002 -0.00057 -0.00023 -0.00084 2.04255 A31 2.13636 -0.00004 0.00005 -0.00056 -0.00055 2.13581 D1 1.23844 -0.00052 -0.01755 -0.10721 -0.12477 1.11367 D2 -2.98823 -0.00036 -0.01749 -0.10658 -0.12409 -3.11232 D3 -0.85886 -0.00068 -0.01752 -0.11012 -0.12765 -0.98650 D4 -2.93855 -0.00020 -0.02144 -0.10333 -0.12475 -3.06330 D5 -0.88204 -0.00003 -0.02138 -0.10271 -0.12407 -1.00610 D6 1.24733 -0.00036 -0.02141 -0.10624 -0.12762 1.11971 D7 -0.89840 -0.00031 -0.01883 -0.10397 -0.12280 -1.02120 D8 1.15811 -0.00015 -0.01876 -0.10334 -0.12211 1.03600 D9 -2.99570 -0.00047 -0.01879 -0.10687 -0.12567 -3.12137 D10 -1.12890 -0.00098 -0.00413 -0.02022 -0.02436 -1.15326 D11 2.96450 0.00057 0.00148 -0.01551 -0.01403 2.95047 D12 0.99607 -0.00006 -0.00254 -0.01765 -0.02019 0.97588 D13 1.84104 0.00020 -0.00407 -0.00212 -0.00618 1.83486 D14 -1.40799 0.00043 -0.00240 -0.00246 -0.00486 -1.41284 D15 -2.26194 0.00017 -0.00852 -0.00028 -0.00882 -2.27076 D16 0.77221 0.00040 -0.00685 -0.00062 -0.00749 0.76472 D17 -0.23515 -0.00018 -0.00599 -0.00358 -0.00955 -0.24470 D18 2.79901 0.00005 -0.00432 -0.00392 -0.00822 2.79078 D19 -3.12381 0.00053 -0.00481 0.02945 0.02466 -3.09915 D20 0.00429 0.00045 -0.00299 0.02692 0.02395 0.02824 D21 0.05064 -0.00018 0.00066 -0.01366 -0.01300 0.03764 D22 -3.10445 -0.00026 0.00248 -0.01619 -0.01371 -3.11816 D23 3.12777 -0.00028 0.00121 -0.02329 -0.02206 3.10572 D24 -0.03176 -0.00045 0.00040 -0.02954 -0.02911 -0.06087 D25 -0.04852 0.00048 -0.00457 0.02228 0.01771 -0.03080 D26 3.07513 0.00032 -0.00537 0.01603 0.01066 3.08580 D27 3.13541 0.00018 0.00099 0.00537 0.00636 -3.14141 D28 -0.00451 -0.00008 -0.00059 0.00151 0.00092 -0.00359 D29 0.00710 0.00026 -0.00080 0.00786 0.00706 0.01416 D30 -3.13283 0.00000 -0.00238 0.00400 0.00162 -3.13121 D31 2.99503 0.00012 0.00578 0.00237 0.00816 3.00319 D32 -0.04593 0.00004 0.00421 0.00296 0.00718 -0.03875 D33 -0.14488 -0.00014 0.00418 -0.00155 0.00264 -0.14224 D34 3.09735 -0.00023 0.00261 -0.00096 0.00165 3.09901 D35 -2.98200 -0.00001 -0.01011 0.00676 -0.00336 -2.98535 D36 0.21764 -0.00017 0.00369 -0.00197 0.00174 0.21938 D37 0.04689 0.00029 -0.00844 0.00649 -0.00195 0.04495 D38 -3.03665 0.00013 0.00536 -0.00223 0.00315 -3.03350 D39 0.00295 -0.00056 0.00859 -0.01978 -0.01119 -0.00823 D40 -3.11972 -0.00039 0.00945 -0.01320 -0.00375 -3.12347 D41 3.09064 -0.00045 -0.00422 -0.01165 -0.01584 3.07480 D42 -0.03203 -0.00029 -0.00336 -0.00507 -0.00840 -0.04043 Item Value Threshold Converged? Maximum Force 0.002115 0.000450 NO RMS Force 0.000505 0.000300 NO Maximum Displacement 0.219593 0.001800 NO RMS Displacement 0.045227 0.001200 NO Predicted change in Energy=-3.037258D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.028043 -4.954140 2.101705 2 6 0 7.317548 -4.996427 3.610175 3 8 0 6.872852 -6.257888 1.517100 4 8 0 2.697045 -2.040045 0.189050 5 6 0 3.593299 -2.718126 0.701429 6 7 0 4.914277 -2.262309 0.710305 7 6 0 6.013060 -2.934907 1.203558 8 8 0 7.142685 -2.424632 1.155709 9 7 0 5.789886 -4.204488 1.757984 10 6 0 4.475606 -4.716420 1.833772 11 6 0 3.409247 -4.032587 1.334387 12 1 0 7.826618 -4.427876 1.605362 13 1 0 8.276714 -5.491044 3.772645 14 1 0 7.394353 -3.982056 3.995654 15 1 0 5.097733 -1.361993 0.310820 16 53 0 3.999526 -6.538144 2.823638 17 1 0 2.408102 -4.404158 1.401268 18 1 0 6.554740 -5.533519 4.163015 19 1 0 7.672668 -6.781240 1.526426 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.536581 0.000000 3 O 1.437222 2.483949 0.000000 4 O 5.559473 6.464777 6.082046 0.000000 5 C 4.331051 5.246093 4.893946 1.235151 0.000000 6 N 3.694584 4.654068 4.522343 2.288499 1.397437 7 C 2.431905 3.426858 3.446702 3.581335 2.480800 8 O 2.703047 3.559369 3.859698 4.565748 3.590355 9 N 1.487668 2.528148 2.333943 4.088035 2.854921 10 C 2.577448 3.363131 2.867612 3.609899 2.460456 11 C 3.812311 4.624176 4.120910 2.406087 1.470484 12 H 1.077512 2.145152 2.065528 5.832683 4.654173 13 H 2.153946 1.091349 2.765206 7.475577 6.249465 14 H 2.160133 1.087861 3.405086 6.350303 5.186275 15 H 4.453862 5.387247 5.345648 2.497575 2.062763 16 I 3.493161 3.742299 3.168847 5.373119 4.388773 17 H 4.704992 5.415969 4.835672 2.672450 2.176505 18 H 2.192873 1.084424 2.761661 6.548173 5.355291 19 H 2.021084 2.766528 0.955871 7.001738 5.816422 6 7 8 9 10 6 N 0.000000 7 C 1.379496 0.000000 8 O 2.278275 1.240453 0.000000 9 N 2.374106 1.403222 2.315316 0.000000 10 C 2.734459 2.436128 3.581253 1.412498 0.000000 11 C 2.405926 2.828756 4.068907 2.424133 1.361665 12 H 3.737985 2.383148 2.164009 2.054622 3.371159 13 H 5.577511 4.272959 4.187750 3.449406 4.336784 14 H 4.461146 3.286380 3.248721 2.762419 3.705687 15 H 1.001905 2.027033 2.454561 3.263914 3.736121 16 I 4.856512 4.434219 5.438972 3.128411 2.127244 17 H 3.368361 3.897885 5.137617 3.406403 2.135214 18 H 5.031215 3.975498 4.365174 2.852279 3.227355 19 H 5.356819 4.201526 4.404355 3.199709 3.818266 11 12 13 14 15 11 C 0.000000 12 H 4.443292 0.000000 13 H 5.635994 2.455612 0.000000 14 H 4.792282 2.469636 1.762197 0.000000 15 H 3.321257 4.303753 6.256134 5.071212 0.000000 16 I 2.973905 4.536966 4.504594 4.408181 5.857717 17 H 1.069967 5.422410 6.422255 5.636640 4.204516 18 H 4.488658 3.062957 1.766179 1.772004 5.862073 19 H 5.076290 2.359715 2.659883 3.742991 6.121783 16 17 18 19 16 I 0.000000 17 H 3.018222 0.000000 18 H 3.054885 5.108553 0.000000 19 H 3.903054 5.777702 3.123807 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.167469 2.110996 -0.213869 2 6 0 0.506810 2.641461 1.060899 3 8 0 0.747732 1.932899 -1.307623 4 8 0 -3.083269 -2.619531 -0.046635 5 6 0 -2.361391 -1.617856 -0.012941 6 7 0 -2.920911 -0.338683 0.046097 7 6 0 -2.236796 0.859220 0.041290 8 8 0 -2.846854 1.937793 0.098147 9 7 0 -0.836599 0.795736 -0.025418 10 6 0 -0.190400 -0.460232 -0.036392 11 6 0 -0.891117 -1.627762 -0.035706 12 1 0 -0.951542 2.790240 -0.505226 13 1 0 0.902540 3.639083 0.862937 14 1 0 -0.230850 2.725553 1.856028 15 1 0 -3.919698 -0.269853 0.084831 16 53 0 1.924024 -0.673625 0.057647 17 1 0 -0.411123 -2.583989 -0.027581 18 1 0 1.321338 2.007136 1.392791 19 1 0 1.119958 2.750337 -1.634628 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8372118 0.4605887 0.3161471 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.4432617881 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2609. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.90D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999999 -0.000557 0.000701 -0.000745 Ang= -0.13 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.395492030 A.U. after 13 cycles NFock= 13 Conv=0.64D-08 -V/T= 2.3641 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2609. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.000205582 -0.001404426 0.000490989 2 6 0.000766729 -0.000395214 0.000261868 3 8 -0.000992474 0.001575385 0.000367744 4 8 -0.000145966 0.000511823 0.001589448 5 6 0.000802136 -0.002055136 -0.003555542 6 7 -0.000308884 -0.000121509 0.001233424 7 6 -0.000656858 -0.000318581 0.000442652 8 8 0.000198161 -0.000029504 -0.000047453 9 7 -0.000959614 0.000150981 -0.001755737 10 6 0.000142995 0.001220098 0.001099818 11 6 0.000203083 0.000562530 0.001069576 12 1 -0.000386899 0.000102693 -0.000160520 13 1 -0.000409955 -0.000033711 0.000460568 14 1 -0.000057557 0.000072543 -0.000217441 15 1 0.000207223 0.000357238 -0.000169785 16 53 0.000305689 0.000041388 -0.000450212 17 1 0.000089636 -0.000095006 -0.000218032 18 1 0.000103830 0.000241079 -0.000163797 19 1 0.000893143 -0.000382670 -0.000277568 ------------------------------------------------------------------- Cartesian Forces: Max 0.003555542 RMS 0.000837083 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001153515 RMS 0.000388493 Search for a local minimum. Step number 8 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 7 8 DE= -2.50D-04 DEPred=-3.04D-04 R= 8.24D-01 TightC=F SS= 1.41D+00 RLast= 3.82D-01 DXNew= 1.9885D+00 1.1472D+00 Trust test= 8.24D-01 RLast= 3.82D-01 DXMaxT set to 1.18D+00 ITU= 1 1 1 0 1 1 0 0 Eigenvalues --- 0.00159 0.00986 0.01402 0.01438 0.01767 Eigenvalues --- 0.01931 0.01980 0.02169 0.02309 0.02384 Eigenvalues --- 0.03694 0.04211 0.05403 0.05554 0.05876 Eigenvalues --- 0.05896 0.08478 0.14145 0.14987 0.15964 Eigenvalues --- 0.15997 0.16020 0.16073 0.16174 0.18716 Eigenvalues --- 0.21361 0.23440 0.23488 0.24750 0.24949 Eigenvalues --- 0.25021 0.27131 0.30350 0.33246 0.34811 Eigenvalues --- 0.34857 0.34980 0.35276 0.37768 0.42063 Eigenvalues --- 0.42312 0.42800 0.43763 0.45802 0.48166 Eigenvalues --- 0.49145 0.54400 0.58899 0.88724 0.95040 Eigenvalues --- 1.17237 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 8 7 RFO step: Lambda=-2.57895004D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.57492 -0.57492 Iteration 1 RMS(Cart)= 0.02858059 RMS(Int)= 0.00104074 Iteration 2 RMS(Cart)= 0.00107024 RMS(Int)= 0.00009244 Iteration 3 RMS(Cart)= 0.00000106 RMS(Int)= 0.00009244 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00009244 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90372 0.00041 -0.00239 0.00170 -0.00070 2.90302 R2 2.71596 -0.00111 0.00148 -0.00281 -0.00133 2.71463 R3 2.81128 0.00039 -0.00072 0.00114 0.00042 2.81170 R4 2.03620 -0.00016 -0.00013 -0.00054 -0.00067 2.03553 R5 2.06235 -0.00028 0.00086 -0.00087 -0.00002 2.06233 R6 2.05576 -0.00001 0.00011 0.00009 0.00020 2.05596 R7 2.04927 -0.00028 0.00093 -0.00144 -0.00050 2.04876 R8 1.80633 0.00095 -0.00030 0.00237 0.00208 1.80841 R9 2.33410 -0.00027 0.00042 -0.00056 -0.00014 2.33396 R10 2.64077 -0.00020 -0.00032 -0.00007 -0.00034 2.64043 R11 2.77881 -0.00048 0.00087 -0.00144 -0.00051 2.77830 R12 2.60687 -0.00039 0.00066 -0.00116 -0.00050 2.60637 R13 1.89333 0.00043 -0.00043 0.00108 0.00065 1.89397 R14 2.34412 0.00017 -0.00060 0.00039 -0.00021 2.34390 R15 2.65171 -0.00076 0.00108 -0.00152 -0.00050 2.65121 R16 2.66923 -0.00115 0.00157 -0.00234 -0.00081 2.66842 R17 2.57317 -0.00068 0.00038 -0.00146 -0.00108 2.57209 R18 4.01991 -0.00031 0.00102 -0.00192 -0.00090 4.01901 R19 2.02195 -0.00006 0.00061 -0.00025 0.00036 2.02231 A1 1.97654 0.00046 0.00010 0.00459 0.00470 1.98123 A2 1.97958 0.00025 -0.00700 0.00448 -0.00252 1.97706 A3 1.90288 0.00005 0.00344 -0.00092 0.00253 1.90541 A4 1.84758 -0.00054 0.00395 -0.00298 0.00097 1.84855 A5 1.91315 -0.00009 -0.00289 -0.00053 -0.00343 1.90972 A6 1.83826 -0.00020 0.00246 -0.00546 -0.00298 1.83528 A7 1.90097 0.00083 0.00157 0.00462 0.00619 1.90716 A8 1.91294 -0.00044 -0.00229 -0.00339 -0.00568 1.90726 A9 1.96229 -0.00017 -0.00038 0.00016 -0.00023 1.96206 A10 1.88367 -0.00006 0.00066 0.00072 0.00139 1.88506 A11 1.89427 -0.00029 0.00066 -0.00160 -0.00095 1.89332 A12 1.90799 0.00013 -0.00013 -0.00044 -0.00058 1.90741 A13 1.98487 -0.00004 -0.00063 0.00056 -0.00007 1.98480 A14 2.10539 0.00015 0.00028 0.00053 0.00026 2.10564 A15 2.18766 -0.00011 -0.00073 0.00007 -0.00122 2.18644 A16 1.99013 -0.00003 0.00074 -0.00028 0.00012 1.99025 A17 2.20951 -0.00015 -0.00052 -0.00038 -0.00084 2.20868 A18 2.05292 0.00019 0.00025 0.00081 0.00102 2.05394 A19 2.02067 -0.00005 0.00026 -0.00051 -0.00029 2.02038 A20 2.10713 0.00014 -0.00032 0.00041 0.00011 2.10724 A21 2.04399 -0.00009 0.00017 -0.00044 -0.00032 2.04367 A22 2.13206 -0.00005 0.00014 0.00004 0.00020 2.13226 A23 1.99856 0.00034 0.00099 0.00094 0.00196 2.00052 A24 2.18876 -0.00051 -0.00158 0.00026 -0.00129 2.18747 A25 2.09105 0.00018 0.00065 -0.00038 0.00018 2.09122 A26 2.12584 0.00020 -0.00133 0.00100 -0.00040 2.12544 A27 2.14550 -0.00048 0.00118 -0.00038 0.00076 2.14625 A28 2.01027 0.00031 0.00001 0.00049 0.00046 2.01074 A29 2.10454 -0.00015 0.00072 -0.00112 -0.00032 2.10422 A30 2.04255 0.00009 -0.00048 0.00093 0.00040 2.04294 A31 2.13581 0.00006 -0.00031 0.00040 0.00003 2.13585 D1 1.11367 0.00003 -0.07173 -0.00768 -0.07941 1.03426 D2 -3.11232 0.00019 -0.07134 -0.00606 -0.07741 3.09346 D3 -0.98650 -0.00006 -0.07339 -0.00890 -0.08228 -1.06879 D4 -3.06330 -0.00014 -0.07172 -0.00476 -0.07647 -3.13977 D5 -1.00610 0.00003 -0.07133 -0.00314 -0.07447 -1.08057 D6 1.11971 -0.00023 -0.07337 -0.00598 -0.07934 1.04037 D7 -1.02120 -0.00020 -0.07060 -0.00945 -0.08005 -1.10125 D8 1.03600 -0.00004 -0.07021 -0.00783 -0.07805 0.95795 D9 -3.12137 -0.00029 -0.07225 -0.01067 -0.08292 3.07889 D10 -1.15326 -0.00021 -0.01400 -0.00945 -0.02345 -1.17671 D11 2.95047 -0.00044 -0.00806 -0.01593 -0.02400 2.92647 D12 0.97588 0.00011 -0.01161 -0.00786 -0.01947 0.95641 D13 1.83486 -0.00022 -0.00356 -0.00358 -0.00712 1.82773 D14 -1.41284 -0.00000 -0.00279 0.00550 0.00271 -1.41014 D15 -2.27076 0.00015 -0.00507 0.00298 -0.00210 -2.27286 D16 0.76472 0.00036 -0.00431 0.01205 0.00773 0.77245 D17 -0.24470 -0.00028 -0.00549 -0.00140 -0.00689 -0.25159 D18 2.79078 -0.00007 -0.00473 0.00767 0.00294 2.79373 D19 -3.09915 -0.00064 0.01418 -0.03530 -0.02112 -3.12027 D20 0.02824 -0.00078 0.01377 -0.04215 -0.02838 -0.00015 D21 0.03764 0.00062 -0.00747 0.03328 0.02581 0.06345 D22 -3.11816 0.00048 -0.00788 0.02643 0.01855 -3.09961 D23 3.10572 0.00080 -0.01268 0.04562 0.03292 3.13864 D24 -0.06087 0.00099 -0.01673 0.05506 0.03832 -0.02255 D25 -0.03080 -0.00053 0.01018 -0.02673 -0.01654 -0.04735 D26 3.08580 -0.00033 0.00613 -0.01729 -0.01115 3.07465 D27 -3.14141 -0.00030 0.00366 -0.01469 -0.01103 3.13075 D28 -0.00359 -0.00024 0.00053 -0.01316 -0.01262 -0.01622 D29 0.01416 -0.00016 0.00406 -0.00796 -0.00389 0.01027 D30 -3.13121 -0.00010 0.00093 -0.00642 -0.00549 -3.13670 D31 3.00319 -0.00012 0.00469 -0.00636 -0.00165 3.00154 D32 -0.03875 -0.00027 0.00413 -0.01492 -0.01079 -0.04954 D33 -0.14224 -0.00006 0.00152 -0.00480 -0.00328 -0.14551 D34 3.09901 -0.00021 0.00095 -0.01336 -0.01241 3.08659 D35 -2.98535 0.00012 -0.00193 0.01041 0.00849 -2.97687 D36 0.21938 -0.00039 0.00100 -0.01201 -0.01100 0.20839 D37 0.04495 0.00035 -0.00112 0.02000 0.01888 0.06383 D38 -3.03350 -0.00017 0.00181 -0.00241 -0.00060 -3.03410 D39 -0.00823 0.00008 -0.00643 0.00208 -0.00434 -0.01258 D40 -3.12347 -0.00012 -0.00215 -0.00788 -0.01004 -3.13350 D41 3.07480 0.00053 -0.00911 0.02283 0.01373 3.08854 D42 -0.04043 0.00033 -0.00483 0.01287 0.00804 -0.03239 Item Value Threshold Converged? Maximum Force 0.001154 0.000450 NO RMS Force 0.000388 0.000300 NO Maximum Displacement 0.143342 0.001800 NO RMS Displacement 0.028575 0.001200 NO Predicted change in Energy=-1.363953D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.028797 -4.955123 2.101950 2 6 0 7.316611 -4.992232 3.610503 3 8 0 6.876476 -6.257509 1.515279 4 8 0 2.693273 -2.044488 0.196318 5 6 0 3.595052 -2.730659 0.687619 6 7 0 4.911537 -2.263248 0.714410 7 6 0 6.011087 -2.933292 1.208681 8 8 0 7.138622 -2.418094 1.167693 9 7 0 5.790565 -4.205320 1.757867 10 6 0 4.476888 -4.716685 1.839671 11 6 0 3.411132 -4.039447 1.331645 12 1 0 7.824821 -4.428370 1.602807 13 1 0 8.235355 -5.553793 3.788210 14 1 0 7.467404 -3.977387 3.972476 15 1 0 5.092467 -1.358527 0.322948 16 53 0 4.004893 -6.543132 2.821737 17 1 0 2.410859 -4.414559 1.394761 18 1 0 6.515133 -5.457665 4.173000 19 1 0 7.683029 -6.772470 1.506425 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.536212 0.000000 3 O 1.436521 2.486888 0.000000 4 O 5.558777 6.459188 6.081808 0.000000 5 C 4.328877 5.244804 4.887887 1.235076 0.000000 6 N 3.695166 4.649634 4.522886 2.288442 1.397256 7 C 2.433406 3.422335 3.448670 3.580885 2.479877 8 O 2.705811 3.553194 3.864019 4.565554 3.589577 9 N 1.487890 2.525928 2.334423 4.086667 2.853127 10 C 2.576409 3.357946 2.870086 3.608674 2.459503 11 C 3.810424 4.621013 4.118511 2.405026 1.470212 12 H 1.077157 2.146406 2.062224 5.830428 4.648735 13 H 2.158162 1.091339 2.740070 7.478742 6.254292 14 H 2.155739 1.087967 3.403817 6.386532 5.228741 15 H 4.455304 5.381324 5.348305 2.498541 2.063488 16 I 3.490539 3.740979 3.167713 5.371310 4.388323 17 H 4.702943 5.413837 4.832466 2.670817 2.176667 18 H 2.192178 1.084158 2.798893 6.486169 5.302011 19 H 2.021242 2.780405 0.956969 6.997704 5.806740 6 7 8 9 10 6 N 0.000000 7 C 1.379229 0.000000 8 O 2.278015 1.240340 0.000000 9 N 2.373423 1.402958 2.315111 0.000000 10 C 2.733950 2.435653 3.580489 1.412067 0.000000 11 C 2.405635 2.828156 4.068151 2.422990 1.361094 12 H 3.736874 2.383323 2.168272 2.052314 3.368662 13 H 5.596758 4.297484 4.231139 3.452198 4.315511 14 H 4.481710 3.293867 3.225879 2.787156 3.746813 15 H 1.002247 2.026887 2.454186 3.263520 3.735855 16 I 4.855949 4.433702 5.438020 3.128228 2.126768 17 H 3.368146 3.897489 5.137040 3.405589 2.134877 18 H 4.973697 3.926030 4.319676 2.815357 3.185580 19 H 5.351779 4.198015 4.401330 3.199203 3.823172 11 12 13 14 15 11 C 0.000000 12 H 4.439081 0.000000 13 H 5.621485 2.492208 0.000000 14 H 4.840577 2.438537 1.763167 0.000000 15 H 3.321399 4.304386 6.283792 5.081123 0.000000 16 I 2.973443 4.533195 4.450806 4.460519 5.857209 17 H 1.070158 5.417975 6.399313 5.692485 4.204657 18 H 4.440660 3.062780 1.765353 1.771512 5.800846 19 H 5.074354 2.350361 2.645143 3.733683 6.117386 16 17 18 19 16 I 0.000000 17 H 3.017951 0.000000 18 H 3.050484 5.064755 0.000000 19 H 3.912969 5.776503 3.194263 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.166236 2.109598 -0.217088 2 6 0 0.501961 2.639807 1.060542 3 8 0 0.748230 1.931098 -1.310469 4 8 0 -3.080040 -2.621029 -0.041266 5 6 0 -2.360109 -1.617532 -0.031059 6 7 0 -2.920338 -0.339848 0.046333 7 6 0 -2.236998 0.858194 0.042534 8 8 0 -2.847218 1.936239 0.104936 9 7 0 -0.837215 0.795167 -0.027677 10 6 0 -0.190085 -0.459883 -0.029779 11 6 0 -0.889950 -1.627223 -0.038915 12 1 0 -0.950534 2.786058 -0.512966 13 1 0 0.970011 3.602771 0.849232 14 1 0 -0.256680 2.795094 1.824756 15 1 0 -3.919176 -0.271425 0.092592 16 53 0 1.924216 -0.672085 0.058800 17 1 0 -0.409500 -2.583452 -0.033274 18 1 0 1.260569 1.965104 1.440922 19 1 0 1.105468 2.750857 -1.651302 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8377560 0.4606800 0.3163597 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.5124832794 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2609. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.85D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 0.000159 0.000173 -0.000193 Ang= 0.03 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.395525865 A.U. after 13 cycles NFock= 13 Conv=0.72D-08 -V/T= 2.3641 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2609. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.000513285 -0.000684659 -0.000427308 2 6 0.000558746 -0.000190700 0.000296044 3 8 -0.000490396 0.000233551 0.000658382 4 8 0.000281755 -0.000621074 -0.001211251 5 6 -0.000730085 0.001508657 0.003250749 6 7 0.000150611 -0.000660076 -0.000835343 7 6 -0.000536667 -0.000506486 0.000484113 8 8 0.000507586 -0.000083305 -0.000041935 9 7 -0.000854522 0.000305038 -0.000802865 10 6 0.000501143 0.000038624 -0.000554733 11 6 -0.000023907 -0.000448614 -0.000876421 12 1 0.000300242 0.000261365 0.000168026 13 1 -0.000343415 0.000233390 0.000012408 14 1 -0.000286314 0.000002304 0.000075904 15 1 0.000032204 0.000048606 -0.000063429 16 53 0.000217058 0.000092530 0.000096933 17 1 0.000188026 0.000165183 -0.000022230 18 1 0.000211747 -0.000052252 0.000037565 19 1 -0.000197097 0.000357918 -0.000244608 ------------------------------------------------------------------- Cartesian Forces: Max 0.003250749 RMS 0.000641355 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000848119 RMS 0.000294861 Search for a local minimum. Step number 9 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 8 9 DE= -3.38D-05 DEPred=-1.36D-04 R= 2.48D-01 Trust test= 2.48D-01 RLast= 2.54D-01 DXMaxT set to 1.18D+00 ITU= 0 1 1 1 0 1 1 0 0 Eigenvalues --- 0.00205 0.00986 0.01350 0.01407 0.01770 Eigenvalues --- 0.01931 0.01981 0.02175 0.02306 0.02611 Eigenvalues --- 0.04097 0.05310 0.05347 0.05546 0.05861 Eigenvalues --- 0.05941 0.08462 0.14140 0.14993 0.15859 Eigenvalues --- 0.16002 0.16015 0.16046 0.16170 0.18597 Eigenvalues --- 0.21247 0.23427 0.23480 0.24754 0.24961 Eigenvalues --- 0.24990 0.27235 0.30174 0.33203 0.34807 Eigenvalues --- 0.34836 0.34986 0.35226 0.37740 0.42079 Eigenvalues --- 0.42165 0.42811 0.43736 0.45848 0.48162 Eigenvalues --- 0.49119 0.54228 0.58353 0.88698 0.95001 Eigenvalues --- 1.16742 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 9 8 7 RFO step: Lambda=-1.12068265D-04. DidBck=T Rises=F RFO-DIIS coefs: 0.60943 0.33614 0.05443 Iteration 1 RMS(Cart)= 0.01412294 RMS(Int)= 0.00024764 Iteration 2 RMS(Cart)= 0.00025566 RMS(Int)= 0.00000980 Iteration 3 RMS(Cart)= 0.00000006 RMS(Int)= 0.00000980 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90302 0.00044 0.00050 0.00150 0.00199 2.90501 R2 2.71463 -0.00063 0.00038 -0.00188 -0.00151 2.71312 R3 2.81170 0.00027 -0.00010 0.00118 0.00108 2.81278 R4 2.03553 0.00027 0.00027 0.00016 0.00044 2.03597 R5 2.06233 -0.00041 -0.00007 -0.00099 -0.00106 2.06127 R6 2.05596 -0.00001 -0.00009 -0.00004 -0.00013 2.05583 R7 2.04876 -0.00011 0.00011 -0.00029 -0.00018 2.04858 R8 1.80841 -0.00036 -0.00078 -0.00006 -0.00085 1.80756 R9 2.33396 -0.00007 0.00002 -0.00008 -0.00006 2.33390 R10 2.64043 0.00003 0.00016 -0.00014 0.00002 2.64045 R11 2.77830 -0.00015 0.00012 -0.00056 -0.00045 2.77785 R12 2.60637 -0.00004 0.00013 -0.00028 -0.00014 2.60622 R13 1.89397 0.00007 -0.00021 0.00035 0.00014 1.89411 R14 2.34390 0.00043 0.00014 0.00030 0.00044 2.34434 R15 2.65121 -0.00085 0.00009 -0.00138 -0.00128 2.64992 R16 2.66842 -0.00072 0.00017 -0.00124 -0.00107 2.66735 R17 2.57209 0.00003 0.00039 -0.00027 0.00012 2.57221 R18 4.01901 -0.00008 0.00025 -0.00077 -0.00052 4.01849 R19 2.02231 -0.00023 -0.00020 -0.00020 -0.00039 2.02191 A1 1.98123 0.00010 -0.00184 0.00170 -0.00014 1.98109 A2 1.97706 0.00042 0.00165 -0.00025 0.00140 1.97846 A3 1.90541 -0.00028 -0.00131 0.00108 -0.00023 1.90518 A4 1.84855 -0.00058 -0.00075 -0.00255 -0.00330 1.84525 A5 1.90972 0.00034 0.00161 0.00122 0.00283 1.91255 A6 1.83528 -0.00000 0.00093 -0.00145 -0.00052 1.83476 A7 1.90716 0.00010 -0.00256 0.00340 0.00083 1.90799 A8 1.90726 0.00000 0.00243 -0.00105 0.00139 1.90864 A9 1.96206 0.00013 0.00013 -0.00083 -0.00070 1.96136 A10 1.88506 0.00003 -0.00061 0.00084 0.00023 1.88529 A11 1.89332 -0.00014 0.00031 -0.00090 -0.00059 1.89273 A12 1.90741 -0.00012 0.00024 -0.00137 -0.00113 1.90628 A13 1.98480 -0.00012 0.00009 -0.00092 -0.00083 1.98397 A14 2.10564 0.00003 -0.00013 0.00023 0.00015 2.10580 A15 2.18644 0.00011 0.00054 -0.00020 0.00040 2.18684 A16 1.99025 -0.00009 -0.00012 0.00017 0.00009 1.99034 A17 2.20868 -0.00001 0.00038 -0.00016 0.00021 2.20889 A18 2.05394 0.00002 -0.00042 0.00046 0.00004 2.05398 A19 2.02038 -0.00001 0.00009 -0.00030 -0.00020 2.02018 A20 2.10724 0.00031 -0.00001 0.00065 0.00063 2.10787 A21 2.04367 -0.00005 0.00011 -0.00022 -0.00011 2.04356 A22 2.13226 -0.00026 -0.00009 -0.00041 -0.00051 2.13175 A23 2.00052 -0.00017 -0.00086 -0.00040 -0.00127 1.99926 A24 2.18747 -0.00010 0.00065 0.00042 0.00107 2.18854 A25 2.09122 0.00026 -0.00013 0.00059 0.00048 2.09170 A26 2.12544 0.00009 0.00028 -0.00003 0.00027 2.12572 A27 2.14625 -0.00048 -0.00041 -0.00036 -0.00075 2.14550 A28 2.01074 0.00038 -0.00018 0.00048 0.00032 2.01105 A29 2.10422 -0.00016 0.00006 -0.00031 -0.00026 2.10396 A30 2.04294 -0.00001 -0.00011 -0.00014 -0.00024 2.04270 A31 2.13585 0.00017 0.00002 0.00046 0.00048 2.13633 D1 1.03426 0.00028 0.03780 0.00223 0.04003 1.07429 D2 3.09346 0.00038 0.03699 0.00461 0.04160 3.13506 D3 -1.06879 0.00031 0.03908 0.00159 0.04067 -1.02812 D4 -3.13977 -0.00009 0.03666 -0.00005 0.03660 -3.10317 D5 -1.08057 0.00000 0.03584 0.00233 0.03817 -1.04240 D6 1.04037 -0.00007 0.03793 -0.00070 0.03723 1.07761 D7 -1.10125 -0.00002 0.03795 -0.00130 0.03665 -1.06460 D8 0.95795 0.00007 0.03713 0.00108 0.03822 0.99617 D9 3.07889 0.00000 0.03923 -0.00195 0.03728 3.11617 D10 -1.17671 -0.00010 0.01048 -0.01412 -0.00364 -1.18035 D11 2.92647 -0.00028 0.01014 -0.01306 -0.00292 2.92355 D12 0.95641 -0.00014 0.00870 -0.01066 -0.00195 0.95446 D13 1.82773 -0.00007 0.00312 -0.00216 0.00096 1.82869 D14 -1.41014 -0.00007 -0.00079 0.00523 0.00444 -1.40570 D15 -2.27286 -0.00009 0.00130 -0.00201 -0.00071 -2.27357 D16 0.77245 -0.00009 -0.00261 0.00538 0.00277 0.77522 D17 -0.25159 0.00004 0.00321 -0.00240 0.00081 -0.25078 D18 2.79373 0.00004 -0.00070 0.00499 0.00429 2.79801 D19 -3.12027 0.00057 0.00691 0.00199 0.00890 -3.11137 D20 -0.00015 0.00066 0.00978 0.00217 0.01196 0.01181 D21 0.06345 -0.00059 -0.00937 -0.00300 -0.01237 0.05108 D22 -3.09961 -0.00050 -0.00650 -0.00281 -0.00931 -3.10892 D23 3.13864 -0.00070 -0.01166 -0.00238 -0.01403 3.12461 D24 -0.02255 -0.00078 -0.01338 -0.00170 -0.01508 -0.03763 D25 -0.04735 0.00052 0.00550 0.00289 0.00838 -0.03896 D26 3.07465 0.00044 0.00377 0.00356 0.00733 3.08198 D27 3.13075 0.00015 0.00396 0.00027 0.00422 3.13497 D28 -0.01622 0.00026 0.00488 0.00260 0.00748 -0.00873 D29 0.01027 0.00006 0.00114 0.00007 0.00121 0.01148 D30 -3.13670 0.00017 0.00206 0.00241 0.00447 -3.13223 D31 3.00154 0.00013 0.00020 0.00500 0.00519 3.00673 D32 -0.04954 0.00015 0.00382 -0.00195 0.00188 -0.04766 D33 -0.14551 0.00025 0.00114 0.00737 0.00850 -0.13701 D34 3.08659 0.00026 0.00476 0.00043 0.00519 3.09178 D35 -2.97687 -0.00017 -0.00313 -0.00556 -0.00870 -2.98556 D36 0.20839 -0.00005 0.00420 -0.00837 -0.00418 0.20421 D37 0.06383 -0.00018 -0.00727 0.00214 -0.00514 0.05870 D38 -3.03410 -0.00006 0.00006 -0.00068 -0.00061 -3.03471 D39 -0.01258 -0.00016 0.00231 -0.00263 -0.00032 -0.01290 D40 -3.13350 -0.00007 0.00412 -0.00333 0.00080 -3.13270 D41 3.08854 -0.00029 -0.00450 -0.00004 -0.00454 3.08399 D42 -0.03239 -0.00020 -0.00268 -0.00074 -0.00342 -0.03581 Item Value Threshold Converged? Maximum Force 0.000848 0.000450 NO RMS Force 0.000295 0.000300 YES Maximum Displacement 0.076980 0.001800 NO RMS Displacement 0.014122 0.001200 NO Predicted change in Energy=-5.683076D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.029144 -4.955905 2.102018 2 6 0 7.315331 -4.993200 3.611951 3 8 0 6.874268 -6.257483 1.516177 4 8 0 2.695209 -2.041117 0.197655 5 6 0 3.594834 -2.724686 0.696395 6 7 0 4.913900 -2.264080 0.712476 7 6 0 6.012923 -2.936500 1.204476 8 8 0 7.142630 -2.426004 1.157841 9 7 0 5.790581 -4.207116 1.754463 10 6 0 4.476812 -4.716461 1.837646 11 6 0 3.410563 -4.035707 1.335217 12 1 0 7.825667 -4.428275 1.604098 13 1 0 8.253158 -5.521486 3.788554 14 1 0 7.426668 -3.976640 3.983078 15 1 0 5.096885 -1.361625 0.316572 16 53 0 4.004896 -6.542014 2.820818 17 1 0 2.409883 -4.408851 1.399979 18 1 0 6.530376 -5.492394 4.168582 19 1 0 7.680268 -6.772453 1.506004 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.537267 0.000000 3 O 1.435723 2.487009 0.000000 4 O 5.559279 6.458927 6.081182 0.000000 5 C 4.329965 5.242968 4.889517 1.235044 0.000000 6 N 3.694727 4.649938 4.520647 2.288524 1.397265 7 C 2.432341 3.423772 3.444996 3.580869 2.479953 8 O 2.702730 3.555697 3.857545 4.566141 3.590125 9 N 1.488461 2.528449 2.331343 4.086139 2.852790 10 C 2.577134 3.358859 2.868080 3.608483 2.459168 11 C 3.811676 4.620338 4.119015 2.405030 1.469975 12 H 1.077389 2.147337 2.063708 5.830798 4.650385 13 H 2.159282 1.090777 2.758030 7.476518 6.251681 14 H 2.157631 1.087900 3.404848 6.361005 5.201214 15 H 4.454244 5.382319 5.344863 2.498779 2.063579 16 I 3.489769 3.739478 3.164861 5.371624 4.387860 17 H 4.704221 5.412735 4.833392 2.670798 2.176132 18 H 2.192550 1.084060 2.781883 6.510613 5.322940 19 H 2.019664 2.780994 0.956521 6.996294 5.807809 6 7 8 9 10 6 N 0.000000 7 C 1.379154 0.000000 8 O 2.278554 1.240572 0.000000 9 N 2.372698 1.402279 2.314380 0.000000 10 C 2.733355 2.434913 3.579792 1.411503 0.000000 11 C 2.405512 2.828007 4.068283 2.422732 1.361157 12 H 3.735923 2.381413 2.162122 2.052582 3.369335 13 H 5.587808 4.286988 4.211405 3.453894 4.326072 14 H 4.465837 3.286517 3.235292 2.774280 3.721809 15 H 1.002321 2.026754 2.454732 3.262754 3.735382 16 I 4.855112 4.432207 5.436212 3.126904 2.126493 17 H 3.367908 3.897170 5.137043 3.405213 2.135035 18 H 4.997967 3.947946 4.340756 2.833233 3.201946 19 H 5.348636 4.193505 4.393391 3.195872 3.820892 11 12 13 14 15 11 C 0.000000 12 H 4.440669 0.000000 13 H 5.628244 2.479860 0.000000 14 H 4.810796 2.454123 1.762803 0.000000 15 H 3.321451 4.302129 6.270659 5.070449 0.000000 16 I 2.973519 4.532834 4.475011 4.431762 5.856630 17 H 1.069949 5.419663 6.409923 5.659270 4.204680 18 H 4.459050 3.063773 1.764439 1.770667 5.827189 19 H 5.074379 2.350730 2.665175 3.743899 6.112746 16 17 18 19 16 I 0.000000 17 H 3.018813 0.000000 18 H 3.048970 5.081111 0.000000 19 H 3.910268 5.777094 3.170193 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.164963 2.110137 -0.213777 2 6 0 0.504825 2.637105 1.065629 3 8 0 0.748943 1.930739 -1.306432 4 8 0 -3.082230 -2.619042 -0.040577 5 6 0 -2.360993 -1.616656 -0.021258 6 7 0 -2.920148 -0.337884 0.045371 7 6 0 -2.235586 0.859367 0.039952 8 8 0 -2.844318 1.938827 0.096802 9 7 0 -0.836521 0.794636 -0.029429 10 6 0 -0.190623 -0.460414 -0.031485 11 6 0 -0.891126 -1.627474 -0.035376 12 1 0 -0.949660 2.787703 -0.506900 13 1 0 0.940513 3.617253 0.867436 14 1 0 -0.246204 2.753826 1.843998 15 1 0 -3.919167 -0.268051 0.086996 16 53 0 1.923396 -0.672636 0.057181 17 1 0 -0.411687 -2.583972 -0.028934 18 1 0 1.288977 1.978913 1.422106 19 1 0 1.105551 2.750212 -1.647352 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8381190 0.4608902 0.3164745 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.5645833871 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2609. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.86D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000173 -0.000085 0.000267 Ang= -0.04 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.395585148 A.U. after 12 cycles NFock= 12 Conv=0.87D-08 -V/T= 2.3640 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2609. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.000032649 -0.000372736 -0.000006669 2 6 -0.000121674 0.000061898 -0.000117221 3 8 -0.000036455 0.000003318 0.000597752 4 8 0.000031526 0.000005725 -0.000047134 5 6 -0.000084955 0.000016231 0.000152792 6 7 0.000099482 0.000020812 -0.000016735 7 6 -0.000346023 -0.000398276 -0.000024123 8 8 0.000181293 0.000222902 -0.000008494 9 7 -0.000337765 0.000452552 -0.000093541 10 6 0.000271582 0.000106309 -0.000029932 11 6 -0.000040539 0.000035017 -0.000019945 12 1 0.000124976 -0.000024196 0.000187297 13 1 -0.000017571 -0.000011577 -0.000116425 14 1 -0.000000297 0.000064467 -0.000053893 15 1 -0.000017338 -0.000000782 -0.000014249 16 53 0.000058163 -0.000059531 -0.000057985 17 1 0.000063000 0.000027671 -0.000000631 18 1 0.000022143 -0.000048126 0.000004194 19 1 0.000183101 -0.000101678 -0.000335057 ------------------------------------------------------------------- Cartesian Forces: Max 0.000597752 RMS 0.000167594 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000354145 RMS 0.000106828 Search for a local minimum. Step number 10 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 7 8 9 10 DE= -5.93D-05 DEPred=-5.68D-05 R= 1.04D+00 TightC=F SS= 1.41D+00 RLast= 1.22D-01 DXNew= 1.9885D+00 3.6582D-01 Trust test= 1.04D+00 RLast= 1.22D-01 DXMaxT set to 1.18D+00 ITU= 1 0 1 1 1 0 1 1 0 0 Eigenvalues --- 0.00208 0.00939 0.01073 0.01420 0.01773 Eigenvalues --- 0.01930 0.01983 0.02174 0.02317 0.02587 Eigenvalues --- 0.04100 0.05262 0.05379 0.05575 0.05814 Eigenvalues --- 0.06087 0.08644 0.14147 0.15028 0.15983 Eigenvalues --- 0.16002 0.16022 0.16073 0.16185 0.18890 Eigenvalues --- 0.21714 0.23433 0.23519 0.24809 0.24986 Eigenvalues --- 0.25035 0.27748 0.30746 0.32892 0.34807 Eigenvalues --- 0.34841 0.35106 0.35227 0.37739 0.42087 Eigenvalues --- 0.42465 0.42791 0.43733 0.45861 0.48174 Eigenvalues --- 0.49111 0.53871 0.58275 0.88697 0.94622 Eigenvalues --- 1.15724 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 10 9 8 7 RFO step: Lambda=-1.56453181D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.57563 -0.42283 -0.06322 -0.08959 Iteration 1 RMS(Cart)= 0.00532669 RMS(Int)= 0.00002671 Iteration 2 RMS(Cart)= 0.00003340 RMS(Int)= 0.00000792 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000792 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90501 -0.00030 0.00067 -0.00157 -0.00090 2.90411 R2 2.71312 -0.00003 -0.00084 0.00007 -0.00077 2.71235 R3 2.81278 0.00035 0.00057 0.00131 0.00188 2.81467 R4 2.03597 -0.00001 0.00013 -0.00010 0.00003 2.03600 R5 2.06127 -0.00003 -0.00048 0.00008 -0.00040 2.06087 R6 2.05583 0.00004 -0.00003 0.00016 0.00014 2.05597 R7 2.04858 0.00001 -0.00004 0.00010 0.00006 2.04864 R8 1.80756 0.00021 -0.00022 0.00077 0.00055 1.80812 R9 2.33390 -0.00000 0.00001 -0.00001 0.00000 2.33390 R10 2.64045 -0.00002 -0.00009 -0.00004 -0.00013 2.64032 R11 2.77785 -0.00005 -0.00020 -0.00012 -0.00031 2.77754 R12 2.60622 -0.00004 -0.00006 -0.00014 -0.00020 2.60603 R13 1.89411 0.00000 0.00011 -0.00004 0.00007 1.89418 R14 2.34434 0.00026 0.00013 0.00030 0.00042 2.34476 R15 2.64992 -0.00011 -0.00065 0.00000 -0.00064 2.64928 R16 2.66735 -0.00031 -0.00049 -0.00036 -0.00085 2.66650 R17 2.57221 0.00003 -0.00004 0.00011 0.00007 2.57228 R18 4.01849 0.00001 -0.00028 0.00051 0.00023 4.01872 R19 2.02191 -0.00007 -0.00008 -0.00013 -0.00021 2.02170 A1 1.98109 -0.00011 0.00065 -0.00064 0.00001 1.98110 A2 1.97846 -0.00007 -0.00067 -0.00041 -0.00109 1.97737 A3 1.90518 -0.00008 0.00079 -0.00225 -0.00146 1.90371 A4 1.84525 0.00019 -0.00114 0.00311 0.00197 1.84722 A5 1.91255 0.00006 0.00066 0.00012 0.00077 1.91332 A6 1.83476 0.00004 -0.00037 0.00029 -0.00008 1.83468 A7 1.90799 -0.00017 0.00167 -0.00212 -0.00045 1.90754 A8 1.90864 -0.00008 -0.00043 -0.00043 -0.00086 1.90778 A9 1.96136 0.00006 -0.00050 0.00074 0.00024 1.96160 A10 1.88529 0.00010 0.00045 0.00035 0.00080 1.88609 A11 1.89273 0.00004 -0.00038 0.00033 -0.00006 1.89267 A12 1.90628 0.00005 -0.00076 0.00112 0.00036 1.90664 A13 1.98397 0.00024 -0.00059 0.00221 0.00163 1.98559 A14 2.10580 -0.00001 0.00017 -0.00016 -0.00003 2.10577 A15 2.18684 0.00007 -0.00007 0.00036 0.00024 2.18708 A16 1.99034 -0.00006 0.00019 -0.00030 -0.00015 1.99019 A17 2.20889 -0.00002 -0.00009 -0.00004 -0.00012 2.20877 A18 2.05398 -0.00001 0.00022 -0.00017 0.00005 2.05403 A19 2.02018 0.00003 -0.00012 0.00021 0.00009 2.02027 A20 2.10787 -0.00016 0.00033 -0.00104 -0.00071 2.10716 A21 2.04356 0.00005 -0.00009 0.00040 0.00031 2.04387 A22 2.13175 0.00011 -0.00024 0.00063 0.00038 2.13214 A23 1.99926 0.00026 -0.00027 0.00084 0.00056 1.99981 A24 2.18854 -0.00025 0.00017 -0.00039 -0.00022 2.18833 A25 2.09170 -0.00001 0.00040 -0.00040 -0.00001 2.09169 A26 2.12572 0.00006 -0.00011 0.00019 0.00007 2.12578 A27 2.14550 -0.00013 -0.00013 0.00024 0.00010 2.14560 A28 2.01105 0.00007 0.00025 -0.00040 -0.00015 2.01090 A29 2.10396 -0.00001 -0.00009 0.00018 0.00010 2.10406 A30 2.04270 0.00000 -0.00015 0.00002 -0.00014 2.04256 A31 2.13633 0.00001 0.00023 -0.00019 0.00004 2.13637 D1 1.07429 -0.00005 -0.00027 -0.00094 -0.00120 1.07309 D2 3.13506 -0.00007 0.00100 -0.00200 -0.00100 3.13406 D3 -1.02812 -0.00002 -0.00060 -0.00038 -0.00098 -1.02910 D4 -3.10317 0.00006 -0.00179 0.00239 0.00060 -3.10258 D5 -1.04240 0.00004 -0.00052 0.00132 0.00080 -1.04160 D6 1.07761 0.00009 -0.00212 0.00294 0.00082 1.07842 D7 -1.06460 0.00001 -0.00214 0.00101 -0.00112 -1.06573 D8 0.99617 -0.00002 -0.00087 -0.00005 -0.00092 0.99524 D9 3.11617 0.00003 -0.00247 0.00157 -0.00090 3.11527 D10 -1.18035 -0.00013 -0.00786 -0.01108 -0.01894 -1.19930 D11 2.92355 -0.00011 -0.00660 -0.01240 -0.01901 2.90454 D12 0.95446 -0.00027 -0.00591 -0.01435 -0.02026 0.93420 D13 1.82869 -0.00008 -0.00109 -0.00575 -0.00684 1.82185 D14 -1.40570 -0.00007 0.00253 -0.00508 -0.00255 -1.40825 D15 -2.27357 -0.00013 -0.00152 -0.00458 -0.00610 -2.27968 D16 0.77522 -0.00012 0.00210 -0.00391 -0.00181 0.77341 D17 -0.25078 0.00004 -0.00144 -0.00297 -0.00441 -0.25519 D18 2.79801 0.00005 0.00218 -0.00229 -0.00011 2.79790 D19 -3.11137 0.00002 0.00410 -0.00323 0.00088 -3.11049 D20 0.01181 0.00003 0.00469 -0.00271 0.00198 0.01379 D21 0.05108 -0.00004 -0.00434 0.00177 -0.00257 0.04850 D22 -3.10892 -0.00003 -0.00375 0.00229 -0.00147 -3.11039 D23 3.12461 -0.00002 -0.00502 0.00385 -0.00117 3.12344 D24 -0.03763 -0.00002 -0.00543 0.00440 -0.00103 -0.03866 D25 -0.03896 0.00004 0.00388 -0.00142 0.00246 -0.03650 D26 3.08198 0.00004 0.00347 -0.00087 0.00260 3.08458 D27 3.13497 0.00005 0.00132 0.00325 0.00457 3.13954 D28 -0.00873 -0.00001 0.00246 -0.00223 0.00024 -0.00850 D29 0.01148 0.00004 0.00073 0.00275 0.00348 0.01496 D30 -3.13223 -0.00002 0.00188 -0.00273 -0.00085 -3.13308 D31 3.00673 0.00004 0.00347 0.00286 0.00633 3.01306 D32 -0.04766 0.00005 0.00008 0.00224 0.00231 -0.04535 D33 -0.13701 -0.00002 0.00463 -0.00270 0.00193 -0.13508 D34 3.09178 -0.00001 0.00124 -0.00333 -0.00209 3.08969 D35 -2.98556 -0.00007 -0.00401 -0.00288 -0.00689 -2.99245 D36 0.20421 -0.00012 -0.00393 -0.00347 -0.00740 0.19681 D37 0.05870 -0.00005 -0.00025 -0.00211 -0.00236 0.05634 D38 -3.03471 -0.00010 -0.00016 -0.00271 -0.00287 -3.03758 D39 -0.01290 0.00000 -0.00185 0.00169 -0.00016 -0.01306 D40 -3.13270 -0.00000 -0.00141 0.00111 -0.00030 -3.13301 D41 3.08399 0.00004 -0.00194 0.00225 0.00032 3.08431 D42 -0.03581 0.00004 -0.00149 0.00167 0.00018 -0.03564 Item Value Threshold Converged? Maximum Force 0.000354 0.000450 YES RMS Force 0.000107 0.000300 YES Maximum Displacement 0.018340 0.001800 NO RMS Displacement 0.005323 0.001200 NO Predicted change in Energy=-7.655971D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.028924 -4.959477 2.102273 2 6 0 7.313847 -4.988425 3.612142 3 8 0 6.875278 -6.263917 1.523517 4 8 0 2.695085 -2.036780 0.204862 5 6 0 3.594574 -2.722376 0.701064 6 7 0 4.914496 -2.264345 0.714183 7 6 0 6.013378 -2.939616 1.202288 8 8 0 7.143134 -2.428537 1.157329 9 7 0 5.790449 -4.210385 1.750812 10 6 0 4.476761 -4.718659 1.834152 11 6 0 3.410325 -4.035318 1.335550 12 1 0 7.826313 -4.433933 1.603504 13 1 0 8.251077 -5.516262 3.791923 14 1 0 7.425192 -3.969455 3.976816 15 1 0 5.098039 -1.361264 0.319876 16 53 0 4.004497 -6.547598 2.811113 17 1 0 2.409546 -4.407886 1.400267 18 1 0 6.528366 -5.484149 4.171192 19 1 0 7.684720 -6.773618 1.501138 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.536791 0.000000 3 O 1.435315 2.486277 0.000000 4 O 5.560978 6.454047 6.089461 0.000000 5 C 4.331601 5.238545 4.897138 1.235046 0.000000 6 N 3.696125 4.644962 4.527280 2.288444 1.397196 7 C 2.433340 3.419976 3.449208 3.580648 2.479724 8 O 2.704001 3.550814 3.862121 4.565721 3.589819 9 N 1.489457 2.527971 2.333561 4.086049 2.852720 10 C 2.577482 3.359029 2.870051 3.608522 2.459124 11 C 3.812636 4.618308 4.124061 2.405032 1.469809 12 H 1.077402 2.145860 2.063905 5.833698 4.653111 13 H 2.158376 1.090566 2.756352 7.472807 6.248379 14 H 2.156637 1.087973 3.403767 6.351124 5.192243 15 H 4.455602 5.376349 5.351947 2.498747 2.063574 16 I 3.488802 3.744924 3.159075 5.371646 4.387786 17 H 4.704861 5.411246 4.837644 2.670706 2.175804 18 H 2.192320 1.084094 2.781828 6.504627 5.317548 19 H 2.020529 2.789408 0.956814 7.001029 5.812226 6 7 8 9 10 6 N 0.000000 7 C 1.379051 0.000000 8 O 2.278194 1.240795 0.000000 9 N 2.372544 1.401938 2.314512 0.000000 10 C 2.733057 2.434222 3.579427 1.411050 0.000000 11 C 2.405197 2.827403 4.067847 2.422412 1.361193 12 H 3.738540 2.383420 2.165045 2.053391 3.369534 13 H 5.583926 4.283995 4.207455 3.453425 4.326026 14 H 4.455981 3.278992 3.225444 2.772278 3.720962 15 H 1.002358 2.026744 2.454142 3.262591 3.735120 16 I 4.855046 4.431867 5.436240 3.126727 2.126617 17 H 3.367530 3.896488 5.136507 3.404761 2.134998 18 H 4.992257 3.943888 4.335675 2.832885 3.202626 19 H 5.350419 4.193121 4.392181 3.196992 3.824232 11 12 13 14 15 11 C 0.000000 12 H 4.442031 0.000000 13 H 5.626709 2.478113 0.000000 14 H 4.806223 2.451377 1.763203 0.000000 15 H 3.321226 4.304936 6.265842 5.058805 0.000000 16 I 2.973529 4.531244 4.478737 4.439238 5.856633 17 H 1.069838 5.420641 6.408745 5.655752 4.204420 18 H 4.456698 3.062784 1.764259 1.770982 5.820366 19 H 5.078992 2.346199 2.673837 3.749622 6.113908 16 17 18 19 16 I 0.000000 17 H 3.018728 0.000000 18 H 3.057883 5.079473 0.000000 19 H 3.912947 5.782242 3.182621 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.163103 2.110455 -0.212685 2 6 0 0.495152 2.636680 1.072428 3 8 0 0.759791 1.933565 -1.297629 4 8 0 -3.082284 -2.619434 -0.036598 5 6 0 -2.360960 -1.617084 -0.018658 6 7 0 -2.920135 -0.338088 0.041776 7 6 0 -2.235380 0.858915 0.033204 8 8 0 -2.844658 1.938357 0.089422 9 7 0 -0.836512 0.794111 -0.033126 10 6 0 -0.190819 -0.460537 -0.032003 11 6 0 -0.891259 -1.627683 -0.032943 12 1 0 -0.945886 2.788283 -0.510336 13 1 0 0.931988 3.616878 0.878211 14 1 0 -0.263330 2.752184 1.843823 15 1 0 -3.919234 -0.268008 0.081915 16 53 0 1.923342 -0.672732 0.056298 17 1 0 -0.411841 -2.584050 -0.024352 18 1 0 1.276604 1.978771 1.435396 19 1 0 1.106516 2.754223 -1.646619 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8380870 0.4609394 0.3164173 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.5548188659 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2609. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.85D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000133 0.000452 -0.000063 Ang= -0.05 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) = -114.395597104 A.U. after 12 cycles NFock= 12 Conv=0.31D-08 -V/T= 2.3640 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2609. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.000000320 0.000087123 -0.000190310 2 6 -0.000278871 0.000121883 0.000047210 3 8 -0.000009031 -0.000171963 0.000434043 4 8 -0.000048314 0.000108216 0.000118263 5 6 0.000014119 -0.000190350 -0.000360138 6 7 0.000027449 -0.000002114 -0.000108691 7 6 -0.000084820 0.000218501 0.000549706 8 8 0.000167916 -0.000144734 -0.000209742 9 7 0.000194757 -0.000100564 -0.000144819 10 6 -0.000005572 -0.000058717 0.000044462 11 6 -0.000090330 0.000094105 0.000114177 12 1 0.000059969 0.000007841 -0.000022269 13 1 0.000088868 -0.000039318 -0.000038939 14 1 0.000027970 -0.000035561 0.000035481 15 1 -0.000005537 -0.000036501 0.000018707 16 53 0.000036637 -0.000020316 -0.000017466 17 1 -0.000007776 -0.000025787 0.000011455 18 1 -0.000038714 -0.000061519 -0.000001499 19 1 -0.000049040 0.000249774 -0.000279632 ------------------------------------------------------------------- Cartesian Forces: Max 0.000549706 RMS 0.000150411 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000248426 RMS 0.000077572 Search for a local minimum. Step number 11 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 7 8 9 10 11 DE= -1.20D-05 DEPred=-7.66D-06 R= 1.56D+00 TightC=F SS= 1.41D+00 RLast= 3.88D-02 DXNew= 1.9885D+00 1.1638D-01 Trust test= 1.56D+00 RLast= 3.88D-02 DXMaxT set to 1.18D+00 ITU= 1 1 0 1 1 1 0 1 1 0 0 Eigenvalues --- 0.00190 0.00247 0.01090 0.01423 0.01783 Eigenvalues --- 0.01932 0.01997 0.02232 0.02513 0.03060 Eigenvalues --- 0.04152 0.05344 0.05456 0.05738 0.06050 Eigenvalues --- 0.06798 0.09033 0.14151 0.15301 0.16003 Eigenvalues --- 0.16026 0.16039 0.16180 0.16571 0.18996 Eigenvalues --- 0.21769 0.23450 0.23582 0.24838 0.24995 Eigenvalues --- 0.25045 0.28548 0.30942 0.34622 0.34820 Eigenvalues --- 0.35066 0.35149 0.36464 0.38213 0.42112 Eigenvalues --- 0.42720 0.43006 0.43807 0.45874 0.48170 Eigenvalues --- 0.49904 0.53897 0.58904 0.88758 0.94432 Eigenvalues --- 1.17072 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 11 10 9 8 7 RFO step: Lambda=-4.11017612D-05. DidBck=F Rises=F RFO-DIIS coefs: 2.52688 -0.10597 -0.88594 -0.40279 -0.13218 Iteration 1 RMS(Cart)= 0.01062517 RMS(Int)= 0.00019886 Iteration 2 RMS(Cart)= 0.00021709 RMS(Int)= 0.00002579 Iteration 3 RMS(Cart)= 0.00000012 RMS(Int)= 0.00002579 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90411 0.00000 0.00054 -0.00152 -0.00099 2.90313 R2 2.71235 -0.00013 -0.00369 0.00144 -0.00225 2.71010 R3 2.81467 -0.00025 0.00447 -0.00161 0.00286 2.81752 R4 2.03600 0.00006 0.00027 -0.00007 0.00021 2.03620 R5 2.06087 0.00009 -0.00193 0.00113 -0.00080 2.06007 R6 2.05597 -0.00002 0.00016 0.00005 0.00022 2.05619 R7 2.04864 0.00006 -0.00022 0.00037 0.00015 2.04879 R8 1.80812 -0.00017 0.00068 -0.00051 0.00017 1.80829 R9 2.33390 0.00005 -0.00006 0.00013 0.00007 2.33396 R10 2.64032 0.00010 -0.00043 0.00040 -0.00003 2.64029 R11 2.77754 0.00006 -0.00119 0.00068 -0.00050 2.77703 R12 2.60603 0.00006 -0.00062 0.00034 -0.00028 2.60575 R13 1.89418 -0.00004 0.00055 -0.00047 0.00008 1.89426 R14 2.34476 0.00010 0.00101 -0.00005 0.00096 2.34573 R15 2.64928 -0.00009 -0.00283 0.00109 -0.00174 2.64754 R16 2.66650 0.00002 -0.00289 0.00100 -0.00189 2.66461 R17 2.57228 0.00008 -0.00022 0.00042 0.00020 2.57248 R18 4.01872 0.00000 -0.00063 0.00061 -0.00002 4.01870 R19 2.02170 0.00002 -0.00055 0.00023 -0.00032 2.02138 A1 1.98110 -0.00006 0.00235 -0.00208 0.00027 1.98137 A2 1.97737 -0.00004 -0.00264 -0.00026 -0.00290 1.97448 A3 1.90371 0.00010 -0.00043 -0.00014 -0.00058 1.90314 A4 1.84722 0.00004 -0.00026 0.00220 0.00195 1.84917 A5 1.91332 -0.00001 0.00270 -0.00069 0.00201 1.91533 A6 1.83468 -0.00003 -0.00188 0.00122 -0.00067 1.83401 A7 1.90754 -0.00009 0.00416 -0.00420 -0.00004 1.90750 A8 1.90778 0.00010 -0.00291 0.00168 -0.00123 1.90655 A9 1.96160 -0.00004 -0.00084 0.00075 -0.00010 1.96150 A10 1.88609 -0.00001 0.00244 -0.00074 0.00171 1.88780 A11 1.89267 0.00004 -0.00128 0.00070 -0.00058 1.89209 A12 1.90664 0.00000 -0.00139 0.00174 0.00034 1.90698 A13 1.98559 -0.00008 0.00111 0.00059 0.00171 1.98730 A14 2.10577 -0.00002 0.00037 -0.00031 -0.00007 2.10569 A15 2.18708 0.00002 0.00012 0.00030 0.00028 2.18737 A16 1.99019 -0.00001 0.00013 -0.00015 -0.00013 1.99006 A17 2.20877 0.00001 -0.00044 0.00026 -0.00018 2.20860 A18 2.05403 -0.00001 0.00073 -0.00051 0.00021 2.05424 A19 2.02027 -0.00001 -0.00025 0.00025 -0.00001 2.02026 A20 2.10716 0.00013 -0.00020 -0.00039 -0.00060 2.10656 A21 2.04387 -0.00004 0.00019 -0.00007 0.00011 2.04398 A22 2.13214 -0.00008 -0.00000 0.00051 0.00050 2.13264 A23 1.99981 -0.00012 0.00033 0.00054 0.00083 2.00064 A24 2.18833 0.00003 0.00014 -0.00072 -0.00063 2.18769 A25 2.09169 0.00009 0.00091 -0.00032 0.00055 2.09224 A26 2.12578 -0.00001 -0.00003 0.00010 0.00006 2.12584 A27 2.14560 -0.00006 -0.00024 -0.00012 -0.00038 2.14522 A28 2.01090 0.00008 0.00047 0.00004 0.00049 2.01139 A29 2.10406 -0.00004 -0.00022 0.00002 -0.00018 2.10389 A30 2.04256 0.00004 -0.00046 0.00043 -0.00004 2.04252 A31 2.13637 -0.00000 0.00069 -0.00042 0.00026 2.13663 D1 1.07309 0.00001 -0.00393 -0.00086 -0.00478 1.06830 D2 3.13406 0.00001 -0.00023 -0.00322 -0.00346 3.13060 D3 -1.02910 0.00005 -0.00460 0.00065 -0.00395 -1.03305 D4 -3.10258 -0.00001 -0.00449 0.00029 -0.00419 -3.10677 D5 -1.04160 -0.00002 -0.00079 -0.00207 -0.00286 -1.04447 D6 1.07842 0.00002 -0.00516 0.00180 -0.00336 1.07506 D7 -1.06573 -0.00001 -0.00870 0.00157 -0.00713 -1.07286 D8 0.99524 -0.00002 -0.00500 -0.00080 -0.00581 0.98943 D9 3.11527 0.00002 -0.00938 0.00307 -0.00630 3.10897 D10 -1.19930 -0.00024 -0.04987 -0.00568 -0.05555 -1.25484 D11 2.90454 -0.00017 -0.04786 -0.00560 -0.05347 2.85107 D12 0.93420 -0.00015 -0.04680 -0.00782 -0.05462 0.87958 D13 1.82185 0.00009 -0.01371 0.00656 -0.00715 1.81470 D14 -1.40825 0.00009 0.00322 0.00002 0.00324 -1.40500 D15 -2.27968 0.00001 -0.01262 0.00536 -0.00726 -2.28694 D16 0.77341 0.00002 0.00431 -0.00118 0.00313 0.77654 D17 -0.25519 0.00000 -0.01053 0.00609 -0.00444 -0.25963 D18 2.79790 0.00001 0.00640 -0.00045 0.00595 2.80385 D19 -3.11049 -0.00010 0.00594 -0.00682 -0.00088 -3.11137 D20 0.01379 -0.00009 0.00800 -0.00650 0.00149 0.01529 D21 0.04850 0.00000 -0.00941 0.00273 -0.00669 0.04182 D22 -3.11039 0.00001 -0.00736 0.00304 -0.00431 -3.11471 D23 3.12344 0.00004 -0.00702 0.00466 -0.00237 3.12108 D24 -0.03866 0.00008 -0.00635 0.00661 0.00026 -0.03840 D25 -0.03650 -0.00007 0.00916 -0.00541 0.00375 -0.03275 D26 3.08458 -0.00003 0.00983 -0.00345 0.00638 3.09096 D27 3.13954 -0.00014 0.00792 -0.00676 0.00116 3.14070 D28 -0.00850 0.00007 0.00436 0.00089 0.00525 -0.00325 D29 0.01496 -0.00015 0.00589 -0.00706 -0.00117 0.01379 D30 -3.13308 0.00006 0.00233 0.00058 0.00292 -3.13016 D31 3.01306 -0.00008 0.01724 -0.00820 0.00905 3.02211 D32 -0.04535 -0.00009 0.00137 -0.00203 -0.00066 -0.04601 D33 -0.13508 0.00013 0.01363 -0.00044 0.01320 -0.12188 D34 3.08969 0.00013 -0.00224 0.00573 0.00349 3.09319 D35 -2.99245 0.00002 -0.01878 0.00608 -0.01270 -3.00515 D36 0.19681 0.00000 -0.02289 0.00567 -0.01721 0.17960 D37 0.05634 0.00002 -0.00105 -0.00074 -0.00180 0.05454 D38 -3.03758 0.00000 -0.00516 -0.00115 -0.00631 -3.04389 D39 -0.01306 0.00007 -0.00450 0.00464 0.00013 -0.01293 D40 -3.13301 0.00002 -0.00519 0.00256 -0.00263 -3.13564 D41 3.08431 0.00008 -0.00071 0.00501 0.00430 3.08861 D42 -0.03564 0.00003 -0.00140 0.00293 0.00153 -0.03411 Item Value Threshold Converged? Maximum Force 0.000248 0.000450 YES RMS Force 0.000078 0.000300 YES Maximum Displacement 0.049995 0.001800 NO RMS Displacement 0.010596 0.001200 NO Predicted change in Energy=-1.902884D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.029409 -4.964202 2.104401 2 6 0 7.307170 -4.982218 3.615242 3 8 0 6.878341 -6.271545 1.534536 4 8 0 2.695188 -2.031350 0.217212 5 6 0 3.594777 -2.719574 0.709668 6 7 0 4.916478 -2.266589 0.714567 7 6 0 6.015086 -2.944898 1.198644 8 8 0 7.146621 -2.437137 1.147196 9 7 0 5.791194 -4.215221 1.745455 10 6 0 4.477826 -4.720902 1.832563 11 6 0 3.410500 -4.033909 1.340638 12 1 0 7.828364 -4.440176 1.606305 13 1 0 8.240637 -5.512884 3.803519 14 1 0 7.420255 -3.960232 3.971180 15 1 0 5.101283 -1.364357 0.318798 16 53 0 4.007983 -6.556161 2.798753 17 1 0 2.409637 -4.405637 1.406110 18 1 0 6.517020 -5.470366 4.174531 19 1 0 7.696231 -6.764641 1.474682 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.536268 0.000000 3 O 1.434124 2.485075 0.000000 4 O 5.563144 6.443959 6.100275 0.000000 5 C 4.333628 5.229128 4.907005 1.235081 0.000000 6 N 3.697733 4.637237 4.534416 2.288411 1.397180 7 C 2.434509 3.414689 3.453203 3.580433 2.479468 8 O 2.704817 3.548868 3.863248 4.565609 3.589818 9 N 1.490970 2.526376 2.335561 4.085348 2.852027 10 C 2.577531 3.354313 2.873288 3.608441 2.458858 11 C 3.813828 4.610549 4.131650 2.404994 1.469543 12 H 1.077512 2.145060 2.064366 5.837937 4.657004 13 H 2.157574 1.090144 2.753125 7.465566 6.241675 14 H 2.155361 1.088088 3.401922 6.335544 5.177932 15 H 4.457009 5.368557 5.358773 2.498898 2.063723 16 I 3.485036 3.745476 3.149319 5.372308 4.387986 17 H 4.705518 5.403568 4.844319 2.670628 2.175407 18 H 2.191845 1.084172 2.782447 6.487958 5.302040 19 H 2.020588 2.812543 0.956906 6.999692 5.811173 6 7 8 9 10 6 N 0.000000 7 C 1.378903 0.000000 8 O 2.278112 1.241306 0.000000 9 N 2.371713 1.401017 2.314449 0.000000 10 C 2.732395 2.432942 3.578795 1.410048 0.000000 11 C 2.404861 2.826655 4.067641 2.421664 1.361299 12 H 3.741491 2.385376 2.165114 2.054271 3.369882 13 H 5.579434 4.281705 4.208698 3.452438 4.320954 14 H 4.443293 3.269917 3.220183 2.769966 3.716206 15 H 1.002402 2.026642 2.453672 3.261710 3.734512 16 I 4.854856 4.430579 5.435536 3.125586 2.126606 17 H 3.367196 3.895647 5.136248 3.403872 2.135103 18 H 4.979686 3.935203 4.331470 2.828891 3.194498 19 H 5.342029 4.182449 4.374541 3.194061 3.829239 11 12 13 14 15 11 C 0.000000 12 H 4.444452 0.000000 13 H 5.619909 2.479601 0.000000 14 H 4.796178 2.447352 1.764047 0.000000 15 H 3.321056 4.307587 6.261717 5.045403 0.000000 16 I 2.974028 4.527101 4.473628 4.444889 5.856647 17 H 1.069670 5.422534 6.401104 5.646615 4.204354 18 H 4.443515 3.062140 1.763609 1.771353 5.807779 19 H 5.083538 2.331936 2.699399 3.764754 6.101876 16 17 18 19 16 I 0.000000 17 H 3.019755 0.000000 18 H 3.060553 5.066399 0.000000 19 H 3.924258 5.789446 3.217899 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.158519 2.110358 -0.207312 2 6 0 0.486860 2.628446 1.086979 3 8 0 0.774352 1.937682 -1.282787 4 8 0 -3.084335 -2.617920 -0.029635 5 6 0 -2.362072 -1.616174 -0.013281 6 7 0 -2.920370 -0.336330 0.035858 7 6 0 -2.234235 0.859697 0.025251 8 8 0 -2.843465 1.940193 0.072235 9 7 0 -0.836196 0.793221 -0.037319 10 6 0 -0.191606 -0.460846 -0.029882 11 6 0 -0.892630 -1.627759 -0.026072 12 1 0 -0.938561 2.790272 -0.507784 13 1 0 0.931388 3.606380 0.901358 14 1 0 -0.281048 2.744069 1.849136 15 1 0 -3.919618 -0.264892 0.070639 16 53 0 1.922783 -0.672769 0.053199 17 1 0 -0.413958 -2.584287 -0.015058 18 1 0 1.260716 1.965200 1.456685 19 1 0 1.090354 2.759778 -1.656914 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8390024 0.4610316 0.3165033 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.6016520247 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2608. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.82D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000454 0.000461 0.000212 Ang= -0.08 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.395619904 A.U. after 13 cycles NFock= 13 Conv=0.56D-08 -V/T= 2.3639 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2608. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.000342938 0.001031280 -0.000377919 2 6 -0.000471553 0.000133119 0.000176768 3 8 0.000144566 -0.000698531 0.000273523 4 8 -0.000118346 0.000241471 0.000343752 5 6 0.000113660 -0.000413773 -0.001045826 6 7 -0.000066737 0.000227870 0.000196542 7 6 0.000593538 0.000522186 -0.000359439 8 8 -0.000189100 -0.000298016 0.000089490 9 7 0.001103251 -0.000444778 0.000535159 10 6 -0.000534930 -0.000406988 -0.000058058 11 6 -0.000091451 0.000134999 0.000304049 12 1 -0.000000542 -0.000069758 -0.000165533 13 1 0.000302250 -0.000069371 0.000028110 14 1 0.000087473 -0.000152688 0.000165488 15 1 -0.000029339 -0.000066322 0.000071167 16 53 -0.000216379 -0.000011138 0.000053208 17 1 -0.000118188 -0.000083266 0.000089913 18 1 -0.000020127 -0.000037551 -0.000036061 19 1 -0.000145108 0.000461255 -0.000284333 ------------------------------------------------------------------- Cartesian Forces: Max 0.001103251 RMS 0.000362716 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000916734 RMS 0.000222766 Search for a local minimum. Step number 12 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 7 8 9 10 11 12 DE= -2.28D-05 DEPred=-1.90D-05 R= 1.20D+00 TightC=F SS= 1.41D+00 RLast= 1.02D-01 DXNew= 1.9885D+00 3.0493D-01 Trust test= 1.20D+00 RLast= 1.02D-01 DXMaxT set to 1.18D+00 ITU= 1 1 1 0 1 1 1 0 1 1 0 0 Eigenvalues --- 0.00073 0.00224 0.01114 0.01526 0.01783 Eigenvalues --- 0.01935 0.02005 0.02232 0.02519 0.03559 Eigenvalues --- 0.04200 0.05331 0.05584 0.05737 0.05995 Eigenvalues --- 0.06853 0.09059 0.14153 0.15487 0.16011 Eigenvalues --- 0.16042 0.16050 0.16214 0.17056 0.19689 Eigenvalues --- 0.21918 0.23463 0.23579 0.24853 0.25025 Eigenvalues --- 0.25064 0.28702 0.31097 0.34720 0.34828 Eigenvalues --- 0.35141 0.35281 0.37480 0.40996 0.42106 Eigenvalues --- 0.42737 0.43239 0.44279 0.46237 0.48181 Eigenvalues --- 0.50682 0.55629 0.62311 0.88831 0.96553 Eigenvalues --- 1.39290 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 12 11 10 9 8 7 RFO step: Lambda=-6.49238803D-05. DidBck=F Rises=F RFO-DIIS coefs: 2.02412 0.22253 -0.44869 -0.36898 -0.41076 RFO-DIIS coefs: -0.01821 Iteration 1 RMS(Cart)= 0.01769945 RMS(Int)= 0.00062612 Iteration 2 RMS(Cart)= 0.00067641 RMS(Int)= 0.00002723 Iteration 3 RMS(Cart)= 0.00000120 RMS(Int)= 0.00002722 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002722 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90313 0.00031 -0.00092 0.00001 -0.00090 2.90222 R2 2.71010 0.00022 -0.00499 0.00142 -0.00357 2.70653 R3 2.81752 -0.00072 0.00629 -0.00243 0.00386 2.82139 R4 2.03620 0.00004 0.00030 0.00005 0.00035 2.03655 R5 2.06007 0.00030 -0.00214 0.00107 -0.00107 2.05900 R6 2.05619 -0.00008 0.00038 -0.00014 0.00024 2.05643 R7 2.04879 0.00001 -0.00010 0.00013 0.00003 2.04881 R8 1.80829 -0.00034 0.00107 -0.00044 0.00063 1.80892 R9 2.33396 0.00008 -0.00002 0.00010 0.00007 2.33404 R10 2.64029 0.00017 -0.00034 0.00034 -0.00001 2.64028 R11 2.77703 0.00022 -0.00145 0.00067 -0.00079 2.77624 R12 2.60575 0.00015 -0.00084 0.00041 -0.00043 2.60532 R13 1.89426 -0.00009 0.00055 -0.00026 0.00029 1.89455 R14 2.34573 -0.00030 0.00175 -0.00041 0.00134 2.34707 R15 2.64754 0.00031 -0.00379 0.00101 -0.00277 2.64476 R16 2.66461 0.00092 -0.00415 0.00138 -0.00276 2.66184 R17 2.57248 0.00013 -0.00007 0.00018 0.00012 2.57260 R18 4.01870 0.00008 -0.00050 0.00025 -0.00025 4.01846 R19 2.02138 0.00015 -0.00073 0.00024 -0.00049 2.02090 A1 1.98137 -0.00024 0.00220 -0.00186 0.00034 1.98172 A2 1.97448 0.00016 -0.00451 0.00105 -0.00346 1.97101 A3 1.90314 0.00024 -0.00141 0.00132 -0.00011 1.90303 A4 1.84917 0.00011 0.00236 0.00036 0.00273 1.85190 A5 1.91533 -0.00008 0.00371 -0.00110 0.00261 1.91794 A6 1.83401 -0.00019 -0.00239 0.00029 -0.00212 1.83189 A7 1.90750 -0.00007 0.00276 -0.00197 0.00079 1.90829 A8 1.90655 0.00034 -0.00374 0.00207 -0.00167 1.90489 A9 1.96150 -0.00011 -0.00047 -0.00001 -0.00049 1.96101 A10 1.88780 -0.00015 0.00355 -0.00113 0.00242 1.89022 A11 1.89209 0.00006 -0.00153 0.00034 -0.00119 1.89090 A12 1.90698 -0.00007 -0.00035 0.00063 0.00027 1.90725 A13 1.98730 -0.00030 0.00306 -0.00103 0.00203 1.98933 A14 2.10569 -0.00005 0.00013 -0.00017 -0.00012 2.10557 A15 2.18737 -0.00003 0.00037 0.00004 0.00033 2.18770 A16 1.99006 0.00007 -0.00017 0.00008 -0.00018 1.98989 A17 2.20860 0.00007 -0.00053 0.00022 -0.00031 2.20828 A18 2.05424 -0.00004 0.00075 -0.00033 0.00042 2.05466 A19 2.02026 -0.00003 -0.00018 0.00011 -0.00007 2.02019 A20 2.10656 0.00025 -0.00096 0.00062 -0.00035 2.10621 A21 2.04398 -0.00002 0.00029 -0.00022 0.00009 2.04407 A22 2.13264 -0.00023 0.00068 -0.00040 0.00026 2.13290 A23 2.00064 -0.00063 0.00140 -0.00042 0.00085 2.00150 A24 2.18769 0.00068 -0.00067 -0.00008 -0.00088 2.18681 A25 2.09224 -0.00005 0.00103 -0.00001 0.00095 2.09319 A26 2.12584 -0.00015 0.00015 -0.00009 0.00006 2.12590 A27 2.14522 0.00047 -0.00051 -0.00008 -0.00063 2.14458 A28 2.01139 -0.00032 0.00076 0.00010 0.00081 2.01220 A29 2.10389 0.00007 -0.00038 0.00005 -0.00031 2.10358 A30 2.04252 0.00004 -0.00025 0.00036 0.00009 2.04262 A31 2.13663 -0.00011 0.00071 -0.00042 0.00027 2.13690 D1 1.06830 -0.00005 -0.01079 -0.00017 -0.01096 1.05734 D2 3.13060 -0.00008 -0.00706 -0.00148 -0.00854 3.12206 D3 -1.03305 -0.00001 -0.01044 0.00075 -0.00968 -1.04274 D4 -3.10677 0.00003 -0.00942 -0.00030 -0.00972 -3.11649 D5 -1.04447 0.00000 -0.00569 -0.00161 -0.00730 -1.05177 D6 1.07506 0.00008 -0.00907 0.00063 -0.00845 1.06662 D7 -1.07286 0.00004 -0.01604 0.00155 -0.01449 -1.08735 D8 0.98943 0.00001 -0.01231 0.00024 -0.01207 0.97736 D9 3.10897 0.00008 -0.01569 0.00247 -0.01321 3.09575 D10 -1.25484 -0.00021 -0.09391 -0.00328 -0.09719 -1.35203 D11 2.85107 -0.00034 -0.09133 -0.00367 -0.09500 2.75607 D12 0.87958 -0.00013 -0.09147 -0.00368 -0.09515 0.78443 D13 1.81470 0.00025 -0.01825 0.00870 -0.00954 1.80516 D14 -1.40500 0.00019 0.00476 0.00105 0.00582 -1.39919 D15 -2.28694 0.00013 -0.01668 0.00729 -0.00939 -2.29633 D16 0.77654 0.00007 0.00633 -0.00036 0.00597 0.78250 D17 -0.25963 -0.00000 -0.01253 0.00634 -0.00620 -0.26583 D18 2.80385 -0.00006 0.01048 -0.00131 0.00916 2.81301 D19 -3.11137 -0.00021 -0.00132 -0.00236 -0.00368 -3.11506 D20 0.01529 -0.00021 0.00180 -0.00247 -0.00067 0.01462 D21 0.04182 0.00016 -0.00909 0.00205 -0.00703 0.03479 D22 -3.11471 0.00016 -0.00597 0.00195 -0.00402 -3.11872 D23 3.12108 0.00021 -0.00135 0.00250 0.00115 3.12222 D24 -0.03840 0.00022 0.00285 0.00212 0.00497 -0.03343 D25 -0.03275 -0.00018 0.00683 -0.00215 0.00468 -0.02807 D26 3.09096 -0.00017 0.01104 -0.00254 0.00850 3.09946 D27 3.14070 -0.00004 0.00563 -0.00231 0.00333 -3.13915 D28 -0.00325 -0.00007 0.00624 -0.00214 0.00411 0.00086 D29 0.01379 -0.00005 0.00256 -0.00220 0.00036 0.01415 D30 -3.13016 -0.00007 0.00317 -0.00203 0.00114 -3.12902 D31 3.02211 -0.00002 0.02074 -0.00498 0.01579 3.03789 D32 -0.04601 -0.00000 -0.00080 0.00221 0.00141 -0.04460 D33 -0.12188 -0.00004 0.02135 -0.00481 0.01657 -0.10531 D34 3.09319 -0.00002 -0.00018 0.00239 0.00220 3.09539 D35 -3.00515 0.00004 -0.02495 0.00547 -0.01947 -3.02462 D36 0.17960 0.00017 -0.03487 0.00769 -0.02717 0.15243 D37 0.05454 -0.00003 -0.00081 -0.00256 -0.00337 0.05117 D38 -3.04389 0.00009 -0.01073 -0.00034 -0.01107 -3.05497 D39 -0.01293 0.00013 -0.00239 0.00254 0.00014 -0.01278 D40 -3.13564 0.00012 -0.00681 0.00293 -0.00389 -3.13953 D41 3.08861 0.00003 0.00678 0.00048 0.00727 3.09588 D42 -0.03411 0.00002 0.00235 0.00087 0.00323 -0.03087 Item Value Threshold Converged? Maximum Force 0.000917 0.000450 NO RMS Force 0.000223 0.000300 YES Maximum Displacement 0.093536 0.001800 NO RMS Displacement 0.017620 0.001200 NO Predicted change in Energy=-2.596740D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.029947 -4.971146 2.109024 2 6 0 7.297113 -4.972337 3.621396 3 8 0 6.883375 -6.282844 1.552915 4 8 0 2.695625 -2.023036 0.237461 5 6 0 3.595824 -2.716877 0.720936 6 7 0 4.919966 -2.271118 0.714281 7 6 0 6.018241 -2.954531 1.191232 8 8 0 7.152230 -2.451294 1.132767 9 7 0 5.792400 -4.223115 1.737519 10 6 0 4.479420 -4.724637 1.830674 11 6 0 3.411090 -4.032576 1.347941 12 1 0 7.830569 -4.449153 1.611066 13 1 0 8.223082 -5.509744 3.823768 14 1 0 7.415782 -3.946167 3.963603 15 1 0 5.106596 -1.369592 0.317374 16 53 0 4.012949 -6.568852 2.781031 17 1 0 2.410062 -4.402842 1.414919 18 1 0 6.498416 -5.446137 4.180909 19 1 0 7.711314 -6.746001 1.425185 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.535789 0.000000 3 O 1.432233 2.483390 0.000000 4 O 5.566008 6.428303 6.116668 0.000000 5 C 4.336095 5.215295 4.921006 1.235120 0.000000 6 N 3.699660 4.625876 4.544472 2.288361 1.397176 7 C 2.435698 3.407748 3.457880 3.580103 2.479065 8 O 2.705123 3.545409 3.863882 4.565775 3.590009 9 N 1.493014 2.524775 2.338117 4.084180 2.850813 10 C 2.577486 3.347750 2.878221 3.608172 2.458325 11 C 3.815270 4.599230 4.142762 2.404851 1.469124 12 H 1.077698 2.144696 2.064698 5.842986 4.661135 13 H 2.157314 1.089578 2.747594 7.454630 6.232109 14 H 2.153815 1.088215 3.399256 6.313671 5.159275 15 H 4.458754 5.356743 5.368757 2.499231 2.064091 16 I 3.479445 3.747107 3.135190 5.373037 4.388131 17 H 4.706176 5.392229 4.854274 2.670474 2.174884 18 H 2.191084 1.084186 2.784713 6.459846 5.276866 19 H 2.020397 2.853207 0.957242 6.991009 5.802332 6 7 8 9 10 6 N 0.000000 7 C 1.378675 0.000000 8 O 2.278287 1.242013 0.000000 9 N 2.370327 1.399549 2.313917 0.000000 10 C 2.731332 2.431076 3.577580 1.408587 0.000000 11 C 2.404365 2.825592 4.067294 2.420477 1.361363 12 H 3.744285 2.386355 2.163414 2.054560 3.369617 13 H 5.573884 4.280266 4.212165 3.451965 4.313214 14 H 4.426396 3.259218 3.212124 2.769029 3.711822 15 H 1.002554 2.026514 2.453480 3.260327 3.733598 16 I 4.854344 4.428540 5.433797 3.123755 2.126476 17 H 3.366714 3.894432 5.135787 3.402438 2.135100 18 H 4.958806 3.921331 4.322931 2.822126 3.181274 19 H 5.321803 4.158903 4.340806 3.185081 3.833467 11 12 13 14 15 11 C 0.000000 12 H 4.446860 0.000000 13 H 5.609546 2.484948 0.000000 14 H 4.784006 2.441203 1.765237 0.000000 15 H 3.320887 4.310147 6.256848 5.026536 0.000000 16 I 2.974672 4.520637 4.464776 4.456032 5.856447 17 H 1.069412 5.424253 6.388974 5.635741 4.204344 18 H 4.422153 3.061486 1.762404 1.771636 5.786388 19 H 5.085328 2.307441 2.746532 3.790776 6.075983 16 17 18 19 16 I 0.000000 17 H 3.021110 0.000000 18 H 3.065565 5.045176 0.000000 19 H 3.943045 5.796013 3.279448 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.152406 2.110039 -0.198315 2 6 0 0.473462 2.616393 1.109562 3 8 0 0.795123 1.944594 -1.259498 4 8 0 -3.086496 -2.616330 -0.016666 5 6 0 -2.363151 -1.615232 -0.006806 6 7 0 -2.920377 -0.334412 0.026356 7 6 0 -2.232542 0.860324 0.011148 8 8 0 -2.841158 1.942403 0.047039 9 7 0 -0.835767 0.791603 -0.043932 10 6 0 -0.192514 -0.461412 -0.026670 11 6 0 -0.894114 -1.628014 -0.016345 12 1 0 -0.929175 2.791958 -0.503356 13 1 0 0.932055 3.589578 0.936988 14 1 0 -0.308576 2.734852 1.856955 15 1 0 -3.919854 -0.261212 0.054640 16 53 0 1.922137 -0.672393 0.048414 17 1 0 -0.416254 -2.584605 -0.001365 18 1 0 1.233673 1.943748 1.490466 19 1 0 1.055708 2.764257 -1.679688 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8402755 0.4612131 0.3166644 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.6850216373 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2608. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.77D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000671 0.000653 0.000180 Ang= -0.11 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.395652714 A.U. after 13 cycles NFock= 13 Conv=0.10D-07 -V/T= 2.3638 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2608. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.000693781 0.002349683 -0.000809475 2 6 -0.000796069 0.000160591 0.000203384 3 8 0.000850228 -0.001843624 0.000185382 4 8 -0.000174125 0.000312282 0.000372185 5 6 0.000105777 -0.000362997 -0.001328311 6 7 -0.000012126 0.000500678 0.000174320 7 6 0.001302354 0.001287325 -0.000847098 8 8 -0.000623483 -0.000485623 0.000138591 9 7 0.002253281 -0.000875050 0.001460920 10 6 -0.001199517 -0.000965536 -0.000257905 11 6 -0.000117223 0.000111478 0.000355517 12 1 0.000020178 -0.000252862 -0.000179234 13 1 0.000557247 -0.000095128 -0.000021951 14 1 0.000136511 -0.000265491 0.000330448 15 1 -0.000106166 -0.000188795 0.000165038 16 53 -0.000569693 -0.000004223 0.000207135 17 1 -0.000296383 -0.000150195 0.000189120 18 1 -0.000059868 -0.000058765 -0.000036728 19 1 -0.000577144 0.000826249 -0.000301340 ------------------------------------------------------------------- Cartesian Forces: Max 0.002349683 RMS 0.000744210 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002193038 RMS 0.000470698 Search for a local minimum. Step number 13 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 8 9 10 11 12 13 DE= -3.28D-05 DEPred=-2.60D-05 R= 1.26D+00 TightC=F SS= 1.41D+00 RLast= 1.76D-01 DXNew= 1.9885D+00 5.2923D-01 Trust test= 1.26D+00 RLast= 1.76D-01 DXMaxT set to 1.18D+00 ITU= 1 1 1 1 0 1 1 1 0 1 1 0 0 Eigenvalues --- 0.00020 0.00228 0.01120 0.01601 0.01784 Eigenvalues --- 0.01938 0.02006 0.02237 0.02518 0.03470 Eigenvalues --- 0.04236 0.05384 0.05620 0.05715 0.05995 Eigenvalues --- 0.06900 0.09051 0.14151 0.15540 0.16012 Eigenvalues --- 0.16047 0.16050 0.16217 0.17128 0.20740 Eigenvalues --- 0.22497 0.23484 0.23591 0.24915 0.25039 Eigenvalues --- 0.25187 0.28755 0.31338 0.34735 0.34832 Eigenvalues --- 0.35166 0.35389 0.37507 0.41094 0.42106 Eigenvalues --- 0.42757 0.43363 0.45094 0.46480 0.48189 Eigenvalues --- 0.50732 0.56384 0.69215 0.88845 0.97960 Eigenvalues --- 2.16267 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 13 12 11 10 9 8 7 RFO step: Lambda=-1.31502973D-04. 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 7 DidBck=F Rises=F RFO-DIIS coefs: 2.88763 -0.73408 -0.23982 -0.91373 0.00000 RFO-DIIS coefs: 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.04058145 RMS(Int)= 0.01224505 Iteration 2 RMS(Cart)= 0.01093434 RMS(Int)= 0.00038627 Iteration 3 RMS(Cart)= 0.00037248 RMS(Int)= 0.00008292 Iteration 4 RMS(Cart)= 0.00000030 RMS(Int)= 0.00008292 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90222 0.00044 -0.00367 0.00126 -0.00241 2.89981 R2 2.70653 0.00095 -0.01005 0.00129 -0.00876 2.69777 R3 2.82139 -0.00103 0.01231 -0.00200 0.01031 2.83169 R4 2.03655 -0.00002 0.00093 -0.00009 0.00084 2.03739 R5 2.05900 0.00052 -0.00330 0.00061 -0.00269 2.05631 R6 2.05643 -0.00013 0.00083 -0.00024 0.00059 2.05702 R7 2.04881 0.00005 0.00028 -0.00023 0.00005 2.04886 R8 1.80892 -0.00086 0.00190 -0.00032 0.00158 1.81051 R9 2.33404 0.00016 0.00022 -0.00002 0.00020 2.33424 R10 2.64028 0.00027 -0.00017 0.00020 -0.00004 2.64024 R11 2.77624 0.00046 -0.00236 0.00038 -0.00203 2.77422 R12 2.60532 0.00028 -0.00131 0.00024 -0.00110 2.60422 R13 1.89455 -0.00025 0.00070 0.00003 0.00073 1.89528 R14 2.34707 -0.00077 0.00402 -0.00066 0.00336 2.35043 R15 2.64476 0.00112 -0.00783 0.00100 -0.00678 2.63798 R16 2.66184 0.00219 -0.00818 0.00137 -0.00674 2.65511 R17 2.57260 0.00033 0.00052 -0.00018 0.00036 2.57296 R18 4.01846 0.00022 -0.00027 -0.00034 -0.00062 4.01784 R19 2.02090 0.00034 -0.00148 0.00024 -0.00124 2.01966 A1 1.98172 -0.00063 0.00097 -0.00144 -0.00043 1.98128 A2 1.97101 0.00016 -0.01087 0.00223 -0.00868 1.96233 A3 1.90303 0.00042 -0.00221 0.00175 -0.00054 1.90248 A4 1.85190 0.00054 0.00920 -0.00060 0.00861 1.86050 A5 1.91794 -0.00017 0.00795 -0.00137 0.00659 1.92453 A6 1.83189 -0.00029 -0.00485 -0.00063 -0.00557 1.82632 A7 1.90829 -0.00024 0.00104 0.00061 0.00165 1.90994 A8 1.90489 0.00064 -0.00535 0.00158 -0.00377 1.90112 A9 1.96101 -0.00015 -0.00082 -0.00060 -0.00143 1.95958 A10 1.89022 -0.00025 0.00727 -0.00102 0.00626 1.89648 A11 1.89090 0.00015 -0.00297 -0.00008 -0.00305 1.88785 A12 1.90725 -0.00017 0.00123 -0.00054 0.00068 1.90793 A13 1.98933 -0.00046 0.00728 -0.00183 0.00545 1.99478 A14 2.10557 -0.00011 -0.00035 -0.00000 -0.00035 2.10522 A15 2.18770 -0.00008 0.00117 -0.00026 0.00091 2.18861 A16 1.98989 0.00018 -0.00061 0.00021 -0.00054 1.98935 A17 2.20828 0.00017 -0.00090 0.00013 -0.00083 2.20745 A18 2.05466 -0.00013 0.00108 -0.00012 0.00096 2.05562 A19 2.02019 -0.00004 -0.00006 -0.00002 -0.00008 2.02011 A20 2.10621 0.00022 -0.00201 0.00094 -0.00110 2.10511 A21 2.04407 0.00006 0.00058 -0.00023 0.00042 2.04449 A22 2.13290 -0.00029 0.00143 -0.00071 0.00068 2.13358 A23 2.00150 -0.00114 0.00307 -0.00048 0.00214 2.00363 A24 2.18681 0.00147 -0.00259 0.00025 -0.00280 2.18401 A25 2.09319 -0.00034 0.00242 -0.00010 0.00211 2.09530 A26 2.12590 -0.00032 0.00025 -0.00004 0.00025 2.12616 A27 2.14458 0.00118 -0.00155 -0.00009 -0.00178 2.14280 A28 2.01220 -0.00087 0.00196 0.00009 0.00191 2.01412 A29 2.10358 0.00023 -0.00070 -0.00001 -0.00072 2.10285 A30 2.04262 -0.00000 0.00001 0.00025 0.00023 2.04285 A31 2.13690 -0.00023 0.00085 -0.00025 0.00057 2.13748 D1 1.05734 -0.00021 -0.02731 -0.00025 -0.02756 1.02978 D2 3.12206 -0.00027 -0.02103 -0.00020 -0.02124 3.10082 D3 -1.04274 -0.00014 -0.02374 -0.00018 -0.02392 -1.06666 D4 -3.11649 0.00015 -0.02264 -0.00044 -0.02308 -3.13957 D5 -1.05177 0.00008 -0.01636 -0.00039 -0.01676 -1.06853 D6 1.06662 0.00022 -0.01907 -0.00037 -0.01944 1.04717 D7 -1.08735 0.00014 -0.03661 0.00122 -0.03537 -1.12272 D8 0.97736 0.00008 -0.03033 0.00127 -0.02906 0.94831 D9 3.09575 0.00022 -0.03304 0.00129 -0.03174 3.06402 D10 -1.35203 -0.00023 -0.26485 -0.00254 -0.26739 -1.61942 D11 2.75607 -0.00041 -0.25837 -0.00400 -0.26235 2.49373 D12 0.78443 -0.00027 -0.26112 -0.00231 -0.26346 0.52097 D13 1.80516 0.00050 -0.03251 0.00873 -0.02371 1.78146 D14 -1.39919 0.00036 0.01239 0.00271 0.01513 -1.38406 D15 -2.29633 0.00018 -0.03168 0.00792 -0.02374 -2.32007 D16 0.78250 0.00005 0.01322 0.00191 0.01509 0.79760 D17 -0.26583 0.00009 -0.02085 0.00582 -0.01504 -0.28087 D18 2.81301 -0.00004 0.02405 -0.00020 0.02379 2.83680 D19 -3.11506 -0.00025 -0.00716 -0.00173 -0.00891 -3.12397 D20 0.01462 -0.00024 0.00227 -0.00298 -0.00070 0.01393 D21 0.03479 0.00021 -0.02334 0.00424 -0.01909 0.01570 D22 -3.11872 0.00023 -0.01390 0.00299 -0.01087 -3.12960 D23 3.12222 0.00025 -0.00163 0.00421 0.00257 3.12479 D24 -0.03343 0.00022 0.00874 0.00315 0.01190 -0.02154 D25 -0.02807 -0.00025 0.01541 -0.00209 0.01331 -0.01476 D26 3.09946 -0.00028 0.02578 -0.00314 0.02263 3.12209 D27 -3.13915 -0.00004 0.01180 -0.00163 0.01022 -3.12894 D28 0.00086 -0.00009 0.01403 -0.00439 0.00967 0.01053 D29 0.01415 -0.00006 0.00251 -0.00040 0.00214 0.01629 D30 -3.12902 -0.00010 0.00474 -0.00316 0.00160 -3.12742 D31 3.03789 -0.00004 0.04602 -0.00341 0.04273 3.08062 D32 -0.04460 0.00002 0.00401 0.00224 0.00623 -0.03837 D33 -0.10531 -0.00009 0.04827 -0.00621 0.04217 -0.06313 D34 3.09539 -0.00003 0.00627 -0.00056 0.00568 3.10106 D35 -3.02462 0.00009 -0.05769 0.00584 -0.05178 -3.07640 D36 0.15243 0.00042 -0.07790 0.00733 -0.07051 0.08192 D37 0.05117 -0.00008 -0.01059 -0.00048 -0.01107 0.04010 D38 -3.05497 0.00026 -0.03080 0.00100 -0.02980 -3.08476 D39 -0.01278 0.00019 0.00028 0.00044 0.00070 -0.01208 D40 -3.13953 0.00022 -0.01066 0.00154 -0.00914 3.13451 D41 3.09588 -0.00009 0.01897 -0.00094 0.01806 3.11394 D42 -0.03087 -0.00005 0.00803 0.00016 0.00822 -0.02265 Item Value Threshold Converged? Maximum Force 0.002193 0.000450 NO RMS Force 0.000471 0.000300 NO Maximum Displacement 0.260008 0.001800 NO RMS Displacement 0.046608 0.001200 NO Predicted change in Energy=-6.755262D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.033478 -4.987907 2.123198 2 6 0 7.271830 -4.945124 3.638482 3 8 0 6.901734 -6.311347 1.604365 4 8 0 2.698755 -2.003655 0.290362 5 6 0 3.600366 -2.711484 0.750641 6 7 0 4.929981 -2.283952 0.713395 7 6 0 6.027579 -2.980166 1.171333 8 8 0 7.167057 -2.487348 1.095563 9 7 0 5.797539 -4.244074 1.717521 10 6 0 4.485854 -4.736041 1.824935 11 6 0 3.415005 -4.031296 1.366200 12 1 0 7.838356 -4.470422 1.626442 13 1 0 8.179055 -5.496194 3.877938 14 1 0 7.402109 -3.909180 3.946279 15 1 0 5.120588 -1.384027 0.313779 16 53 0 4.027647 -6.603042 2.733156 17 1 0 2.413723 -4.398295 1.436822 18 1 0 6.452321 -5.384553 4.195994 19 1 0 7.721023 -6.693892 1.287594 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.534512 0.000000 3 O 1.427600 2.478139 0.000000 4 O 5.572690 6.385544 6.160183 0.000000 5 C 4.341920 5.177685 4.958517 1.235225 0.000000 6 N 3.704540 4.595893 4.571821 2.288208 1.397156 7 C 2.439037 3.390582 3.471085 3.579211 2.478010 8 O 2.706782 3.538090 3.866813 4.565964 3.590332 9 N 1.498468 2.520932 2.346416 4.081510 2.848027 10 C 2.577360 3.330815 2.892528 3.607572 2.457037 11 C 3.818573 4.568747 4.172846 2.404530 1.468051 12 H 1.078140 2.143502 2.065612 5.855386 4.671343 13 H 2.156343 1.088152 2.732244 7.423087 6.204756 14 H 2.150155 1.088528 3.391954 6.254462 5.108799 15 H 4.463305 5.325684 5.395978 2.499952 2.064960 16 I 3.466371 3.754068 3.101553 5.374714 4.388298 17 H 4.707535 5.361672 4.881607 2.670189 2.173545 18 H 2.188962 1.084210 2.788811 6.385428 5.210509 19 H 2.020232 2.964226 0.958080 6.943772 5.755667 6 7 8 9 10 6 N 0.000000 7 C 1.378094 0.000000 8 O 2.278581 1.243793 0.000000 9 N 2.367067 1.395960 2.312682 0.000000 10 C 2.728646 2.426357 3.574556 1.405021 0.000000 11 C 2.403022 2.822833 4.066314 2.417679 1.361552 12 H 3.751393 2.388912 2.159874 2.055350 3.368860 13 H 5.557816 4.276091 4.221245 3.450627 4.293296 14 H 4.382274 3.233068 3.194282 2.766616 3.699777 15 H 1.002940 2.026251 2.452863 3.257088 3.731284 16 I 4.852646 4.423149 5.429230 3.119096 2.126149 17 H 3.365315 3.891211 5.134428 3.398939 2.135048 18 H 4.905073 3.887165 4.303175 2.805755 3.147933 19 H 5.250446 4.083262 4.247207 3.144238 3.819454 11 12 13 14 15 11 C 0.000000 12 H 4.452706 0.000000 13 H 5.581302 2.497503 0.000000 14 H 4.750655 2.426304 1.768313 0.000000 15 H 3.320336 4.316848 6.242385 4.977630 0.000000 16 I 2.976202 4.504929 4.446327 4.485037 5.855426 17 H 1.068756 5.428425 6.356373 5.605409 4.204063 18 H 4.366272 3.059302 1.759328 1.772338 5.731432 19 H 5.063338 2.252200 2.890355 3.863280 5.992098 16 17 18 19 16 I 0.000000 17 H 3.024259 0.000000 18 H 3.082800 4.989590 0.000000 19 H 3.967232 5.784416 3.432603 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.138547 2.109759 -0.173637 2 6 0 0.434861 2.585659 1.167798 3 8 0 0.847599 1.965868 -1.195817 4 8 0 -3.090350 -2.613050 0.018239 5 6 0 -2.364696 -1.613472 0.010990 6 7 0 -2.919623 -0.331284 0.001131 7 6 0 -2.228223 0.860484 -0.027108 8 8 0 -2.835963 1.945665 -0.019719 9 7 0 -0.834587 0.787532 -0.061160 10 6 0 -0.194200 -0.462350 -0.018901 11 6 0 -0.896721 -1.628328 0.009069 12 1 0 -0.907204 2.796282 -0.490243 13 1 0 0.925716 3.547127 1.030992 14 1 0 -0.381730 2.709276 1.876877 15 1 0 -3.919564 -0.254632 0.012534 16 53 0 1.921026 -0.670536 0.035751 17 1 0 -0.420363 -2.584704 0.034896 18 1 0 1.160692 1.890383 1.574335 19 1 0 0.962393 2.742568 -1.744885 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8433742 0.4615753 0.3170998 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.8983733298 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2610. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.67D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999997 -0.001686 0.001716 0.000152 Ang= -0.28 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.395773829 A.U. after 15 cycles NFock= 15 Conv=0.42D-08 -V/T= 2.3635 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 740 LenP2D= 2610. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.001328110 0.005120996 -0.002336390 2 6 -0.001572351 -0.000065051 0.000236168 3 8 0.003404815 -0.004522148 0.000378562 4 8 -0.000313621 0.000491839 0.000562366 5 6 0.000119010 -0.000254857 -0.002320847 6 7 0.000090705 0.001185974 0.000032804 7 6 0.002937681 0.003410928 -0.001636537 8 8 -0.001631236 -0.001064122 0.000153138 9 7 0.004736401 -0.001509319 0.003359887 10 6 -0.002953627 -0.002101964 -0.000657137 11 6 -0.000189926 -0.000016652 0.000590194 12 1 0.000031241 -0.000760687 -0.000119291 13 1 0.001142547 -0.000125490 -0.000203265 14 1 0.000172503 -0.000551396 0.000682669 15 1 -0.000286728 -0.000496617 0.000400084 16 53 -0.001404637 -0.000010898 0.000607122 17 1 -0.000758455 -0.000325484 0.000415443 18 1 -0.000231272 -0.000092462 0.000052681 19 1 -0.001964939 0.001687410 -0.000197650 ------------------------------------------------------------------- Cartesian Forces: Max 0.005120996 RMS 0.001704866 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005356477 RMS 0.001134644 Search for a local minimum. Step number 14 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 13 14 DE= -1.21D-04 DEPred=-6.76D-05 R= 1.79D+00 TightC=F SS= 1.41D+00 RLast= 4.83D-01 DXNew= 1.9885D+00 1.4489D+00 Trust test= 1.79D+00 RLast= 4.83D-01 DXMaxT set to 1.45D+00 ITU= 1 1 1 1 1 0 1 1 1 0 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00077 0.00208 0.01107 0.01558 0.01762 Eigenvalues --- 0.01934 0.02002 0.02220 0.02485 0.03246 Eigenvalues --- 0.04242 0.05299 0.05565 0.05700 0.05990 Eigenvalues --- 0.06919 0.08930 0.14143 0.15536 0.15899 Eigenvalues --- 0.16017 0.16048 0.16137 0.16927 0.17740 Eigenvalues --- 0.21635 0.23469 0.23595 0.24735 0.25034 Eigenvalues --- 0.25067 0.28595 0.31233 0.34510 0.34825 Eigenvalues --- 0.35105 0.35180 0.37356 0.40271 0.42104 Eigenvalues --- 0.42739 0.43349 0.44985 0.46327 0.48186 Eigenvalues --- 0.50476 0.56268 0.67335 0.88845 0.97549 Eigenvalues --- 1.68380 RFO step: Lambda=-1.16554348D-03 EMin=-7.65274450D-04 Skip linear search -- no minimum in search direction. Iteration 1 RMS(Cart)= 0.05651658 RMS(Int)= 0.06512356 Iteration 2 RMS(Cart)= 0.03129103 RMS(Int)= 0.02920626 Iteration 3 RMS(Cart)= 0.02578116 RMS(Int)= 0.00203780 Iteration 4 RMS(Cart)= 0.00200608 RMS(Int)= 0.00019763 Iteration 5 RMS(Cart)= 0.00000903 RMS(Int)= 0.00019755 Iteration 6 RMS(Cart)= 0.00000000 RMS(Int)= 0.00019755 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89981 0.00066 0.00000 -0.00541 -0.00541 2.89440 R2 2.69777 0.00243 0.00000 -0.01128 -0.01128 2.68649 R3 2.83169 -0.00104 0.00000 0.03859 0.03859 2.87028 R4 2.03739 -0.00029 0.00000 -0.00280 -0.00280 2.03459 R5 2.05631 0.00097 0.00000 -0.00719 -0.00719 2.04912 R6 2.05702 -0.00031 0.00000 -0.00008 -0.00008 2.05694 R7 2.04886 0.00024 0.00000 0.00101 0.00101 2.04987 R8 1.81051 -0.00229 0.00000 -0.00482 -0.00482 1.80569 R9 2.33424 0.00030 0.00000 -0.00005 -0.00005 2.33419 R10 2.64024 0.00052 0.00000 0.00039 0.00026 2.64050 R11 2.77422 0.00112 0.00000 -0.00167 -0.00177 2.77244 R12 2.60422 0.00067 0.00000 -0.00075 -0.00079 2.60343 R13 1.89528 -0.00066 0.00000 0.00043 0.00043 1.89571 R14 2.35043 -0.00193 0.00000 0.00451 0.00451 2.35494 R15 2.63798 0.00311 0.00000 -0.00475 -0.00464 2.63334 R16 2.65511 0.00536 0.00000 -0.00801 -0.00788 2.64723 R17 2.57296 0.00080 0.00000 0.00064 0.00068 2.57364 R18 4.01784 0.00057 0.00000 -0.00278 -0.00278 4.01506 R19 2.01966 0.00085 0.00000 -0.00089 -0.00089 2.01877 A1 1.98128 -0.00201 0.00000 -0.02827 -0.02820 1.95309 A2 1.96233 0.00002 0.00000 -0.01186 -0.01170 1.95064 A3 1.90248 0.00105 0.00000 -0.00441 -0.00456 1.89793 A4 1.86050 0.00212 0.00000 0.04824 0.04820 1.90871 A5 1.92453 -0.00042 0.00000 0.00947 0.00919 1.93372 A6 1.82632 -0.00066 0.00000 -0.01083 -0.01115 1.81517 A7 1.90994 -0.00074 0.00000 -0.00266 -0.00266 1.90728 A8 1.90112 0.00129 0.00000 -0.00721 -0.00721 1.89390 A9 1.95958 -0.00017 0.00000 0.00231 0.00230 1.96188 A10 1.89648 -0.00042 0.00000 0.01232 0.01232 1.90880 A11 1.88785 0.00042 0.00000 -0.00098 -0.00098 1.88688 A12 1.90793 -0.00040 0.00000 -0.00325 -0.00326 1.90467 A13 1.99478 -0.00073 0.00000 0.01586 0.01586 2.01065 A14 2.10522 -0.00022 0.00000 0.00026 0.00024 2.10546 A15 2.18861 -0.00024 0.00000 0.00025 0.00023 2.18884 A16 1.98935 0.00046 0.00000 -0.00056 -0.00079 1.98856 A17 2.20745 0.00038 0.00000 -0.00134 -0.00142 2.20603 A18 2.05562 -0.00033 0.00000 0.00051 0.00051 2.05613 A19 2.02011 -0.00005 0.00000 0.00087 0.00088 2.02099 A20 2.10511 0.00022 0.00000 -0.00534 -0.00561 2.09950 A21 2.04449 0.00031 0.00000 0.00251 0.00254 2.04703 A22 2.13358 -0.00052 0.00000 0.00290 0.00262 2.13620 A23 2.00363 -0.00238 0.00000 0.01388 0.01301 2.01664 A24 2.18401 0.00348 0.00000 -0.01020 -0.01102 2.17299 A25 2.09530 -0.00111 0.00000 -0.00228 -0.00258 2.09271 A26 2.12616 -0.00066 0.00000 0.00445 0.00454 2.13069 A27 2.14280 0.00285 0.00000 -0.00934 -0.00966 2.13314 A28 2.01412 -0.00219 0.00000 0.00539 0.00505 2.01917 A29 2.10285 0.00062 0.00000 -0.00239 -0.00239 2.10046 A30 2.04285 -0.00011 0.00000 0.00010 0.00003 2.04288 A31 2.13748 -0.00051 0.00000 0.00237 0.00230 2.13977 D1 1.02978 -0.00071 0.00000 0.00040 0.00044 1.03022 D2 3.10082 -0.00089 0.00000 0.00951 0.00954 3.11035 D3 -1.06666 -0.00063 0.00000 0.00195 0.00199 -1.06467 D4 -3.13957 0.00061 0.00000 0.03407 0.03409 -3.10548 D5 -1.06853 0.00043 0.00000 0.04318 0.04319 -1.02534 D6 1.04717 0.00069 0.00000 0.03562 0.03564 1.08282 D7 -1.12272 0.00046 0.00000 0.01118 0.01113 -1.11160 D8 0.94831 0.00028 0.00000 0.02028 0.02023 0.96854 D9 3.06402 0.00054 0.00000 0.01273 0.01268 3.07669 D10 -1.61942 -0.00042 0.00000 -0.55336 -0.55348 -2.17290 D11 2.49373 -0.00068 0.00000 -0.55489 -0.55450 1.93923 D12 0.52097 -0.00081 0.00000 -0.57225 -0.57253 -0.05156 D13 1.78146 0.00124 0.00000 -0.01502 -0.01498 1.76647 D14 -1.38406 0.00097 0.00000 0.05332 0.05342 -1.33064 D15 -2.32007 0.00022 0.00000 -0.02410 -0.02415 -2.34422 D16 0.79760 -0.00004 0.00000 0.04424 0.04425 0.84185 D17 -0.28087 0.00037 0.00000 0.00298 0.00290 -0.27797 D18 2.83680 0.00011 0.00000 0.07132 0.07130 2.90810 D19 -3.12397 -0.00043 0.00000 -0.01279 -0.01280 -3.13676 D20 0.01393 -0.00040 0.00000 0.00116 0.00123 0.01516 D21 0.01570 0.00037 0.00000 -0.03660 -0.03661 -0.02091 D22 -3.12960 0.00040 0.00000 -0.02265 -0.02258 3.13101 D23 3.12479 0.00038 0.00000 -0.00471 -0.00472 3.12007 D24 -0.02154 0.00027 0.00000 0.01243 0.01250 -0.00904 D25 -0.01476 -0.00047 0.00000 0.02042 0.02042 0.00566 D26 3.12209 -0.00058 0.00000 0.03756 0.03764 -3.12345 D27 -3.12894 -0.00016 0.00000 -0.00352 -0.00327 -3.13221 D28 0.01053 -0.00010 0.00000 0.03051 0.03056 0.04110 D29 0.01629 -0.00019 0.00000 -0.01722 -0.01706 -0.00076 D30 -3.12742 -0.00013 0.00000 0.01680 0.01678 -3.11064 D31 3.08062 -0.00022 0.00000 0.05771 0.05815 3.13877 D32 -0.03837 -0.00004 0.00000 -0.00673 -0.00674 -0.04511 D33 -0.06313 -0.00016 0.00000 0.09232 0.09274 0.02960 D34 3.10106 0.00002 0.00000 0.02788 0.02785 3.12892 D35 -3.07640 0.00019 0.00000 -0.07859 -0.07817 3.12861 D36 0.08192 0.00099 0.00000 -0.11688 -0.11640 -0.03447 D37 0.04010 -0.00010 0.00000 -0.00673 -0.00679 0.03331 D38 -3.08476 0.00070 0.00000 -0.04501 -0.04501 -3.12978 D39 -0.01208 0.00034 0.00000 -0.00082 -0.00076 -0.01284 D40 3.13451 0.00046 0.00000 -0.01890 -0.01896 3.11555 D41 3.11394 -0.00035 0.00000 0.03468 0.03499 -3.13425 D42 -0.02265 -0.00024 0.00000 0.01660 0.01679 -0.00586 Item Value Threshold Converged? Maximum Force 0.005356 0.000450 NO RMS Force 0.001135 0.000300 NO Maximum Displacement 0.480320 0.001800 NO RMS Displacement 0.082171 0.001200 NO Predicted change in Energy=-1.100440D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.052897 -5.011846 2.155215 2 6 0 7.228614 -4.924808 3.674260 3 8 0 6.990144 -6.358813 1.704916 4 8 0 2.705166 -1.983089 0.354898 5 6 0 3.610167 -2.702009 0.790606 6 7 0 4.945474 -2.301305 0.696682 7 6 0 6.043750 -3.007718 1.135719 8 8 0 7.189265 -2.535498 1.002429 9 7 0 5.814723 -4.266487 1.687899 10 6 0 4.503703 -4.740003 1.827157 11 6 0 3.426646 -4.022607 1.402784 12 1 0 7.866148 -4.488224 1.682309 13 1 0 8.140726 -5.437375 3.959114 14 1 0 7.301782 -3.875468 3.954150 15 1 0 5.138345 -1.410247 0.278163 16 53 0 4.069074 -6.637761 2.677960 17 1 0 2.425192 -4.385625 1.483684 18 1 0 6.404022 -5.379648 4.212634 19 1 0 7.628162 -6.593472 1.033420 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531649 0.000000 3 O 1.421628 2.447765 0.000000 4 O 5.596184 6.335097 6.271407 0.000000 5 C 4.364618 5.133172 5.062847 1.235198 0.000000 6 N 3.730360 4.578370 4.654093 2.288461 1.397293 7 C 2.464605 3.394603 3.528383 3.578504 2.476871 8 O 2.734924 3.584555 3.892412 4.564164 3.589225 9 N 1.518887 2.525491 2.399944 4.081684 2.848297 10 C 2.584552 3.297133 2.969491 3.605947 2.454845 11 C 3.833333 4.519793 4.271728 2.403795 1.467113 12 H 1.076660 2.136569 2.065670 5.888417 4.700965 13 H 2.149069 1.084350 2.693380 7.380229 6.168276 14 H 2.142303 1.088488 3.364992 6.137148 5.001304 15 H 4.490028 5.315529 5.472942 2.500879 2.065569 16 I 3.438032 3.729546 3.091485 5.377995 4.388946 17 H 4.717919 5.306808 4.978072 2.669218 2.172346 18 H 2.188444 1.084747 2.755168 6.332478 5.165816 19 H 2.022596 3.149304 0.955530 6.778783 5.598814 6 7 8 9 10 6 N 0.000000 7 C 1.377673 0.000000 8 O 2.276604 1.246178 0.000000 9 N 2.366442 1.393505 2.314208 0.000000 10 C 2.724038 2.418811 3.571031 1.400851 0.000000 11 C 2.401729 2.819674 4.065597 2.417371 1.361911 12 H 3.779473 2.410766 2.175672 2.063381 3.374968 13 H 5.539678 4.274588 4.250665 3.455385 4.273114 14 H 4.317555 3.206117 3.243584 2.738637 3.619498 15 H 1.003166 2.026592 2.448882 3.256218 3.726853 16 I 4.847514 4.410790 5.419553 3.106517 2.124677 17 H 3.363865 3.887631 5.133320 3.397767 2.136297 18 H 4.895455 3.901699 4.360184 2.821469 3.116225 19 H 5.072761 3.921537 4.081757 3.021880 3.718549 11 12 13 14 15 11 C 0.000000 12 H 4.472596 0.000000 13 H 5.546075 2.481960 0.000000 14 H 4.641961 2.419761 1.772964 0.000000 15 H 3.319505 4.345858 6.227476 4.926526 0.000000 16 I 2.979566 4.475444 4.434031 4.439518 5.850579 17 H 1.068287 5.445547 6.316745 5.490410 4.203256 18 H 4.312956 3.055322 1.756059 1.770690 5.730458 19 H 4.939485 2.215798 3.187314 4.003090 5.799605 16 17 18 19 16 I 0.000000 17 H 3.033275 0.000000 18 H 3.064320 4.926088 0.000000 19 H 3.920916 5.669940 3.616530 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.079309 2.114317 -0.124969 2 6 0 0.453393 2.512796 1.254666 3 8 0 0.959241 2.038282 -1.092781 4 8 0 -3.132574 -2.571799 0.062531 5 6 0 -2.391734 -1.583673 0.040726 6 7 0 -2.926035 -0.294694 -0.033330 7 6 0 -2.214363 0.884359 -0.069948 8 8 0 -2.810788 1.977088 -0.126338 9 7 0 -0.824010 0.791267 -0.080506 10 6 0 -0.207474 -0.464006 0.000477 11 6 0 -0.925125 -1.620329 0.052379 12 1 0 -0.829798 2.825722 -0.424746 13 1 0 0.944358 3.477049 1.184064 14 1 0 -0.387453 2.585356 1.942066 15 1 0 -3.924742 -0.202578 -0.054347 16 53 0 1.905136 -0.689852 0.011686 17 1 0 -0.463530 -2.582977 0.090812 18 1 0 1.169882 1.797291 1.643733 19 1 0 0.830061 2.576933 -1.871373 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8448464 0.4619087 0.3175075 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.5876302557 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2613. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.59D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999966 -0.004361 0.001483 0.006880 Ang= -0.95 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.396929186 A.U. after 17 cycles NFock= 17 Conv=0.45D-08 -V/T= 2.3636 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2613. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.001695487 0.008418144 -0.004019987 2 6 -0.004765753 0.000941590 0.000563955 3 8 0.001081182 -0.002342969 0.002820175 4 8 -0.000436043 0.000988848 0.001194239 5 6 0.000117424 -0.000602460 -0.004506144 6 7 -0.001033676 0.001904750 0.002037847 7 6 0.008094256 0.002930784 -0.008062748 8 8 -0.003116342 -0.001991184 0.002956718 9 7 0.008751659 -0.005795278 0.007004002 10 6 -0.005514881 -0.003493384 -0.001627333 11 6 -0.000016784 -0.000126123 0.001420377 12 1 0.000507272 -0.000240081 -0.001440827 13 1 0.002626193 -0.000552526 -0.000007659 14 1 0.000889401 -0.000646758 0.001488123 15 1 -0.000187745 -0.000633401 0.000698063 16 53 -0.003319520 -0.000671564 0.001103253 17 1 -0.001073144 -0.000516915 0.000886021 18 1 0.000097786 -0.000099392 -0.000335369 19 1 -0.001005798 0.002527918 -0.002172708 ------------------------------------------------------------------- Cartesian Forces: Max 0.008751659 RMS 0.003161463 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.010238759 RMS 0.002414466 Search for a local minimum. Step number 15 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 14 15 DE= -1.16D-03 DEPred=-1.10D-03 R= 1.05D+00 TightC=F SS= 1.41D+00 RLast= 1.00D+00 DXNew= 2.4368D+00 3.0085D+00 Trust test= 1.05D+00 RLast= 1.00D+00 DXMaxT set to 2.44D+00 ITU= 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- -0.14921 0.00022 0.00248 0.01120 0.01578 Eigenvalues --- 0.01780 0.01936 0.02017 0.02239 0.02549 Eigenvalues --- 0.04168 0.05336 0.05525 0.05650 0.06007 Eigenvalues --- 0.06559 0.08212 0.10783 0.14248 0.15536 Eigenvalues --- 0.16003 0.16027 0.16087 0.16262 0.17843 Eigenvalues --- 0.21176 0.23468 0.23558 0.24182 0.24960 Eigenvalues --- 0.25039 0.28627 0.31177 0.31957 0.34817 Eigenvalues --- 0.34991 0.35162 0.36275 0.37855 0.42016 Eigenvalues --- 0.42739 0.43312 0.44715 0.45771 0.48136 Eigenvalues --- 0.50231 0.56279 0.66407 0.88783 0.97733 Eigenvalues --- 1.61386 RFO step: Lambda=-1.50078663D-01 EMin=-1.49214910D-01 I= 1 Eig= -1.49D-01 Dot1= -6.82D-03 I= 1 Stepn= -6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 6.82D-03. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= -1.47D-03. Skip linear search -- no minimum in search direction. Iteration 1 RMS(Cart)= 0.14399827 RMS(Int)= 0.00680412 Iteration 2 RMS(Cart)= 0.01057715 RMS(Int)= 0.00221745 Iteration 3 RMS(Cart)= 0.00004416 RMS(Int)= 0.00221710 Iteration 4 RMS(Cart)= 0.00000016 RMS(Int)= 0.00221710 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89440 0.00154 0.00000 -0.00469 -0.00469 2.88971 R2 2.68649 -0.00038 0.00000 -0.11015 -0.11015 2.57634 R3 2.87028 -0.00673 0.00000 -0.17183 -0.17183 2.69845 R4 2.03459 0.00090 0.00000 0.04105 0.04105 2.07564 R5 2.04912 0.00247 0.00000 0.03312 0.03312 2.08225 R6 2.05694 -0.00018 0.00000 0.01347 0.01347 2.07042 R7 2.04987 -0.00020 0.00000 -0.01393 -0.01393 2.03594 R8 1.80569 0.00023 0.00000 0.12782 0.12782 1.93352 R9 2.33419 0.00047 0.00000 -0.00014 -0.00014 2.33405 R10 2.64050 0.00070 0.00000 -0.00152 -0.00156 2.63894 R11 2.77244 0.00200 0.00000 0.00889 0.00818 2.78062 R12 2.60343 0.00118 0.00000 0.00494 0.00555 2.60897 R13 1.89571 -0.00089 0.00000 0.00486 0.00486 1.90057 R14 2.35494 -0.00394 0.00000 -0.01630 -0.01630 2.33864 R15 2.63334 0.00319 0.00000 -0.03396 -0.03334 2.60001 R16 2.64723 0.01024 0.00000 0.02301 0.02312 2.67035 R17 2.57364 0.00090 0.00000 -0.01088 -0.01145 2.56219 R18 4.01506 0.00172 0.00000 0.03707 0.03707 4.05212 R19 2.01877 0.00125 0.00000 -0.00705 -0.00705 2.01172 A1 1.95309 -0.00084 0.00000 0.10621 0.10638 2.05947 A2 1.95064 0.00176 0.00000 0.06080 0.06398 2.01461 A3 1.89793 0.00135 0.00000 0.01792 0.01490 1.91283 A4 1.90871 -0.00053 0.00000 -0.20393 -0.20418 1.70453 A5 1.93372 -0.00055 0.00000 0.01707 0.00860 1.94232 A6 1.81517 -0.00120 0.00000 -0.00448 -0.00750 1.80767 A7 1.90728 -0.00132 0.00000 -0.02799 -0.02801 1.87927 A8 1.89390 0.00266 0.00000 0.03451 0.03454 1.92844 A9 1.96188 -0.00049 0.00000 -0.00973 -0.01000 1.95189 A10 1.90880 -0.00103 0.00000 -0.01798 -0.01769 1.89111 A11 1.88688 0.00070 0.00000 0.00690 0.00658 1.89346 A12 1.90467 -0.00057 0.00000 0.01349 0.01329 1.91796 A13 2.01065 -0.00352 0.00000 -0.11778 -0.11778 1.89286 A14 2.10546 -0.00044 0.00000 -0.00610 -0.00609 2.09938 A15 2.18884 -0.00031 0.00000 0.00355 0.00356 2.19240 A16 1.98856 0.00079 0.00000 0.00325 0.00284 1.99140 A17 2.20603 0.00081 0.00000 0.00948 0.01063 2.21666 A18 2.05613 -0.00040 0.00000 0.00451 0.00391 2.06004 A19 2.02099 -0.00042 0.00000 -0.01396 -0.01453 2.00646 A20 2.09950 0.00193 0.00000 0.05387 0.04451 2.14401 A21 2.04703 0.00007 0.00000 -0.02799 -0.03333 2.01370 A22 2.13620 -0.00195 0.00000 -0.01959 -0.02669 2.10951 A23 2.01664 -0.00913 0.00000 -0.15129 -0.15192 1.86471 A24 2.17299 0.00983 0.00000 0.10385 0.10338 2.27636 A25 2.09271 -0.00068 0.00000 0.04786 0.04893 2.14164 A26 2.13069 -0.00217 0.00000 -0.03289 -0.03298 2.09772 A27 2.13314 0.00708 0.00000 0.04875 0.04869 2.18183 A28 2.01917 -0.00488 0.00000 -0.01547 -0.01553 2.00364 A29 2.10046 0.00122 0.00000 0.00416 0.00325 2.10371 A30 2.04288 -0.00016 0.00000 0.00367 0.00396 2.04684 A31 2.13977 -0.00106 0.00000 -0.00753 -0.00723 2.13255 D1 1.03022 -0.00001 0.00000 0.07205 0.07252 1.10274 D2 3.11035 -0.00045 0.00000 0.05442 0.05459 -3.11824 D3 -1.06467 0.00032 0.00000 0.08861 0.08888 -0.97579 D4 -3.10548 -0.00001 0.00000 -0.07100 -0.07072 3.10699 D5 -1.02534 -0.00046 0.00000 -0.08863 -0.08865 -1.11399 D6 1.08282 0.00032 0.00000 -0.05444 -0.05436 1.02846 D7 -1.11160 0.00030 0.00000 -0.03228 -0.03254 -1.14413 D8 0.96854 -0.00014 0.00000 -0.04991 -0.05046 0.91807 D9 3.07669 0.00063 0.00000 -0.01572 -0.01617 3.06052 D10 -2.17290 -0.00139 0.00000 -0.09497 -0.09848 -2.27138 D11 1.93923 -0.00268 0.00000 -0.09919 -0.09529 1.84394 D12 -0.05156 -0.00063 0.00000 0.01356 0.01316 -0.03840 D13 1.76647 0.00160 0.00000 -0.00326 -0.00252 1.76396 D14 -1.33064 0.00114 0.00000 -0.01470 -0.01424 -1.34488 D15 -2.34422 0.00138 0.00000 0.02778 0.02495 -2.31927 D16 0.84185 0.00091 0.00000 0.01634 0.01323 0.85507 D17 -0.27797 -0.00015 0.00000 -0.05132 -0.04881 -0.32678 D18 2.90810 -0.00062 0.00000 -0.06276 -0.06053 2.84757 D19 -3.13676 -0.00064 0.00000 0.01004 0.01031 -3.12646 D20 0.01516 -0.00070 0.00000 0.00676 0.00801 0.02317 D21 -0.02091 0.00100 0.00000 0.03815 0.03987 0.01895 D22 3.13101 0.00095 0.00000 0.03488 0.03757 -3.11461 D23 3.12007 0.00107 0.00000 0.04169 0.04259 -3.12052 D24 -0.00904 0.00060 0.00000 0.01524 0.01577 0.00674 D25 0.00566 -0.00067 0.00000 0.01218 0.01136 0.01702 D26 -3.12345 -0.00114 0.00000 -0.01428 -0.01546 -3.13891 D27 -3.13221 0.00066 0.00000 0.12005 0.12495 -3.00726 D28 0.04110 -0.00113 0.00000 -0.09777 -0.09665 -0.05555 D29 -0.00076 0.00071 0.00000 0.12336 0.12727 0.12651 D30 -3.11064 -0.00107 0.00000 -0.09446 -0.09432 3.07822 D31 3.13877 0.00017 0.00000 0.09154 0.09086 -3.05356 D32 -0.04511 0.00092 0.00000 0.10427 0.10351 0.05840 D33 0.02960 -0.00173 0.00000 -0.13263 -0.12738 -0.09778 D34 3.12892 -0.00099 0.00000 -0.11990 -0.11473 3.01419 D35 3.12861 -0.00040 0.00000 -0.05353 -0.05147 3.07714 D36 -0.03447 0.00107 0.00000 -0.03101 -0.02980 -0.06427 D37 0.03331 -0.00071 0.00000 -0.06082 -0.06051 -0.02719 D38 -3.12978 0.00077 0.00000 -0.03830 -0.03883 3.11458 D39 -0.01284 0.00058 0.00000 0.00118 -0.00011 -0.01295 D40 3.11555 0.00108 0.00000 0.02923 0.02814 -3.13949 D41 -3.13425 -0.00095 0.00000 -0.02073 -0.02045 3.12848 D42 -0.00586 -0.00044 0.00000 0.00732 0.00780 0.00194 Item Value Threshold Converged? Maximum Force 0.010239 0.000450 NO RMS Force 0.002414 0.000300 NO Maximum Displacement 0.529703 0.001800 NO RMS Displacement 0.148252 0.001200 NO Predicted change in Energy=-3.346936D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.006508 -4.950111 2.181540 2 6 0 7.269397 -4.815495 3.681915 3 8 0 6.823469 -6.201996 1.673622 4 8 0 2.811727 -1.987025 0.362529 5 6 0 3.676393 -2.762581 0.782527 6 7 0 5.025596 -2.405441 0.735406 7 6 0 6.101414 -3.165998 1.148016 8 8 0 7.255768 -2.723000 1.200523 9 7 0 5.783201 -4.376435 1.719491 10 6 0 4.455272 -4.849955 1.815419 11 6 0 3.426568 -4.091470 1.362861 12 1 0 7.776062 -4.401351 1.621995 13 1 0 8.219432 -5.328275 3.902421 14 1 0 7.373995 -3.760895 3.959867 15 1 0 5.261953 -1.498252 0.371187 16 53 0 3.880593 -6.741132 2.646791 17 1 0 2.414338 -4.415960 1.421014 18 1 0 6.489953 -5.273463 4.267975 19 1 0 7.432361 -6.313165 0.858899 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.529169 0.000000 3 O 1.363342 2.480822 0.000000 4 O 5.448382 6.236135 5.964815 0.000000 5 C 4.222817 5.052779 4.746336 1.235125 0.000000 6 N 3.534213 4.418701 4.304233 2.283708 1.396466 7 C 2.251760 3.241245 3.164634 3.581760 2.485367 8 O 2.446333 3.245925 3.537530 4.581854 3.603916 9 N 1.427961 2.500531 2.101650 4.047257 2.814439 10 C 2.579318 3.377025 2.730655 3.606729 2.455737 11 C 3.771401 4.546378 4.011213 2.409852 1.471443 12 H 1.098381 2.161364 2.037749 5.662141 4.494169 13 H 2.139071 1.101877 2.771217 7.275854 6.079122 14 H 2.170651 1.095618 3.389538 6.074681 4.976382 15 H 4.270384 5.098514 5.124439 2.498515 2.069234 16 I 3.632569 4.032809 3.146147 5.381623 4.398413 17 H 4.685269 5.370558 4.763840 2.679186 2.175801 18 H 2.173614 1.077374 2.775621 6.291465 5.135075 19 H 1.946444 3.199843 1.023172 6.349183 5.169116 6 7 8 9 10 6 N 0.000000 7 C 1.380608 0.000000 8 O 2.300183 1.237553 0.000000 9 N 2.329637 1.375864 2.274121 0.000000 10 C 2.732644 2.447635 3.569987 1.413088 0.000000 11 C 2.406924 2.838566 4.069623 2.400440 1.355854 12 H 3.512087 2.134291 1.806988 1.995399 3.356531 13 H 5.364097 4.092455 3.875095 3.406817 4.330505 14 H 4.213002 3.143226 2.950455 2.815812 3.782017 15 H 1.005739 2.022260 2.482560 3.220802 3.737706 16 I 4.874694 4.467656 5.443241 3.173577 2.144291 17 H 3.366142 3.902750 5.133631 3.382291 2.123516 18 H 4.780056 3.785038 4.062093 2.792656 3.214703 19 H 4.591086 3.429237 3.610703 2.685380 3.452386 11 12 13 14 15 11 C 0.000000 12 H 4.368211 0.000000 13 H 5.563326 2.501221 0.000000 14 H 4.736655 2.457130 1.781780 0.000000 15 H 3.328188 4.038966 5.990440 4.739083 0.000000 16 I 2.979148 4.658267 4.732684 4.775965 5.879993 17 H 1.064559 5.365509 6.378779 5.610088 4.209996 18 H 4.384190 3.068529 1.768540 1.778855 5.562837 19 H 4.608284 2.086978 3.294316 4.016652 5.303953 16 17 18 19 16 I 0.000000 17 H 3.009794 0.000000 18 H 3.404563 5.044912 0.000000 19 H 3.999345 5.394062 3.686585 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.549068 2.067609 -0.128142 2 6 0 -0.182900 2.668622 1.229452 3 8 0 0.424621 1.995301 -1.079668 4 8 0 -2.730904 -2.917702 0.138559 5 6 0 -2.117973 -1.848677 0.054683 6 7 0 -2.815396 -0.643060 -0.046341 7 6 0 -2.275264 0.622119 -0.163209 8 8 0 -2.959717 1.651738 -0.108928 9 7 0 -0.901780 0.683999 -0.111123 10 6 0 -0.088513 -0.467893 -0.018610 11 6 0 -0.654275 -1.697904 0.054371 12 1 0 -1.451164 2.558796 -0.517242 13 1 0 0.099507 3.720811 1.064292 14 1 0 -1.045424 2.644843 1.904629 15 1 0 -3.820442 -0.675419 -0.027736 16 53 0 2.055422 -0.460298 0.019770 17 1 0 -0.072313 -2.586362 0.126811 18 1 0 0.650976 2.158070 1.681916 19 1 0 0.057705 2.390508 -1.949188 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8484135 0.4568462 0.3154022 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 383.3057189047 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2627. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.86D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.997282 0.010918 0.000380 -0.072869 Ang= 8.45 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.351414099 A.U. after 17 cycles NFock= 17 Conv=0.32D-08 -V/T= 2.3574 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2627. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.018482718 0.012184531 0.009744216 2 6 0.013351927 -0.007736112 -0.001019425 3 8 0.076937101 -0.095925469 -0.058868238 4 8 -0.001410341 -0.000498995 0.000538422 5 6 0.001248045 -0.000905867 -0.001236766 6 7 0.014051770 0.010005400 -0.013928514 7 6 -0.047115421 0.027804661 0.020706653 8 8 0.005092946 0.024932538 -0.022745236 9 7 -0.027948816 0.054697175 -0.001976298 10 6 0.009279548 -0.001879842 0.001784567 11 6 -0.002644461 0.005678320 -0.002295106 12 1 -0.004234559 -0.020346677 0.020622355 13 1 -0.007659885 0.004540121 0.000467299 14 1 -0.001547889 -0.005764101 -0.003436549 15 1 -0.004306041 -0.002123781 0.000336104 16 53 0.007800206 0.006185384 -0.000783895 17 1 -0.004365867 -0.000753024 -0.000746384 18 1 -0.005145490 -0.002744639 0.004869563 19 1 -0.039865491 -0.007349623 0.047967232 ------------------------------------------------------------------- Cartesian Forces: Max 0.095925469 RMS 0.024256856 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.099371409 RMS 0.024786792 Search for a local minimum. Step number 16 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 16 15 ITU= 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00022 0.00247 0.01124 0.01593 0.01781 Eigenvalues --- 0.01936 0.02022 0.02234 0.02546 0.04150 Eigenvalues --- 0.04929 0.05327 0.05692 0.06025 0.06172 Eigenvalues --- 0.07687 0.09934 0.14146 0.15473 0.16000 Eigenvalues --- 0.16029 0.16042 0.16255 0.17065 0.19487 Eigenvalues --- 0.22908 0.23490 0.23614 0.24824 0.25039 Eigenvalues --- 0.26490 0.28743 0.31193 0.34799 0.34942 Eigenvalues --- 0.35156 0.35572 0.37521 0.41999 0.42719 Eigenvalues --- 0.43233 0.44430 0.45436 0.47724 0.48587 Eigenvalues --- 0.55363 0.56454 0.79240 0.88902 0.97777 Eigenvalues --- 1.62377 RFO step: Lambda=-2.31619444D-03 EMin= 2.21230557D-04 Quartic linear search produced a step of -0.92297. Iteration 1 RMS(Cart)= 0.12946329 RMS(Int)= 0.03709065 Iteration 2 RMS(Cart)= 0.02606696 RMS(Int)= 0.00320521 Iteration 3 RMS(Cart)= 0.00343622 RMS(Int)= 0.00068485 Iteration 4 RMS(Cart)= 0.00002960 RMS(Int)= 0.00068428 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00068428 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88971 -0.00034 0.00433 -0.00278 0.00155 2.89126 R2 2.57634 0.09392 0.10166 -0.01604 0.08562 2.66196 R3 2.69845 0.09916 0.15859 0.02098 0.17957 2.87802 R4 2.07564 -0.02364 -0.03788 0.00088 -0.03700 2.03864 R5 2.08225 -0.00862 -0.03057 -0.00103 -0.03160 2.05065 R6 2.07042 -0.00657 -0.01244 0.00030 -0.01214 2.05828 R7 2.03594 0.00754 0.01286 -0.00047 0.01238 2.04833 R8 1.93352 -0.06112 -0.11798 0.00867 -0.10930 1.82421 R9 2.33405 0.00049 0.00013 -0.00017 -0.00004 2.33401 R10 2.63894 -0.00280 0.00144 -0.00059 0.00072 2.63966 R11 2.78062 -0.00473 -0.00755 0.00056 -0.00703 2.77359 R12 2.60897 0.00135 -0.00512 0.00156 -0.00368 2.60529 R13 1.90057 -0.00305 -0.00449 0.00062 -0.00387 1.89670 R14 2.33864 0.01271 0.01504 0.00006 0.01510 2.35374 R15 2.60001 0.05619 0.03077 -0.00046 0.03036 2.63037 R16 2.67035 -0.00908 -0.02134 0.00185 -0.01935 2.65100 R17 2.56219 0.00797 0.01056 -0.00086 0.00982 2.57201 R18 4.05212 -0.00785 -0.03421 0.00328 -0.03093 4.02119 R19 2.01172 0.00434 0.00650 -0.00042 0.00609 2.01781 A1 2.05947 -0.03764 -0.09819 -0.02375 -0.12242 1.93705 A2 2.01461 -0.03655 -0.05905 -0.00016 -0.05816 1.95645 A3 1.91283 0.00979 -0.01376 0.00030 -0.01420 1.89863 A4 1.70453 0.06442 0.18845 0.02976 0.21840 1.92294 A5 1.94232 0.00034 -0.00794 0.00389 -0.00566 1.93666 A6 1.80767 0.00762 0.00692 -0.00576 0.00066 1.80832 A7 1.87927 0.00384 0.02585 -0.00564 0.02022 1.89950 A8 1.92844 -0.00384 -0.03188 0.00072 -0.03117 1.89727 A9 1.95189 0.00130 0.00923 0.00119 0.01047 1.96235 A10 1.89111 -0.00002 0.01633 0.00441 0.02067 1.91178 A11 1.89346 -0.00167 -0.00608 0.00121 -0.00479 1.88867 A12 1.91796 0.00045 -0.01227 -0.00181 -0.01405 1.90391 A13 1.89286 0.02767 0.10871 -0.00427 0.10444 1.99730 A14 2.09938 0.00196 0.00562 0.00064 0.00621 2.10559 A15 2.19240 -0.00144 -0.00329 -0.00013 -0.00345 2.18895 A16 1.99140 -0.00052 -0.00262 -0.00048 -0.00329 1.98811 A17 2.21666 0.00088 -0.00981 0.00073 -0.00929 2.20737 A18 2.06004 -0.00396 -0.00361 0.00030 -0.00325 2.05679 A19 2.00646 0.00308 0.01341 -0.00109 0.01240 2.01886 A20 2.14401 -0.03765 -0.04108 -0.00142 -0.04216 2.10185 A21 2.01370 0.01037 0.03077 0.00044 0.03163 2.04532 A22 2.10951 0.02935 0.02463 0.00142 0.02637 2.13588 A23 1.86471 0.09937 0.14022 -0.00055 0.13878 2.00349 A24 2.27636 -0.06737 -0.09541 0.00115 -0.09464 2.18172 A25 2.14164 -0.03205 -0.04516 -0.00192 -0.04724 2.09441 A26 2.09772 0.01883 0.03044 0.00153 0.03215 2.12987 A27 2.18183 -0.02167 -0.04494 -0.00042 -0.04564 2.13619 A28 2.00364 0.00284 0.01433 -0.00111 0.01285 2.01649 A29 2.10371 0.00281 -0.00300 -0.00034 -0.00321 2.10050 A30 2.04684 -0.00237 -0.00365 0.00006 -0.00375 2.04308 A31 2.13255 -0.00041 0.00667 0.00037 0.00690 2.13945 D1 1.10274 -0.01725 -0.06693 0.00127 -0.06536 1.03739 D2 -3.11824 -0.01715 -0.05039 0.00364 -0.04637 3.11858 D3 -0.97579 -0.01841 -0.08204 0.00267 -0.07901 -1.05480 D4 3.10699 0.01253 0.06527 0.02361 0.08885 -3.08735 D5 -1.11399 0.01264 0.08182 0.02599 0.10784 -1.00615 D6 1.02846 0.01137 0.05017 0.02501 0.07520 1.10366 D7 -1.14413 0.00602 0.03003 0.01636 0.04600 -1.09813 D8 0.91807 0.00612 0.04658 0.01874 0.06499 0.98306 D9 3.06052 0.00486 0.01493 0.01777 0.03235 3.09287 D10 -2.27138 0.00169 0.09089 -0.46182 -0.37199 -2.64337 D11 1.84394 0.01972 0.08795 -0.47103 -0.38163 1.46231 D12 -0.03840 -0.01795 -0.01215 -0.47916 -0.49169 -0.53009 D13 1.76396 0.00387 0.00232 -0.00554 -0.00384 1.76011 D14 -1.34488 0.00535 0.01314 0.04112 0.05449 -1.29040 D15 -2.31927 -0.01659 -0.02303 -0.01419 -0.03746 -2.35673 D16 0.85507 -0.01511 -0.01221 0.03248 0.02087 0.87595 D17 -0.32678 0.00665 0.04505 -0.00187 0.04277 -0.28400 D18 2.84757 0.00814 0.05587 0.04480 0.10110 2.94867 D19 -3.12646 -0.00183 -0.00951 -0.00940 -0.01897 3.13776 D20 0.02317 -0.00171 -0.00739 0.00050 -0.00664 0.01653 D21 0.01895 -0.00276 -0.03679 -0.01892 -0.05600 -0.03705 D22 -3.11461 -0.00264 -0.03467 -0.00902 -0.04366 3.12491 D23 -3.12052 -0.00234 -0.03931 0.00181 -0.03769 3.12497 D24 0.00674 -0.00025 -0.01456 0.00928 -0.00490 0.00184 D25 0.01702 -0.00134 -0.01049 0.01192 0.00143 0.01845 D26 -3.13891 0.00075 0.01427 0.01939 0.03422 -3.10469 D27 -3.00726 -0.00983 -0.11532 0.00787 -0.10667 -3.11393 D28 -0.05555 0.00602 0.08920 0.01064 0.10011 0.04456 D29 0.12651 -0.00999 -0.11747 -0.00176 -0.11883 0.00768 D30 3.07822 0.00587 0.08705 0.00100 0.08794 -3.11702 D31 -3.05356 -0.00398 -0.08386 0.04743 -0.03377 -3.08733 D32 0.05840 -0.00642 -0.09553 0.00528 -0.09027 -0.03187 D33 -0.09778 0.00365 0.11757 0.04980 0.16929 0.07151 D34 3.01419 0.00122 0.10589 0.00765 0.11278 3.12697 D35 3.07714 0.00298 0.04751 -0.06412 -0.01384 3.06330 D36 -0.06427 0.00290 0.02750 -0.08394 -0.05381 -0.11808 D37 -0.02719 0.00278 0.05585 -0.01107 0.04440 0.01720 D38 3.11458 0.00270 0.03584 -0.03090 0.00443 3.11901 D39 -0.01295 0.00184 0.00010 0.00167 0.00248 -0.01047 D40 -3.13949 -0.00034 -0.02598 -0.00618 -0.03208 3.11161 D41 3.12848 0.00191 0.01888 0.01956 0.03987 -3.11483 D42 0.00194 -0.00027 -0.00720 0.01171 0.00531 0.00726 Item Value Threshold Converged? Maximum Force 0.099371 0.000450 NO RMS Force 0.024787 0.000300 NO Maximum Displacement 0.453269 0.001800 NO RMS Displacement 0.133487 0.001200 NO Predicted change in Energy=-6.605747D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.074039 -5.009605 2.180384 2 6 0 7.216547 -4.897080 3.699558 3 8 0 7.063329 -6.358081 1.773210 4 8 0 2.723425 -1.974205 0.397412 5 6 0 3.627739 -2.707033 0.810527 6 7 0 4.965665 -2.324531 0.688763 7 6 0 6.064854 -3.042572 1.109356 8 8 0 7.212385 -2.578810 0.969788 9 7 0 5.830256 -4.296050 1.667232 10 6 0 4.515649 -4.762289 1.816967 11 6 0 3.440343 -4.032151 1.413149 12 1 0 7.885296 -4.472244 1.714640 13 1 0 8.143777 -5.373671 4.000676 14 1 0 7.244264 -3.842522 3.970646 15 1 0 5.162361 -1.433729 0.270221 16 53 0 4.071364 -6.681144 2.622363 17 1 0 2.437803 -4.389648 1.498382 18 1 0 6.401387 -5.377631 4.228222 19 1 0 7.403517 -6.509005 0.882504 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.529987 0.000000 3 O 1.408650 2.422564 0.000000 4 O 5.596471 6.295674 6.320281 0.000000 5 C 4.365241 5.101211 5.104918 1.235105 0.000000 6 N 3.725560 4.555147 4.673943 2.288068 1.396847 7 C 2.456577 3.387439 3.525656 3.579584 2.478188 8 O 2.719089 3.581346 3.866600 4.565515 3.590473 9 N 1.522985 2.532468 2.404926 4.081153 2.847806 10 C 2.595881 3.295022 3.006516 3.605637 2.454666 11 C 3.840288 4.498387 4.320373 2.404337 1.467722 12 H 1.078801 2.137197 2.058019 5.883893 4.696827 13 H 2.142509 1.085157 2.664214 7.343030 6.138616 14 H 2.143850 1.089196 3.345070 6.057771 4.935072 15 H 4.482201 5.289124 5.488342 2.501340 2.065986 16 I 3.464888 3.772984 3.126864 5.377975 4.390115 17 H 4.726961 5.285741 5.034456 2.669846 2.172621 18 H 2.186674 1.083928 2.725166 6.307600 5.148384 19 H 2.010287 3.251009 0.965331 6.534752 5.358794 6 7 8 9 10 6 N 0.000000 7 C 1.378658 0.000000 8 O 2.278461 1.245545 0.000000 9 N 2.364700 1.391930 2.312060 0.000000 10 C 2.723605 2.420367 3.571789 1.402851 0.000000 11 C 2.401523 2.821279 4.066580 2.417827 1.361049 12 H 3.766874 2.392559 2.143059 2.063124 3.383654 13 H 5.510573 4.256251 4.226702 3.458122 4.278514 14 H 4.273999 3.196546 3.256245 2.740588 3.595781 15 H 1.003690 2.026578 2.450144 3.254321 3.726925 16 I 4.849604 4.416151 5.424588 3.113623 2.127923 17 H 3.363076 3.888631 5.133729 3.397941 2.134901 18 H 4.889836 3.910637 4.371328 2.838077 3.122308 19 H 4.846698 3.722853 3.935808 2.826326 3.502002 11 12 13 14 15 11 C 0.000000 12 H 4.476850 0.000000 13 H 5.533287 2.470899 0.000000 14 H 4.587653 2.428380 1.776075 0.000000 15 H 3.320155 4.328198 6.190984 4.881573 0.000000 16 I 2.979521 4.499919 4.493749 4.465751 5.853051 17 H 1.067780 5.452409 6.307766 5.432633 4.203456 18 H 4.301481 3.056109 1.757189 1.770125 5.723227 19 H 4.703524 2.252323 3.399995 4.083150 5.581765 16 17 18 19 16 I 0.000000 17 H 3.030315 0.000000 18 H 3.115596 4.913058 0.000000 19 H 3.762975 5.434086 3.671254 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.116500 2.127352 -0.094120 2 6 0 0.374317 2.509647 1.303668 3 8 0 0.947289 2.118688 -1.017468 4 8 0 -3.099214 -2.603629 0.110140 5 6 0 -2.369556 -1.608168 0.063865 6 7 0 -2.917314 -0.329066 -0.058772 7 6 0 -2.220122 0.858882 -0.117107 8 8 0 -2.827373 1.943367 -0.197846 9 7 0 -0.830389 0.782074 -0.102592 10 6 0 -0.197927 -0.465254 0.007649 11 6 0 -0.902087 -1.627548 0.083055 12 1 0 -0.883456 2.823616 -0.395461 13 1 0 0.823534 3.496469 1.259469 14 1 0 -0.478774 2.527766 1.980614 15 1 0 -3.917189 -0.248545 -0.092825 16 53 0 1.919640 -0.674663 -0.003067 17 1 0 -0.429614 -2.583401 0.140221 18 1 0 1.115302 1.816917 1.685723 19 1 0 0.688854 2.316371 -1.926312 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8395688 0.4612797 0.3165832 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.7252658132 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2613. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.57D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999977 -0.000689 0.001019 -0.006625 Ang= -0.77 deg. B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.997736 -0.011643 0.000149 0.066241 Ang= -7.71 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) = -114.398477345 A.U. after 15 cycles NFock= 15 Conv=0.57D-08 -V/T= 2.3637 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2613. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.000008556 0.012863125 -0.003125802 2 6 -0.003648169 0.000206224 0.000292181 3 8 0.005482923 -0.009414496 -0.009235543 4 8 -0.000408997 0.000763477 0.001473999 5 6 0.000105823 -0.000569340 -0.004943494 6 7 0.000602258 0.002751284 0.000972582 7 6 0.005129889 0.005172728 -0.006329773 8 8 -0.003345487 -0.000676156 0.001264621 9 7 0.007433850 -0.005501080 0.007788504 10 6 -0.004136167 -0.003071091 -0.001361526 11 6 -0.000374485 0.000351992 0.001288522 12 1 -0.000915132 -0.001734933 -0.000361716 13 1 0.001597951 0.000156594 0.000143442 14 1 0.001108916 -0.001289194 0.000997043 15 1 -0.000580331 -0.000965365 0.000834060 16 53 -0.001936951 0.000102265 0.001109246 17 1 -0.001537284 -0.000608059 0.000785600 18 1 -0.000712715 -0.000707565 0.000012746 19 1 -0.003857337 0.002169593 0.008395309 ------------------------------------------------------------------- Cartesian Forces: Max 0.012863125 RMS 0.003802051 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.009444864 RMS 0.002087541 Search for a local minimum. Step number 17 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 15 17 DE= -1.55D-03 DEPred=-6.61D-03 R= 2.34D-01 Trust test= 2.34D-01 RLast= 8.41D-01 DXMaxT set to 2.44D+00 ITU= 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00120 0.00245 0.01140 0.01579 0.01782 Eigenvalues --- 0.01933 0.02012 0.02240 0.02545 0.02736 Eigenvalues --- 0.04164 0.05391 0.05658 0.05890 0.06042 Eigenvalues --- 0.06555 0.08712 0.14054 0.15376 0.15902 Eigenvalues --- 0.16007 0.16026 0.16266 0.16572 0.20942 Eigenvalues --- 0.22060 0.23481 0.23619 0.24855 0.25026 Eigenvalues --- 0.26341 0.28758 0.31257 0.34861 0.34937 Eigenvalues --- 0.35136 0.35566 0.37428 0.42095 0.42662 Eigenvalues --- 0.42826 0.43546 0.45274 0.47011 0.48423 Eigenvalues --- 0.52872 0.56424 0.82990 0.88840 0.98359 Eigenvalues --- 1.36552 RFO step: Lambda=-1.01981604D-03 EMin= 1.20077706D-03 Quartic linear search produced a step of 0.04683. Iteration 1 RMS(Cart)= 0.02767661 RMS(Int)= 0.00075062 Iteration 2 RMS(Cart)= 0.00075377 RMS(Int)= 0.00024119 Iteration 3 RMS(Cart)= 0.00000066 RMS(Int)= 0.00024119 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89126 0.00116 -0.00015 0.00110 0.00095 2.89221 R2 2.66196 0.00717 -0.00115 0.00610 0.00495 2.66691 R3 2.87802 -0.00280 0.00036 -0.01594 -0.01558 2.86244 R4 2.03864 -0.00140 0.00019 0.00048 0.00067 2.03930 R5 2.05065 0.00134 0.00007 0.00618 0.00625 2.05690 R6 2.05828 -0.00097 0.00006 -0.00217 -0.00210 2.05618 R7 2.04833 0.00086 -0.00007 0.00015 0.00008 2.04840 R8 1.82421 -0.00944 0.00087 -0.00076 0.00011 1.82432 R9 2.33401 0.00026 -0.00001 -0.00053 -0.00054 2.33347 R10 2.63966 0.00080 -0.00004 -0.00158 -0.00164 2.63802 R11 2.77359 0.00184 0.00005 0.00365 0.00360 2.77719 R12 2.60529 0.00093 0.00009 0.00270 0.00286 2.60815 R13 1.89670 -0.00132 0.00005 -0.00020 -0.00015 1.89655 R14 2.35374 -0.00348 -0.00006 -0.00633 -0.00639 2.34735 R15 2.63037 0.00694 -0.00014 0.01065 0.01061 2.64098 R16 2.65100 0.00778 0.00018 0.01257 0.01278 2.66378 R17 2.57201 0.00159 -0.00008 -0.00125 -0.00140 2.57061 R18 4.02119 0.00073 0.00029 0.00716 0.00745 4.02864 R19 2.01781 0.00171 -0.00004 0.00189 0.00184 2.01965 A1 1.93705 -0.00245 -0.00075 -0.00609 -0.00682 1.93023 A2 1.95645 -0.00036 0.00027 0.00958 0.00962 1.96607 A3 1.89863 0.00216 0.00003 0.02079 0.02066 1.91929 A4 1.92294 0.00203 0.00067 -0.02496 -0.02429 1.89865 A5 1.93666 -0.00075 0.00014 -0.00768 -0.00748 1.92919 A6 1.80832 -0.00048 -0.00032 0.00988 0.00923 1.81755 A7 1.89950 -0.00057 -0.00036 -0.00178 -0.00214 1.89736 A8 1.89727 0.00217 0.00016 0.00762 0.00777 1.90504 A9 1.96235 -0.00080 0.00002 -0.00204 -0.00203 1.96032 A10 1.91178 -0.00118 0.00014 -0.01473 -0.01458 1.89720 A11 1.88867 0.00052 0.00008 0.00188 0.00197 1.89063 A12 1.90391 -0.00020 -0.00004 0.00840 0.00834 1.91225 A13 1.99730 -0.00114 -0.00062 -0.02000 -0.02062 1.97668 A14 2.10559 -0.00019 0.00001 0.00174 0.00167 2.10726 A15 2.18895 -0.00060 0.00001 -0.00196 -0.00204 2.18691 A16 1.98811 0.00085 -0.00002 0.00103 0.00086 1.98898 A17 2.20737 0.00063 0.00006 0.00139 0.00159 2.20896 A18 2.05679 -0.00061 0.00003 -0.00011 -0.00015 2.05664 A19 2.01886 -0.00002 -0.00010 -0.00117 -0.00135 2.01751 A20 2.10185 -0.00050 0.00011 0.00445 0.00321 2.10506 A21 2.04532 0.00053 -0.00008 0.00055 -0.00043 2.04489 A22 2.13588 -0.00001 -0.00001 -0.00365 -0.00497 2.13091 A23 2.00349 -0.00194 -0.00062 -0.01126 -0.01214 1.99135 A24 2.18172 0.00429 0.00041 0.01582 0.01601 2.19773 A25 2.09441 -0.00232 0.00008 -0.00218 -0.00201 2.09240 A26 2.12987 -0.00061 -0.00004 -0.00280 -0.00286 2.12701 A27 2.13619 0.00389 0.00014 0.01141 0.01147 2.14767 A28 2.01649 -0.00323 -0.00013 -0.00791 -0.00812 2.00837 A29 2.10050 0.00095 0.00000 0.00367 0.00354 2.10404 A30 2.04308 -0.00015 0.00001 -0.00050 -0.00048 2.04260 A31 2.13945 -0.00080 -0.00002 -0.00289 -0.00290 2.13654 D1 1.03739 -0.00043 0.00034 -0.03405 -0.03371 1.00368 D2 3.11858 -0.00093 0.00039 -0.04841 -0.04803 3.07055 D3 -1.05480 -0.00020 0.00046 -0.03394 -0.03346 -1.08826 D4 -3.08735 0.00013 0.00085 -0.06411 -0.06334 3.13250 D5 -1.00615 -0.00037 0.00090 -0.07846 -0.07766 -1.08381 D6 1.10366 0.00036 0.00098 -0.06399 -0.06309 1.04056 D7 -1.09813 0.00064 0.00063 -0.03444 -0.03373 -1.13186 D8 0.98306 0.00014 0.00068 -0.04880 -0.04805 0.93501 D9 3.09287 0.00087 0.00076 -0.03433 -0.03348 3.05939 D10 -2.64337 -0.00082 -0.02203 0.08531 0.06339 -2.57998 D11 1.46231 -0.00007 -0.02233 0.09533 0.07294 1.53525 D12 -0.53009 -0.00025 -0.02241 0.10233 0.07986 -0.45023 D13 1.76011 0.00244 -0.00030 0.04265 0.04242 1.80253 D14 -1.29040 0.00220 0.00188 0.01257 0.01446 -1.27594 D15 -2.35673 0.00050 -0.00059 0.02319 0.02265 -2.33408 D16 0.87595 0.00026 0.00160 -0.00689 -0.00531 0.87064 D17 -0.28400 0.00033 -0.00028 0.00776 0.00746 -0.27654 D18 2.94867 0.00009 0.00190 -0.02232 -0.02050 2.92817 D19 3.13776 -0.00081 -0.00041 0.00673 0.00630 -3.13913 D20 0.01653 -0.00083 0.00006 -0.00022 -0.00012 0.01641 D21 -0.03705 0.00095 -0.00076 0.03192 0.03119 -0.00586 D22 3.12491 0.00093 -0.00029 0.02498 0.02478 -3.13350 D23 3.12497 0.00100 0.00023 0.02031 0.02052 -3.13769 D24 0.00184 0.00065 0.00051 0.00367 0.00421 0.00605 D25 0.01845 -0.00087 0.00060 -0.00638 -0.00578 0.01266 D26 -3.10469 -0.00122 0.00088 -0.02302 -0.02209 -3.12679 D27 -3.11393 0.00021 0.00086 0.03727 0.03838 -3.07556 D28 0.04456 -0.00073 0.00016 -0.05033 -0.05016 -0.00561 D29 0.00768 0.00022 0.00040 0.04409 0.04468 0.05235 D30 -3.11702 -0.00072 -0.00030 -0.04350 -0.04386 3.12230 D31 -3.08733 -0.00020 0.00267 0.01257 0.01543 -3.07189 D32 -0.03187 0.00040 0.00062 0.04207 0.04262 0.01074 D33 0.07151 -0.00115 0.00196 -0.07695 -0.07460 -0.00308 D34 3.12697 -0.00055 -0.00009 -0.04745 -0.04741 3.07955 D35 3.06330 -0.00010 -0.00306 0.01063 0.00778 3.07108 D36 -0.11808 0.00141 -0.00392 0.03251 0.02883 -0.08925 D37 0.01720 -0.00040 -0.00075 -0.02054 -0.02125 -0.00405 D38 3.11901 0.00112 -0.00161 0.00134 -0.00020 3.11881 D39 -0.01047 0.00063 0.00011 0.00213 0.00225 -0.00822 D40 3.11161 0.00100 -0.00018 0.01974 0.01949 3.13111 D41 -3.11483 -0.00094 0.00091 -0.01876 -0.01765 -3.13248 D42 0.00726 -0.00056 0.00061 -0.00115 -0.00040 0.00685 Item Value Threshold Converged? Maximum Force 0.009445 0.000450 NO RMS Force 0.002088 0.000300 NO Maximum Displacement 0.131654 0.001800 NO RMS Displacement 0.027601 0.001200 NO Predicted change in Energy=-5.394180D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.076702 -4.991486 2.180657 2 6 0 7.224092 -4.903766 3.701508 3 8 0 7.050988 -6.338766 1.761304 4 8 0 2.719982 -1.981238 0.386102 5 6 0 3.625699 -2.716925 0.790114 6 7 0 4.962288 -2.329384 0.680122 7 6 0 6.064499 -3.053696 1.086794 8 8 0 7.205849 -2.571424 0.999004 9 7 0 5.827957 -4.299269 1.674783 10 6 0 4.506605 -4.768997 1.817577 11 6 0 3.436273 -4.039989 1.401194 12 1 0 7.884824 -4.461071 1.700896 13 1 0 8.132365 -5.426871 3.995038 14 1 0 7.313932 -3.858965 3.991754 15 1 0 5.158216 -1.431438 0.276964 16 53 0 4.032650 -6.668405 2.661654 17 1 0 2.431542 -4.391624 1.496607 18 1 0 6.387497 -5.354667 4.222838 19 1 0 7.442042 -6.474017 0.889090 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.530492 0.000000 3 O 1.411269 2.419417 0.000000 4 O 5.591336 6.310316 6.295779 0.000000 5 C 4.360810 5.119269 5.078734 1.234822 0.000000 6 N 3.716065 4.568585 4.648307 2.288141 1.395978 7 C 2.444611 3.406485 3.495684 3.581470 2.479754 8 O 2.696235 3.569829 3.846810 4.565849 3.589189 9 N 1.514740 2.534211 2.379671 4.085765 2.852436 10 C 2.605136 3.309395 2.990189 3.607317 2.458185 11 C 3.842608 4.514989 4.298862 2.404567 1.469626 12 H 1.079153 2.152903 2.055400 5.878252 4.691664 13 H 2.143820 1.088467 2.643955 7.361433 6.158359 14 H 2.149175 1.088082 3.345662 6.134408 5.015757 15 H 4.469740 5.296452 5.465136 2.501835 2.065044 16 I 3.508514 3.792169 3.166963 5.373152 4.391181 17 H 4.733421 5.300227 5.020031 2.669528 2.174802 18 H 2.185728 1.083969 2.732731 6.288976 5.135056 19 H 1.999879 3.228449 0.965388 6.537271 5.356305 6 7 8 9 10 6 N 0.000000 7 C 1.380174 0.000000 8 O 2.278999 1.242165 0.000000 9 N 2.370481 1.397547 2.310999 0.000000 10 C 2.730047 2.429678 3.575655 1.409611 0.000000 11 C 2.403089 2.824747 4.065482 2.421204 1.360307 12 H 3.758628 2.381472 2.127070 2.063386 3.394230 13 H 5.534662 4.285547 4.241254 3.459100 4.280219 14 H 4.340133 3.263178 3.259754 2.787534 3.665555 15 H 1.003609 2.027040 2.452286 3.259893 3.733280 16 I 4.859815 4.435619 5.442320 3.132067 2.131866 17 H 3.365139 3.893119 5.133688 3.402339 2.133382 18 H 4.871795 3.903020 4.336963 2.814166 3.109026 19 H 4.834339 3.692602 3.911278 2.819949 3.519371 11 12 13 14 15 11 C 0.000000 12 H 4.478475 0.000000 13 H 5.541187 2.501427 0.000000 14 H 4.666906 2.436489 1.768664 0.000000 15 H 3.321675 4.317481 6.215555 4.933524 0.000000 16 I 2.975398 4.542535 4.486311 4.519837 5.863401 17 H 1.068754 5.457549 6.309777 5.508831 4.205352 18 H 4.289495 3.066055 1.761157 1.774487 5.698488 19 H 4.715181 2.215183 3.349623 4.059733 5.569395 16 17 18 19 16 I 0.000000 17 H 3.017385 0.000000 18 H 3.115847 4.899935 0.000000 19 H 3.847560 5.459904 3.671360 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.177212 2.140759 -0.098125 2 6 0 0.345231 2.537041 1.284777 3 8 0 0.871576 2.136206 -1.042425 4 8 0 -3.050102 -2.651397 0.113489 5 6 0 -2.340984 -1.642443 0.050647 6 7 0 -2.913382 -0.373255 -0.050732 7 6 0 -2.239544 0.828573 -0.130925 8 8 0 -2.862493 1.903106 -0.147811 9 7 0 -0.843128 0.780252 -0.102205 10 6 0 -0.185136 -0.462811 -0.008164 11 6 0 -0.871414 -1.635257 0.061326 12 1 0 -0.959496 2.818053 -0.404516 13 1 0 0.816908 3.515347 1.212676 14 1 0 -0.491654 2.603383 1.976979 15 1 0 -3.914978 -0.309937 -0.056020 16 53 0 1.937864 -0.656735 0.002643 17 1 0 -0.381467 -2.583063 0.123374 18 1 0 1.076471 1.833372 1.665734 19 1 0 0.585505 2.382324 -1.930998 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8336775 0.4599753 0.3150419 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.5496131086 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.61D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999968 0.000549 -0.001341 -0.007864 Ang= 0.92 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.398292494 A.U. after 15 cycles NFock= 15 Conv=0.45D-08 -V/T= 2.3640 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.003787384 0.005329059 -0.001797243 2 6 0.001002385 0.000258735 -0.000031258 3 8 0.008812749 -0.010636594 -0.010137517 4 8 -0.000351648 0.000619932 0.000370612 5 6 -0.000337446 -0.001190471 -0.001631669 6 7 0.002551296 0.000661733 -0.003620589 7 6 -0.002851864 0.007041885 0.010010389 8 8 0.000480268 -0.000535393 -0.005284944 9 7 0.003713098 0.000545978 0.000763883 10 6 0.000729133 -0.002105107 0.000079491 11 6 -0.001115664 0.001288310 -0.000038475 12 1 -0.001196303 -0.000827684 0.002180271 13 1 -0.000584712 0.000264042 -0.000639028 14 1 -0.000755233 -0.000149818 0.000764627 15 1 -0.000670338 -0.000964187 0.000457246 16 53 0.000994300 0.001131598 0.000244125 17 1 -0.000857333 -0.000320362 -0.000009204 18 1 -0.000469859 -0.000228886 0.000063313 19 1 -0.005305445 -0.000182767 0.008255970 ------------------------------------------------------------------- Cartesian Forces: Max 0.010636594 RMS 0.003465807 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.010823980 RMS 0.002144739 Search for a local minimum. Step number 18 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 18 17 DE= 1.85D-04 DEPred=-5.39D-04 R=-3.43D-01 Trust test=-3.43D-01 RLast= 2.60D-01 DXMaxT set to 1.22D+00 ITU= -1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00180 0.00240 0.01084 0.01573 0.01776 Eigenvalues --- 0.01934 0.02014 0.02233 0.02538 0.04168 Eigenvalues --- 0.05324 0.05553 0.05647 0.06006 0.06160 Eigenvalues --- 0.06881 0.08785 0.14154 0.15395 0.16003 Eigenvalues --- 0.16024 0.16116 0.16331 0.16675 0.20656 Eigenvalues --- 0.22746 0.23482 0.23647 0.24834 0.25055 Eigenvalues --- 0.26571 0.28731 0.31191 0.34733 0.34947 Eigenvalues --- 0.35132 0.35553 0.37396 0.41703 0.42559 Eigenvalues --- 0.42717 0.43673 0.45629 0.46752 0.48535 Eigenvalues --- 0.52416 0.56386 0.77600 0.89043 0.95503 Eigenvalues --- 1.17856 RFO step: Lambda=-9.03490879D-04 EMin= 1.79788186D-03 Quartic linear search produced a step of -0.57741. Iteration 1 RMS(Cart)= 0.04386379 RMS(Int)= 0.00598719 Iteration 2 RMS(Cart)= 0.00527494 RMS(Int)= 0.00012688 Iteration 3 RMS(Cart)= 0.00009899 RMS(Int)= 0.00007624 Iteration 4 RMS(Cart)= 0.00000002 RMS(Int)= 0.00007624 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89221 0.00009 -0.00055 -0.00446 -0.00501 2.88720 R2 2.66691 0.01082 -0.00286 0.00813 0.00528 2.67219 R3 2.86244 0.00049 0.00900 0.00221 0.01121 2.87365 R4 2.03930 -0.00227 -0.00038 -0.00517 -0.00556 2.03375 R5 2.05690 -0.00079 -0.00361 -0.00224 -0.00585 2.05105 R6 2.05618 -0.00000 0.00122 -0.00172 -0.00050 2.05568 R7 2.04840 0.00049 -0.00004 0.00065 0.00061 2.04901 R8 1.82432 -0.00958 -0.00006 -0.01858 -0.01864 1.80567 R9 2.33347 0.00051 0.00031 -0.00091 -0.00060 2.33288 R10 2.63802 0.00108 0.00095 -0.00021 0.00072 2.63874 R11 2.77719 0.00034 -0.00208 0.00179 -0.00027 2.77692 R12 2.60815 -0.00006 -0.00165 -0.00007 -0.00175 2.60640 R13 1.89655 -0.00118 0.00009 -0.00089 -0.00080 1.89575 R14 2.34735 0.00061 0.00369 -0.00240 0.00129 2.34864 R15 2.64098 0.00434 -0.00613 0.00729 0.00115 2.64213 R16 2.66378 -0.00011 -0.00738 0.00189 -0.00548 2.65830 R17 2.57061 0.00205 0.00081 0.00014 0.00097 2.57158 R18 4.02864 -0.00113 -0.00430 -0.00100 -0.00530 4.02334 R19 2.01965 0.00091 -0.00106 0.00169 0.00062 2.02028 A1 1.93023 -0.00250 0.00394 -0.01844 -0.01448 1.91575 A2 1.96607 -0.00263 -0.00555 0.00067 -0.00471 1.96136 A3 1.91929 0.00089 -0.01193 0.01098 -0.00086 1.91843 A4 1.89865 0.00489 0.01403 0.00319 0.01718 1.91583 A5 1.92919 -0.00020 0.00432 0.00518 0.00942 1.93861 A6 1.81755 -0.00026 -0.00533 -0.00018 -0.00539 1.81216 A7 1.89736 -0.00068 0.00123 -0.00323 -0.00200 1.89536 A8 1.90504 0.00124 -0.00449 0.00083 -0.00365 1.90139 A9 1.96032 -0.00049 0.00117 -0.00078 0.00040 1.96072 A10 1.89720 0.00010 0.00842 -0.00293 0.00548 1.90268 A11 1.89063 0.00037 -0.00114 0.00066 -0.00048 1.89016 A12 1.91225 -0.00053 -0.00481 0.00528 0.00048 1.91273 A13 1.97668 0.00318 0.01191 0.00670 0.01861 1.99529 A14 2.10726 -0.00022 -0.00097 0.00121 0.00029 2.10755 A15 2.18691 -0.00005 0.00118 -0.00189 -0.00067 2.18624 A16 1.98898 0.00027 -0.00050 0.00076 0.00032 1.98930 A17 2.20896 0.00009 -0.00092 -0.00075 -0.00170 2.20726 A18 2.05664 -0.00046 0.00009 -0.00052 -0.00042 2.05622 A19 2.01751 0.00037 0.00078 0.00128 0.00207 2.01958 A20 2.10506 -0.00191 -0.00186 -0.00200 -0.00348 2.10158 A21 2.04489 0.00039 0.00025 0.00203 0.00260 2.04749 A22 2.13091 0.00180 0.00287 -0.00033 0.00291 2.13382 A23 1.99135 0.00544 0.00701 0.00141 0.00840 1.99975 A24 2.19773 -0.00402 -0.00924 0.00220 -0.00707 2.19066 A25 2.09240 -0.00141 0.00116 -0.00405 -0.00290 2.08950 A26 2.12701 0.00094 0.00165 0.00190 0.00355 2.13056 A27 2.14767 -0.00207 -0.00662 -0.00250 -0.00920 2.13847 A28 2.00837 0.00113 0.00469 0.00042 0.00504 2.01342 A29 2.10404 -0.00024 -0.00204 0.00004 -0.00195 2.10208 A30 2.04260 0.00010 0.00028 -0.00041 -0.00015 2.04245 A31 2.13654 0.00014 0.00168 0.00036 0.00202 2.13856 D1 1.00368 -0.00141 0.01946 0.00947 0.02892 1.03260 D2 3.07055 -0.00097 0.02773 0.00454 0.03227 3.10282 D3 -1.08826 -0.00110 0.01932 0.01129 0.03060 -1.05766 D4 3.13250 0.00125 0.03657 0.00067 0.03731 -3.11338 D5 -1.08381 0.00169 0.04484 -0.00425 0.04066 -1.04315 D6 1.04056 0.00155 0.03643 0.00249 0.03898 1.07955 D7 -1.13186 -0.00009 0.01948 0.00785 0.02727 -1.10459 D8 0.93501 0.00035 0.02774 0.00293 0.03062 0.96563 D9 3.05939 0.00022 0.01933 0.00968 0.02895 3.08834 D10 -2.57998 -0.00099 -0.03660 -0.19320 -0.22988 -2.80985 D11 1.53525 0.00063 -0.04212 -0.18394 -0.22592 1.30933 D12 -0.45023 -0.00168 -0.04611 -0.18829 -0.23445 -0.68468 D13 1.80253 0.00091 -0.02449 0.06132 0.03681 1.83934 D14 -1.27594 0.00077 -0.00835 0.06965 0.06133 -1.21461 D15 -2.33408 -0.00055 -0.01308 0.04052 0.02740 -2.30668 D16 0.87064 -0.00069 0.00307 0.04884 0.05192 0.92256 D17 -0.27654 0.00136 -0.00431 0.04789 0.04356 -0.23298 D18 2.92817 0.00122 0.01183 0.05621 0.06808 2.99626 D19 -3.13913 -0.00079 -0.00364 -0.00601 -0.00962 3.13443 D20 0.01641 -0.00068 0.00007 -0.00615 -0.00607 0.01034 D21 -0.00586 -0.00043 -0.01801 0.00270 -0.01532 -0.02118 D22 -3.13350 -0.00032 -0.01431 0.00256 -0.01177 3.13792 D23 -3.13769 -0.00039 -0.01185 0.01028 -0.00155 -3.13924 D24 0.00605 0.00017 -0.00243 0.01266 0.01024 0.01629 D25 0.01266 -0.00077 0.00334 0.00109 0.00444 0.01710 D26 -3.12679 -0.00020 0.01276 0.00348 0.01623 -3.11055 D27 -3.07556 -0.00262 -0.02216 -0.00345 -0.02564 -3.10120 D28 -0.00561 0.00173 0.02896 -0.00813 0.02085 0.01524 D29 0.05235 -0.00273 -0.02580 -0.00332 -0.02914 0.02321 D30 3.12230 0.00163 0.02533 -0.00800 0.01734 3.13965 D31 -3.07189 -0.00187 -0.00891 0.01719 0.00826 -3.06364 D32 0.01074 -0.00186 -0.02461 0.00965 -0.01492 -0.00418 D33 -0.00308 0.00239 0.04307 0.01237 0.05538 0.05230 D34 3.07955 0.00240 0.02738 0.00483 0.03221 3.11176 D35 3.07108 0.00115 -0.00449 -0.01506 -0.01958 3.05150 D36 -0.08925 0.00137 -0.01665 -0.02745 -0.04407 -0.13333 D37 -0.00405 0.00078 0.01227 -0.00649 0.00574 0.00169 D38 3.11881 0.00101 0.00011 -0.01888 -0.01875 3.10005 D39 -0.00822 0.00059 -0.00130 0.00091 -0.00040 -0.00862 D40 3.13111 -0.00000 -0.01125 -0.00160 -0.01286 3.11824 D41 -3.13248 0.00042 0.01019 0.01240 0.02260 -3.10988 D42 0.00685 -0.00018 0.00023 0.00989 0.01013 0.01699 Item Value Threshold Converged? Maximum Force 0.010824 0.000450 NO RMS Force 0.002145 0.000300 NO Maximum Displacement 0.198191 0.001800 NO RMS Displacement 0.045874 0.001200 NO Predicted change in Energy=-7.212064D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.095370 -4.982604 2.190618 2 6 0 7.199429 -4.922329 3.713717 3 8 0 7.112816 -6.330377 1.763101 4 8 0 2.721627 -1.983728 0.399024 5 6 0 3.632177 -2.715288 0.798679 6 7 0 4.968099 -2.333562 0.659317 7 6 0 6.072668 -3.051179 1.068314 8 8 0 7.215139 -2.583073 0.925832 9 7 0 5.844616 -4.293409 1.668062 10 6 0 4.526601 -4.755922 1.834684 11 6 0 3.449487 -4.031079 1.426928 12 1 0 7.901235 -4.425040 1.745718 13 1 0 8.123422 -5.404372 4.016860 14 1 0 7.224597 -3.880295 4.024969 15 1 0 5.159178 -1.445376 0.233882 16 53 0 4.079550 -6.663423 2.668046 17 1 0 2.445907 -4.384555 1.530956 18 1 0 6.374917 -5.428258 4.203512 19 1 0 7.337164 -6.448130 0.841784 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.527839 0.000000 3 O 1.414060 2.407282 0.000000 4 O 5.597561 6.298672 6.327448 0.000000 5 C 4.367142 5.108205 5.110169 1.234506 0.000000 6 N 3.726606 4.583656 4.668263 2.288399 1.396362 7 C 2.456805 3.430590 3.509669 3.580066 2.478210 8 O 2.715101 3.639321 3.841064 4.563813 3.587655 9 N 1.520672 2.532936 2.401376 4.086336 2.853275 10 C 2.603200 3.271462 3.028621 3.606121 2.457130 11 C 3.844618 4.481717 4.338175 2.403749 1.469482 12 H 1.076212 2.147754 2.062090 5.882339 4.695209 13 H 2.137742 1.085369 2.637848 7.346355 6.144847 14 H 2.143975 1.087817 3.336382 6.084503 4.967059 15 H 4.482147 5.325512 5.478910 2.501749 2.064802 16 I 3.485435 3.722698 3.182852 5.375124 4.391178 17 H 4.733955 5.258291 5.061636 2.668570 2.174838 18 H 2.183896 1.084290 2.704426 6.299638 5.145456 19 H 2.006385 3.255002 0.955522 6.436622 5.259553 6 7 8 9 10 6 N 0.000000 7 C 1.379248 0.000000 8 O 2.276505 1.242845 0.000000 9 N 2.372098 1.398156 2.313977 0.000000 10 C 2.728413 2.425654 3.574287 1.406714 0.000000 11 C 2.403533 2.823099 4.065458 2.421488 1.360822 12 H 3.762689 2.385377 2.129737 2.062290 3.391983 13 H 5.537060 4.293837 4.282424 3.456017 4.256701 14 H 4.337255 3.279662 3.359690 2.762249 3.583749 15 H 1.003185 2.027152 2.449516 3.261593 3.731279 16 I 4.855121 4.424926 5.432907 3.119678 2.129062 17 H 3.365677 3.891700 5.133916 3.402694 2.135287 18 H 4.910967 3.946052 4.420886 2.828004 3.078905 19 H 4.751361 3.631741 3.867896 2.748319 3.427635 11 12 13 14 15 11 C 0.000000 12 H 4.480501 0.000000 13 H 5.517187 2.483253 0.000000 14 H 4.585194 2.439174 1.769397 0.000000 15 H 3.321484 4.322374 6.226662 4.956524 0.000000 16 I 2.977682 4.523972 4.444931 4.413430 5.858222 17 H 1.069085 5.459704 6.281236 5.413895 4.205118 18 H 4.268450 3.062163 1.758601 1.774831 5.753202 19 H 4.615036 2.286518 3.433474 4.091346 5.490056 16 17 18 19 16 I 0.000000 17 H 3.025723 0.000000 18 H 3.025227 4.865079 0.000000 19 H 3.740806 5.353288 3.642427 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.131989 2.140184 -0.067383 2 6 0 0.437403 2.472449 1.310907 3 8 0 0.903275 2.161899 -1.030359 4 8 0 -3.094618 -2.605319 0.121634 5 6 0 -2.369996 -1.607746 0.060193 6 7 0 -2.921929 -0.330384 -0.056180 7 6 0 -2.227699 0.859374 -0.125813 8 8 0 -2.837189 1.940867 -0.185465 9 7 0 -0.831598 0.790279 -0.094690 10 6 0 -0.197435 -0.461061 0.009382 11 6 0 -0.900738 -1.623907 0.080037 12 1 0 -0.910653 2.838644 -0.320501 13 1 0 0.895216 3.455621 1.268436 14 1 0 -0.375386 2.490864 2.033667 15 1 0 -3.921857 -0.252809 -0.078660 16 53 0 1.920646 -0.676136 -0.010034 17 1 0 -0.426219 -2.580141 0.138256 18 1 0 1.190313 1.759770 1.628555 19 1 0 0.600017 2.248653 -1.932318 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8378014 0.4604801 0.3161799 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.5922093383 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2614. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.55D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999993 -0.002297 -0.002833 0.000021 Ang= -0.42 deg. B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999964 -0.002828 -0.001498 0.007901 Ang= -0.98 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) = -114.399086305 A.U. after 14 cycles NFock= 14 Conv=0.88D-08 -V/T= 2.3637 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2614. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.005603711 0.004614590 -0.002381651 2 6 -0.000624433 0.000683673 0.000578318 3 8 0.001519154 -0.005331977 0.000706287 4 8 -0.000480191 0.000782907 0.000216342 5 6 -0.000323232 -0.000768176 -0.001521628 6 7 0.000533046 0.000465039 -0.001086240 7 6 0.001923906 0.004667808 0.001906085 8 8 -0.000889401 -0.000558508 -0.001755791 9 7 0.005246687 -0.000578614 0.003342591 10 6 -0.001862735 -0.002565048 -0.001089579 11 6 -0.000621421 0.000553519 0.000384460 12 1 0.000535857 -0.001057216 -0.000277833 13 1 0.001193290 -0.000349720 0.000234193 14 1 -0.000111798 -0.000173156 0.001313242 15 1 -0.000282813 -0.000612958 0.000418122 16 53 -0.001079241 -0.000009639 0.000421351 17 1 -0.000578008 -0.000278483 0.000354810 18 1 0.000437889 0.000375312 -0.000060714 19 1 0.001067154 0.000140646 -0.001702366 ------------------------------------------------------------------- Cartesian Forces: Max 0.005603711 RMS 0.001837962 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005281030 RMS 0.001154649 Search for a local minimum. Step number 19 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 18 17 19 DE= -6.09D-04 DEPred=-7.21D-04 R= 8.44D-01 TightC=F SS= 1.41D+00 RLast= 3.29D-01 DXNew= 2.0491D+00 9.8602D-01 Trust test= 8.44D-01 RLast= 3.29D-01 DXMaxT set to 1.22D+00 ITU= 1 -1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00236 0.00365 0.01030 0.01574 0.01780 Eigenvalues --- 0.01934 0.02016 0.02238 0.02603 0.04130 Eigenvalues --- 0.05314 0.05352 0.05652 0.06020 0.06050 Eigenvalues --- 0.06921 0.08677 0.14176 0.15309 0.16002 Eigenvalues --- 0.16022 0.16054 0.16337 0.17042 0.20443 Eigenvalues --- 0.22099 0.23528 0.23650 0.24825 0.25060 Eigenvalues --- 0.26169 0.29132 0.31454 0.34266 0.34941 Eigenvalues --- 0.35161 0.35666 0.37070 0.38972 0.42474 Eigenvalues --- 0.42971 0.43657 0.46522 0.48297 0.50287 Eigenvalues --- 0.52322 0.56173 0.58918 0.88820 0.95257 Eigenvalues --- 1.16328 RFO step: Lambda=-3.78491649D-04 EMin= 2.35709549D-03 Quartic linear search produced a step of -0.09210. Iteration 1 RMS(Cart)= 0.01717560 RMS(Int)= 0.00032514 Iteration 2 RMS(Cart)= 0.00032624 RMS(Int)= 0.00001924 Iteration 3 RMS(Cart)= 0.00000024 RMS(Int)= 0.00001924 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88720 0.00214 0.00037 0.00362 0.00399 2.89119 R2 2.67219 0.00528 -0.00094 0.01488 0.01394 2.68613 R3 2.87365 -0.00135 0.00040 -0.00642 -0.00602 2.86763 R4 2.03375 -0.00003 0.00045 -0.00215 -0.00170 2.03204 R5 2.05105 0.00124 -0.00004 0.00082 0.00078 2.05183 R6 2.05568 0.00021 0.00024 0.00051 0.00075 2.05643 R7 2.04901 -0.00054 -0.00006 -0.00127 -0.00134 2.04767 R8 1.80567 0.00187 0.00171 -0.00192 -0.00021 1.80547 R9 2.33288 0.00075 0.00010 0.00015 0.00026 2.33314 R10 2.63874 0.00079 0.00008 0.00086 0.00094 2.63968 R11 2.77692 0.00054 -0.00031 0.00048 0.00016 2.77708 R12 2.60640 0.00062 -0.00010 0.00018 0.00008 2.60648 R13 1.89575 -0.00077 0.00009 -0.00129 -0.00120 1.89455 R14 2.34864 -0.00083 0.00047 -0.00126 -0.00079 2.34785 R15 2.64213 0.00385 -0.00108 0.00735 0.00628 2.64842 R16 2.65830 0.00446 -0.00067 0.00304 0.00237 2.66068 R17 2.57158 0.00122 0.00004 0.00118 0.00122 2.57280 R18 4.02334 0.00040 -0.00020 -0.00016 -0.00036 4.02298 R19 2.02028 0.00067 -0.00023 0.00107 0.00085 2.02112 A1 1.91575 -0.00114 0.00196 0.00058 0.00253 1.91828 A2 1.96136 -0.00018 -0.00045 0.00296 0.00252 1.96388 A3 1.91843 0.00029 -0.00182 0.00149 -0.00033 1.91810 A4 1.91583 0.00236 0.00065 0.00198 0.00263 1.91846 A5 1.93861 -0.00098 -0.00018 -0.00749 -0.00768 1.93093 A6 1.81216 -0.00030 -0.00035 0.00027 -0.00007 1.81209 A7 1.89536 -0.00045 0.00038 -0.00191 -0.00153 1.89383 A8 1.90139 0.00188 -0.00038 0.00802 0.00764 1.90903 A9 1.96072 -0.00002 0.00015 -0.00024 -0.00010 1.96063 A10 1.90268 -0.00061 0.00084 -0.00339 -0.00255 1.90013 A11 1.89016 0.00007 -0.00014 -0.00154 -0.00168 1.88848 A12 1.91273 -0.00091 -0.00081 -0.00117 -0.00199 1.91074 A13 1.99529 -0.00075 0.00019 -0.00073 -0.00054 1.99475 A14 2.10755 -0.00030 -0.00018 -0.00003 -0.00020 2.10735 A15 2.18624 0.00002 0.00025 -0.00012 0.00014 2.18638 A16 1.98930 0.00029 -0.00011 0.00024 0.00012 1.98942 A17 2.20726 0.00081 0.00001 0.00175 0.00177 2.20903 A18 2.05622 -0.00053 0.00005 -0.00151 -0.00146 2.05476 A19 2.01958 -0.00028 -0.00007 -0.00022 -0.00030 2.01928 A20 2.10158 -0.00065 0.00002 -0.00265 -0.00265 2.09893 A21 2.04749 -0.00014 -0.00020 -0.00101 -0.00118 2.04631 A22 2.13382 0.00082 0.00019 0.00392 0.00408 2.13791 A23 1.99975 0.00015 0.00034 0.00580 0.00606 2.00581 A24 2.19066 0.00111 -0.00082 -0.00197 -0.00289 2.18777 A25 2.08950 -0.00124 0.00045 -0.00217 -0.00175 2.08776 A26 2.13056 -0.00018 -0.00006 0.00141 0.00134 2.13190 A27 2.13847 0.00212 -0.00021 -0.00008 -0.00032 2.13815 A28 2.01342 -0.00192 0.00028 -0.00087 -0.00062 2.01279 A29 2.10208 0.00045 -0.00015 -0.00013 -0.00028 2.10180 A30 2.04245 -0.00004 0.00006 0.00013 0.00019 2.04264 A31 2.13856 -0.00042 0.00008 -0.00000 0.00008 2.13864 D1 1.03260 -0.00131 0.00044 -0.00900 -0.00856 1.02404 D2 3.10282 -0.00123 0.00145 -0.00959 -0.00814 3.09468 D3 -1.05766 -0.00109 0.00026 -0.00566 -0.00539 -1.06305 D4 -3.11338 0.00077 0.00240 -0.00401 -0.00161 -3.11499 D5 -1.04315 0.00085 0.00341 -0.00460 -0.00119 -1.04435 D6 1.07955 0.00099 0.00222 -0.00067 0.00156 1.08111 D7 -1.10459 0.00047 0.00059 -0.00100 -0.00041 -1.10500 D8 0.96563 0.00055 0.00160 -0.00159 0.00001 0.96564 D9 3.08834 0.00070 0.00042 0.00235 0.00276 3.09110 D10 -2.80985 0.00088 0.01533 0.05047 0.06580 -2.74405 D11 1.30933 0.00029 0.01409 0.04501 0.05911 1.36844 D12 -0.68468 -0.00017 0.01424 0.04778 0.06202 -0.62266 D13 1.83934 0.00033 -0.00730 0.02357 0.01628 1.85563 D14 -1.21461 0.00001 -0.00698 0.00158 -0.00541 -1.22002 D15 -2.30668 0.00043 -0.00461 0.02777 0.02318 -2.28350 D16 0.92256 0.00011 -0.00429 0.00578 0.00148 0.92403 D17 -0.23298 0.00026 -0.00470 0.02013 0.01544 -0.21754 D18 2.99626 -0.00007 -0.00438 -0.00186 -0.00626 2.99000 D19 3.13443 -0.00051 0.00031 -0.00407 -0.00375 3.13068 D20 0.01034 -0.00044 0.00057 -0.00503 -0.00445 0.00589 D21 -0.02118 -0.00004 -0.00146 0.00234 0.00089 -0.02029 D22 3.13792 0.00003 -0.00120 0.00138 0.00019 3.13811 D23 -3.13924 0.00002 -0.00175 0.00002 -0.00172 -3.14096 D24 0.01629 0.00015 -0.00133 0.00041 -0.00092 0.01537 D25 0.01710 -0.00047 0.00012 -0.00673 -0.00660 0.01050 D26 -3.11055 -0.00033 0.00054 -0.00634 -0.00581 -3.11636 D27 -3.10120 -0.00094 -0.00117 -0.01369 -0.01486 -3.11605 D28 0.01524 0.00046 0.00270 -0.00183 0.00086 0.01610 D29 0.02321 -0.00101 -0.00143 -0.01276 -0.01418 0.00903 D30 3.13965 0.00039 0.00244 -0.00090 0.00154 3.14118 D31 -3.06364 -0.00082 -0.00218 -0.01522 -0.01745 -3.08109 D32 -0.00418 -0.00040 -0.00255 0.00537 0.00281 -0.00136 D33 0.05230 0.00058 0.00177 -0.00322 -0.00146 0.05084 D34 3.11176 0.00101 0.00140 0.01737 0.01880 3.13056 D35 3.05150 0.00033 0.00109 0.01321 0.01425 3.06575 D36 -0.13333 0.00084 0.00140 0.02656 0.02792 -0.10540 D37 0.00169 -0.00009 0.00143 -0.01018 -0.00874 -0.00705 D38 3.10005 0.00043 0.00175 0.00317 0.00493 3.10499 D39 -0.00862 0.00054 -0.00017 0.01089 0.01071 0.00208 D40 3.11824 0.00040 -0.00061 0.01048 0.00987 3.12811 D41 -3.10988 -0.00003 -0.00046 -0.00158 -0.00206 -3.11193 D42 0.01699 -0.00017 -0.00090 -0.00199 -0.00289 0.01409 Item Value Threshold Converged? Maximum Force 0.005281 0.000450 NO RMS Force 0.001155 0.000300 NO Maximum Displacement 0.088658 0.001800 NO RMS Displacement 0.017064 0.001200 NO Predicted change in Energy=-1.984933D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.089315 -4.980537 2.193096 2 6 0 7.199430 -4.935953 3.718429 3 8 0 7.108191 -6.329581 1.745651 4 8 0 2.717308 -1.988070 0.382795 5 6 0 3.628163 -2.716010 0.788737 6 7 0 4.964178 -2.332305 0.650731 7 6 0 6.070394 -3.041979 1.069174 8 8 0 7.210728 -2.575137 0.910029 9 7 0 5.843341 -4.282917 1.679640 10 6 0 4.524260 -4.748033 1.841112 11 6 0 3.445991 -4.026145 1.429041 12 1 0 7.896139 -4.423500 1.751463 13 1 0 8.122277 -5.427036 4.011882 14 1 0 7.232181 -3.899346 4.047952 15 1 0 5.153220 -1.448084 0.217689 16 53 0 4.076893 -6.645851 2.695653 17 1 0 2.442117 -4.378754 1.537681 18 1 0 6.375795 -5.444146 4.205783 19 1 0 7.384079 -6.438615 0.837461 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.529952 0.000000 3 O 1.421437 2.417101 0.000000 4 O 5.598794 6.317111 6.323444 0.000000 5 C 4.368053 5.124958 5.107267 1.234642 0.000000 6 N 3.729374 4.602837 4.666247 2.288823 1.396858 7 C 2.461586 3.446797 3.513256 3.581205 2.479798 8 O 2.728910 3.668881 3.847678 4.562175 3.587385 9 N 1.517486 2.534185 2.406873 4.089036 2.855857 10 C 2.599512 3.273556 3.031024 3.606821 2.457560 11 C 3.842975 4.489694 4.337945 2.404030 1.469567 12 H 1.075311 2.148712 2.062533 5.884289 4.696593 13 H 2.138773 1.085782 2.641735 7.362774 6.159171 14 H 2.151715 1.088216 3.349927 6.121310 5.001172 15 H 4.486527 5.348588 5.475911 2.500502 2.063863 16 I 3.478580 3.704060 3.192381 5.375193 4.391051 17 H 4.731613 5.262904 5.061741 2.669243 2.175393 18 H 2.185167 1.083582 2.715262 6.320144 5.164146 19 H 2.012616 3.254545 0.955412 6.464737 5.288390 6 7 8 9 10 6 N 0.000000 7 C 1.379292 0.000000 8 O 2.274464 1.242428 0.000000 9 N 2.374125 1.401481 2.319172 0.000000 10 C 2.728787 2.428382 3.578477 1.407970 0.000000 11 C 2.404111 2.825876 4.067928 2.424050 1.361465 12 H 3.765780 2.389029 2.143419 2.058859 3.388647 13 H 5.554123 4.307928 4.311117 3.455706 4.256643 14 H 4.374993 3.310279 3.405958 2.772167 3.594893 15 H 1.002551 2.026509 2.446002 3.263411 3.731053 16 I 4.855477 4.428021 5.438757 3.120268 2.128870 17 H 3.366812 3.894979 5.136791 3.405533 2.136294 18 H 4.930985 3.962574 4.448631 2.830787 3.082925 19 H 4.769966 3.649191 3.868045 2.780319 3.470440 11 12 13 14 15 11 C 0.000000 12 H 4.479471 0.000000 13 H 5.522790 2.483488 0.000000 14 H 4.605433 2.447333 1.768448 0.000000 15 H 3.320904 4.327721 6.248460 5.000168 0.000000 16 I 2.977449 4.518514 4.425279 4.396345 5.857949 17 H 1.069532 5.458393 6.283691 5.429181 4.204912 18 H 4.278407 3.062164 1.757296 1.773335 5.776512 19 H 4.656019 2.271188 3.412503 4.096122 5.501478 16 17 18 19 16 I 0.000000 17 H 3.025412 0.000000 18 H 3.001589 4.871103 0.000000 19 H 3.799119 5.399660 3.653929 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.120503 2.137017 -0.064663 2 6 0 0.477241 2.468092 1.304222 3 8 0 0.898500 2.157071 -1.055479 4 8 0 -3.103658 -2.597558 0.111645 5 6 0 -2.376036 -1.601719 0.054964 6 7 0 -2.924829 -0.321384 -0.048866 7 6 0 -2.229546 0.868372 -0.108086 8 8 0 -2.840722 1.948146 -0.172757 9 7 0 -0.830226 0.795816 -0.080017 10 6 0 -0.200159 -0.460277 0.007320 11 6 0 -0.906739 -1.622096 0.074462 12 1 0 -0.896734 2.841254 -0.305097 13 1 0 0.942902 3.447408 1.249261 14 1 0 -0.316993 2.497258 2.047562 15 1 0 -3.924044 -0.242473 -0.070158 16 53 0 1.917091 -0.681788 -0.009227 17 1 0 -0.434526 -2.580199 0.128807 18 1 0 1.230909 1.751541 1.608672 19 1 0 0.579534 2.301364 -1.944440 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8372095 0.4599924 0.3160152 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 377.2178730579 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.58D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999998 -0.000361 -0.001177 0.001824 Ang= -0.25 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.399319774 A.U. after 14 cycles NFock= 14 Conv=0.51D-08 -V/T= 2.3642 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.004504458 0.002079508 -0.003110678 2 6 -0.000027457 -0.000251558 0.000095213 3 8 0.000749009 -0.001078239 0.003068795 4 8 -0.000233411 0.000535074 0.000004186 5 6 -0.000201787 -0.000429573 -0.000591976 6 7 -0.000396117 -0.000036834 -0.000141219 7 6 0.001415186 0.001885330 0.000135276 8 8 -0.000301411 -0.001372719 0.000008322 9 7 0.003865743 0.000437129 0.002027845 10 6 -0.001812518 -0.001490363 -0.000164206 11 6 -0.000048091 0.000087270 -0.000048749 12 1 0.001262090 -0.000147695 -0.000244176 13 1 0.001035976 -0.000321458 0.000092363 14 1 -0.000319535 -0.000172215 0.000236280 15 1 -0.000037325 -0.000087482 0.000104921 16 53 -0.001058144 -0.000145518 0.000108354 17 1 -0.000210366 -0.000263249 0.000169519 18 1 0.000168390 0.000232864 0.000140414 19 1 0.000654227 0.000539729 -0.001890482 ------------------------------------------------------------------- Cartesian Forces: Max 0.004504458 RMS 0.001240408 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003508392 RMS 0.000816379 Search for a local minimum. Step number 20 out of a maximum of 102 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 18 17 19 20 DE= -2.33D-04 DEPred=-1.98D-04 R= 1.18D+00 TightC=F SS= 1.41D+00 RLast= 1.27D-01 DXNew= 2.0491D+00 3.7968D-01 Trust test= 1.18D+00 RLast= 1.27D-01 DXMaxT set to 1.22D+00 ITU= 1 1 -1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00236 0.00357 0.01007 0.01548 0.01786 Eigenvalues --- 0.01931 0.01988 0.02238 0.02591 0.04273 Eigenvalues --- 0.05300 0.05451 0.05645 0.05815 0.06079 Eigenvalues --- 0.06663 0.09028 0.14177 0.15237 0.15995 Eigenvalues --- 0.16016 0.16095 0.16350 0.16757 0.18987 Eigenvalues --- 0.22249 0.23435 0.23652 0.24979 0.25046 Eigenvalues --- 0.25413 0.29093 0.31316 0.33538 0.34930 Eigenvalues --- 0.35105 0.35401 0.35777 0.37961 0.42363 Eigenvalues --- 0.42875 0.43666 0.46852 0.47740 0.49192 Eigenvalues --- 0.50991 0.56447 0.66706 0.88746 0.95980 Eigenvalues --- 1.19739 RFO step: Lambda=-1.65788467D-04 EMin= 2.35547949D-03 Quartic linear search produced a step of 0.25580. Iteration 1 RMS(Cart)= 0.01216026 RMS(Int)= 0.00010706 Iteration 2 RMS(Cart)= 0.00012038 RMS(Int)= 0.00002050 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00002050 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89119 0.00061 0.00102 0.00081 0.00183 2.89302 R2 2.68613 0.00016 0.00357 0.00319 0.00676 2.69288 R3 2.86763 -0.00176 -0.00154 -0.00468 -0.00622 2.86142 R4 2.03204 0.00097 -0.00044 0.00139 0.00095 2.03300 R5 2.05183 0.00105 0.00020 0.00169 0.00189 2.05372 R6 2.05643 -0.00010 0.00019 -0.00027 -0.00008 2.05635 R7 2.04767 -0.00017 -0.00034 -0.00011 -0.00045 2.04722 R8 1.80547 0.00192 -0.00005 0.00127 0.00121 1.80668 R9 2.33314 0.00049 0.00007 0.00031 0.00038 2.33351 R10 2.63968 0.00033 0.00024 0.00071 0.00095 2.64063 R11 2.77708 0.00039 0.00004 0.00082 0.00085 2.77793 R12 2.60648 0.00054 0.00002 0.00098 0.00100 2.60749 R13 1.89455 -0.00013 -0.00031 -0.00044 -0.00074 1.89380 R14 2.34785 -0.00079 -0.00020 -0.00103 -0.00123 2.34662 R15 2.64842 0.00030 0.00161 0.00253 0.00415 2.65256 R16 2.66068 0.00351 0.00061 0.00382 0.00444 2.66511 R17 2.57280 0.00042 0.00031 0.00067 0.00098 2.57378 R18 4.02298 0.00040 -0.00009 0.00074 0.00065 4.02363 R19 2.02112 0.00030 0.00022 0.00077 0.00099 2.02211 A1 1.91828 -0.00143 0.00065 -0.00945 -0.00885 1.90943 A2 1.96388 0.00075 0.00064 0.00478 0.00543 1.96931 A3 1.91810 -0.00010 -0.00008 -0.00217 -0.00231 1.91579 A4 1.91846 0.00142 0.00067 0.00824 0.00893 1.92739 A5 1.93093 -0.00022 -0.00196 -0.00434 -0.00636 1.92456 A6 1.81209 -0.00035 -0.00002 0.00361 0.00360 1.81569 A7 1.89383 -0.00034 -0.00039 -0.00229 -0.00268 1.89115 A8 1.90903 0.00031 0.00195 0.00120 0.00315 1.91218 A9 1.96063 0.00033 -0.00002 0.00186 0.00184 1.96246 A10 1.90013 0.00001 -0.00065 0.00004 -0.00061 1.89952 A11 1.88848 0.00007 -0.00043 0.00124 0.00081 1.88929 A12 1.91074 -0.00039 -0.00051 -0.00209 -0.00261 1.90814 A13 1.99475 -0.00139 -0.00014 -0.00816 -0.00830 1.98645 A14 2.10735 -0.00028 -0.00005 -0.00062 -0.00067 2.10668 A15 2.18638 0.00019 0.00003 0.00066 0.00070 2.18709 A16 1.98942 0.00010 0.00003 -0.00004 -0.00003 1.98939 A17 2.20903 0.00034 0.00045 0.00131 0.00176 2.21079 A18 2.05476 -0.00018 -0.00037 -0.00068 -0.00105 2.05371 A19 2.01928 -0.00016 -0.00008 -0.00061 -0.00069 2.01859 A20 2.09893 0.00112 -0.00068 0.00286 0.00216 2.10108 A21 2.04631 0.00011 -0.00030 -0.00085 -0.00115 2.04516 A22 2.13791 -0.00123 0.00104 -0.00200 -0.00098 2.13693 A23 2.00581 -0.00239 0.00155 -0.00069 0.00076 2.00657 A24 2.18777 0.00270 -0.00074 0.00220 0.00136 2.18914 A25 2.08776 -0.00028 -0.00045 -0.00061 -0.00112 2.08664 A26 2.13190 -0.00066 0.00034 0.00013 0.00048 2.13238 A27 2.13815 0.00233 -0.00008 0.00121 0.00111 2.13926 A28 2.01279 -0.00167 -0.00016 -0.00136 -0.00153 2.01126 A29 2.10180 0.00040 -0.00007 0.00004 -0.00003 2.10177 A30 2.04264 0.00002 0.00005 0.00085 0.00090 2.04354 A31 2.13864 -0.00042 0.00002 -0.00089 -0.00086 2.13778 D1 1.02404 -0.00074 -0.00219 0.01275 0.01058 1.03462 D2 3.09468 -0.00075 -0.00208 0.01215 0.01008 3.10476 D3 -1.06305 -0.00081 -0.00138 0.01157 0.01021 -1.05284 D4 -3.11499 0.00057 -0.00041 0.01983 0.01941 -3.09558 D5 -1.04435 0.00056 -0.00030 0.01923 0.01892 -1.02543 D6 1.08111 0.00050 0.00040 0.01865 0.01905 1.10015 D7 -1.10500 0.00053 -0.00010 0.02576 0.02565 -1.07935 D8 0.96564 0.00052 0.00000 0.02516 0.02515 0.99079 D9 3.09110 0.00046 0.00071 0.02459 0.02528 3.11638 D10 -2.74405 0.00073 0.01683 -0.02512 -0.00833 -2.75239 D11 1.36844 -0.00022 0.01512 -0.03034 -0.01522 1.35322 D12 -0.62266 -0.00049 0.01586 -0.03698 -0.02108 -0.64374 D13 1.85563 0.00029 0.00417 0.01307 0.01724 1.87286 D14 -1.22002 -0.00004 -0.00139 -0.00277 -0.00418 -1.22420 D15 -2.28350 0.00000 0.00593 0.01023 0.01618 -2.26732 D16 0.92403 -0.00032 0.00038 -0.00562 -0.00524 0.91880 D17 -0.21754 0.00023 0.00395 0.01105 0.01501 -0.20253 D18 2.99000 -0.00009 -0.00160 -0.00479 -0.00640 2.98360 D19 3.13068 -0.00014 -0.00096 -0.00077 -0.00173 3.12895 D20 0.00589 -0.00018 -0.00114 -0.00240 -0.00354 0.00235 D21 -0.02029 0.00003 0.00023 -0.00043 -0.00020 -0.02048 D22 3.13811 -0.00001 0.00005 -0.00205 -0.00200 3.13611 D23 -3.14096 0.00009 -0.00044 0.00305 0.00262 -3.13834 D24 0.01537 0.00009 -0.00024 0.00282 0.00258 0.01795 D25 0.01050 -0.00009 -0.00169 0.00270 0.00101 0.01151 D26 -3.11636 -0.00009 -0.00149 0.00246 0.00098 -3.11538 D27 -3.11605 -0.00041 -0.00380 -0.00625 -0.01006 -3.12611 D28 0.01610 0.00003 0.00022 -0.00603 -0.00582 0.01029 D29 0.00903 -0.00036 -0.00363 -0.00466 -0.00828 0.00075 D30 3.14118 0.00007 0.00039 -0.00444 -0.00404 3.13714 D31 -3.08109 -0.00047 -0.00446 -0.00478 -0.00925 -3.09034 D32 -0.00136 -0.00003 0.00072 0.01020 0.01091 0.00954 D33 0.05084 -0.00001 -0.00037 -0.00453 -0.00490 0.04594 D34 3.13056 0.00042 0.00481 0.01045 0.01526 -3.13736 D35 3.06575 0.00025 0.00364 0.00816 0.01179 3.07753 D36 -0.10540 0.00028 0.00714 0.00749 0.01462 -0.09079 D37 -0.00705 -0.00002 -0.00224 -0.00837 -0.01060 -0.01765 D38 3.10499 0.00001 0.00126 -0.00905 -0.00777 3.09721 D39 0.00208 0.00009 0.00274 0.00163 0.00437 0.00646 D40 3.12811 0.00009 0.00252 0.00190 0.00442 3.13253 D41 -3.11193 -0.00000 -0.00053 0.00222 0.00170 -3.11024 D42 0.01409 -0.00000 -0.00074 0.00249 0.00175 0.01584 Item Value Threshold Converged? Maximum Force 0.003508 0.000450 NO RMS Force 0.000816 0.000300 NO Maximum Displacement 0.054855 0.001800 NO RMS Displacement 0.012138 0.001200 NO Predicted change in Energy=-9.371206D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.085507 -4.975577 2.197089 2 6 0 7.204530 -4.945283 3.723074 3 8 0 7.113883 -6.327275 1.746792 4 8 0 2.716655 -1.987715 0.371753 5 6 0 3.626245 -2.715441 0.781502 6 7 0 4.963069 -2.332379 0.644474 7 6 0 6.070209 -3.038823 1.067664 8 8 0 7.211110 -2.578322 0.899433 9 7 0 5.841877 -4.275745 1.690717 10 6 0 4.520326 -4.743146 1.845754 11 6 0 3.442584 -4.023198 1.427248 12 1 0 7.894908 -4.419367 1.757909 13 1 0 8.139700 -5.423007 4.002958 14 1 0 7.220757 -3.912949 4.066805 15 1 0 5.152064 -1.451035 0.206487 16 53 0 4.068130 -6.638496 2.704083 17 1 0 2.438347 -4.376609 1.535052 18 1 0 6.394414 -5.473175 4.211620 19 1 0 7.379686 -6.424458 0.833586 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.530920 0.000000 3 O 1.425013 2.413258 0.000000 4 O 5.598753 6.334002 6.329150 0.000000 5 C 4.367905 5.140930 5.112803 1.234842 0.000000 6 N 3.728518 4.618354 4.669080 2.289006 1.397359 7 C 2.461188 3.460126 3.516304 3.582660 2.481820 8 O 2.728831 3.684494 3.844753 4.563704 3.589424 9 N 1.514197 2.536844 2.414523 4.091670 2.858365 10 C 2.599541 3.281789 3.040690 3.608090 2.458374 11 C 3.843249 4.502587 4.346184 2.405044 1.470016 12 H 1.075815 2.148275 2.061610 5.886312 4.698747 13 H 2.138383 1.086784 2.638236 7.375386 6.170898 14 H 2.154834 1.088176 3.350053 6.135705 5.014755 15 H 4.485877 5.365516 5.477134 2.499311 2.063368 16 I 3.482370 3.707063 3.207784 5.375501 4.391120 17 H 4.732140 5.275162 5.070560 2.671616 2.176791 18 H 2.187133 1.083344 2.706012 6.357588 5.199382 19 H 2.011203 3.250812 0.956054 6.453049 5.277105 6 7 8 9 10 6 N 0.000000 7 C 1.379823 0.000000 8 O 2.275781 1.241779 0.000000 9 N 2.375626 1.403677 2.319951 0.000000 10 C 2.729633 2.431518 3.580825 1.410318 0.000000 11 C 2.404886 2.828906 4.070385 2.426891 1.361984 12 H 3.767086 2.389951 2.143364 2.059145 3.391217 13 H 5.560790 4.310810 4.311193 3.455816 4.267975 14 H 4.394054 3.329069 3.437087 2.771051 3.593692 15 H 1.002157 2.026249 2.447574 3.264624 3.731526 16 I 4.856495 4.432136 5.442434 3.123408 2.129215 17 H 3.368416 3.898532 5.139758 3.408581 2.136709 18 H 4.963656 3.989441 4.474120 2.845011 3.105233 19 H 4.756144 3.637588 3.850391 2.777858 3.468030 11 12 13 14 15 11 C 0.000000 12 H 4.482128 0.000000 13 H 5.536844 2.471328 0.000000 14 H 4.610206 2.458036 1.768844 0.000000 15 H 3.320934 4.329099 6.254256 5.024198 0.000000 16 I 2.976810 4.523716 4.443216 4.384595 5.858553 17 H 1.070053 5.461278 6.300075 5.431041 4.205749 18 H 4.309114 3.063118 1.758431 1.771474 5.810519 19 H 4.649651 2.267204 3.409610 4.097150 5.485479 16 17 18 19 16 I 0.000000 17 H 3.023071 0.000000 18 H 3.007032 4.900709 0.000000 19 H 3.809327 5.394680 3.645108 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.123236 2.136813 -0.061271 2 6 0 0.492243 2.477457 1.298458 3 8 0 0.891576 2.167185 -1.061219 4 8 0 -3.104445 -2.599115 0.110250 5 6 0 -2.376299 -1.603362 0.054453 6 7 0 -2.925664 -0.322457 -0.046005 7 6 0 -2.232565 0.869335 -0.102199 8 8 0 -2.843173 1.948181 -0.174758 9 7 0 -0.831127 0.798289 -0.067069 10 6 0 -0.200117 -0.460597 0.010586 11 6 0 -0.906544 -1.623344 0.073668 12 1 0 -0.899556 2.843463 -0.296541 13 1 0 0.937710 3.466672 1.234318 14 1 0 -0.287048 2.491673 2.057820 15 1 0 -3.924566 -0.244977 -0.068625 16 53 0 1.917168 -0.684720 -0.010183 17 1 0 -0.432925 -2.581526 0.124538 18 1 0 1.264475 1.775930 1.590265 19 1 0 0.556997 2.300264 -1.946875 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8342173 0.4597482 0.3154412 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 376.9232658104 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.62D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000116 -0.000635 0.000097 Ang= 0.07 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.399434771 A.U. after 13 cycles NFock= 13 Conv=0.50D-08 -V/T= 2.3645 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.001998839 0.000010628 -0.001106608 2 6 0.000393323 0.000155021 0.000091673 3 8 -0.000337071 0.001411985 0.001646772 4 8 0.000115610 0.000081628 0.000056182 5 6 -0.000157878 -0.000187724 -0.000127412 6 7 -0.000100331 -0.000361270 0.000283020 7 6 0.000569965 0.000140692 0.000179129 8 8 -0.000316290 -0.000773932 0.000216986 9 7 0.001797965 0.000021123 0.000405361 10 6 -0.001050080 -0.000582104 0.000037287 11 6 0.000392373 -0.000051654 -0.000105283 12 1 0.000482017 0.000209569 -0.000137015 13 1 0.000288959 -0.000078546 -0.000006044 14 1 -0.000172904 0.000028467 0.000004605 15 1 0.000035728 0.000277905 -0.000136161 16 53 -0.000544054 0.000041205 0.000113247 17 1 0.000156654 -0.000077737 0.000004615 18 1 -0.000021460 -0.000095116 -0.000054255 19 1 0.000466312 -0.000170141 -0.001366097 ------------------------------------------------------------------- Cartesian Forces: Max 0.001998839 RMS 0.000587236 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001942795 RMS 0.000491755 Search for a local minimum. Step number 21 out of a maximum of 102 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 17 19 20 21 DE= -1.15D-04 DEPred=-9.37D-05 R= 1.23D+00 TightC=F SS= 1.41D+00 RLast= 8.22D-02 DXNew= 2.0491D+00 2.4647D-01 Trust test= 1.23D+00 RLast= 8.22D-02 DXMaxT set to 1.22D+00 ITU= 1 1 1 -1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 ITU= 0 Eigenvalues --- 0.00222 0.00387 0.00967 0.01437 0.01782 Eigenvalues --- 0.01929 0.01974 0.02237 0.02627 0.04278 Eigenvalues --- 0.05311 0.05353 0.05631 0.05772 0.06048 Eigenvalues --- 0.06711 0.08959 0.14170 0.15298 0.15980 Eigenvalues --- 0.16023 0.16186 0.16286 0.17186 0.18958 Eigenvalues --- 0.22252 0.23406 0.23780 0.24858 0.24982 Eigenvalues --- 0.25274 0.29025 0.30917 0.32689 0.34897 Eigenvalues --- 0.35153 0.35318 0.35835 0.38035 0.42336 Eigenvalues --- 0.42897 0.43716 0.46610 0.47894 0.48733 Eigenvalues --- 0.50750 0.56456 0.72789 0.88812 0.96072 Eigenvalues --- 1.11039 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 21 20 RFO step: Lambda=-5.70893839D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.66927 -0.66927 Iteration 1 RMS(Cart)= 0.01078550 RMS(Int)= 0.00009589 Iteration 2 RMS(Cart)= 0.00010551 RMS(Int)= 0.00001654 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001654 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89302 0.00007 0.00122 -0.00067 0.00055 2.89357 R2 2.69288 -0.00126 0.00452 -0.00250 0.00202 2.69490 R3 2.86142 -0.00173 -0.00416 -0.00237 -0.00653 2.85489 R4 2.03300 0.00053 0.00064 0.00004 0.00068 2.03368 R5 2.05372 0.00028 0.00127 -0.00053 0.00074 2.05446 R6 2.05635 0.00003 -0.00005 0.00023 0.00018 2.05653 R7 2.04722 0.00004 -0.00030 0.00050 0.00020 2.04742 R8 1.80668 0.00145 0.00081 0.00125 0.00207 1.80875 R9 2.33351 -0.00006 0.00025 -0.00037 -0.00011 2.33340 R10 2.64063 -0.00009 0.00063 -0.00052 0.00011 2.64073 R11 2.77793 -0.00002 0.00057 -0.00072 -0.00016 2.77777 R12 2.60749 -0.00016 0.00067 -0.00101 -0.00034 2.60715 R13 1.89380 0.00031 -0.00050 0.00104 0.00054 1.89434 R14 2.34662 -0.00061 -0.00082 -0.00009 -0.00091 2.34571 R15 2.65256 -0.00088 0.00278 -0.00204 0.00075 2.65331 R16 2.66511 0.00135 0.00297 -0.00096 0.00202 2.66713 R17 2.57378 -0.00035 0.00066 -0.00111 -0.00045 2.57333 R18 4.02363 0.00012 0.00044 -0.00092 -0.00048 4.02315 R19 2.02211 -0.00012 0.00066 -0.00080 -0.00014 2.02197 A1 1.90943 -0.00011 -0.00592 0.00419 -0.00177 1.90766 A2 1.96931 0.00056 0.00363 -0.00012 0.00352 1.97283 A3 1.91579 -0.00022 -0.00155 -0.00096 -0.00254 1.91325 A4 1.92739 -0.00008 0.00598 -0.00508 0.00091 1.92830 A5 1.92456 0.00002 -0.00426 0.00302 -0.00129 1.92328 A6 1.81569 -0.00017 0.00241 -0.00123 0.00119 1.81688 A7 1.89115 -0.00008 -0.00179 0.00016 -0.00163 1.88952 A8 1.91218 0.00001 0.00211 -0.00031 0.00179 1.91397 A9 1.96246 -0.00011 0.00123 -0.00221 -0.00098 1.96148 A10 1.89952 0.00008 -0.00041 0.00073 0.00033 1.89985 A11 1.88929 0.00008 0.00054 -0.00012 0.00042 1.88971 A12 1.90814 0.00002 -0.00174 0.00182 0.00007 1.90821 A13 1.98645 0.00003 -0.00556 0.00603 0.00047 1.98692 A14 2.10668 -0.00015 -0.00045 -0.00024 -0.00068 2.10600 A15 2.18709 0.00012 0.00047 0.00025 0.00073 2.18781 A16 1.98939 0.00003 -0.00002 0.00000 -0.00003 1.98936 A17 2.21079 -0.00005 0.00118 -0.00091 0.00027 2.21106 A18 2.05371 0.00001 -0.00070 0.00014 -0.00056 2.05315 A19 2.01859 0.00005 -0.00046 0.00079 0.00033 2.01892 A20 2.10108 0.00062 0.00144 -0.00060 0.00083 2.10192 A21 2.04516 0.00016 -0.00077 0.00062 -0.00014 2.04502 A22 2.13693 -0.00078 -0.00066 -0.00003 -0.00070 2.13623 A23 2.00657 -0.00194 0.00051 -0.00130 -0.00087 2.00570 A24 2.18914 0.00176 0.00091 0.00047 0.00130 2.19044 A25 2.08664 0.00019 -0.00075 0.00080 0.00000 2.08664 A26 2.13238 -0.00063 0.00032 -0.00119 -0.00085 2.13153 A27 2.13926 0.00137 0.00074 0.00091 0.00164 2.14090 A28 2.01126 -0.00074 -0.00103 0.00032 -0.00071 2.01055 A29 2.10177 0.00030 -0.00002 0.00078 0.00076 2.10252 A30 2.04354 -0.00003 0.00060 -0.00016 0.00043 2.04397 A31 2.13778 -0.00027 -0.00058 -0.00058 -0.00116 2.13662 D1 1.03462 -0.00009 0.00708 0.01272 0.01981 1.05443 D2 3.10476 -0.00004 0.00675 0.01351 0.02028 3.12504 D3 -1.05284 -0.00007 0.00684 0.01412 0.02097 -1.03187 D4 -3.09558 0.00012 0.01299 0.00916 0.02215 -3.07343 D5 -1.02543 0.00017 0.01266 0.00995 0.02261 -1.00282 D6 1.10015 0.00014 0.01275 0.01056 0.02331 1.12346 D7 -1.07935 0.00010 0.01717 0.00694 0.02410 -1.05525 D8 0.99079 0.00015 0.01683 0.00774 0.02456 1.01535 D9 3.11638 0.00012 0.01692 0.00835 0.02526 -3.14155 D10 -2.75239 0.00034 -0.00558 0.02320 0.01759 -2.73479 D11 1.35322 -0.00024 -0.01019 0.02392 0.01374 1.36695 D12 -0.64374 0.00001 -0.01411 0.02660 0.01252 -0.63122 D13 1.87286 -0.00000 0.01154 -0.00430 0.00724 1.88010 D14 -1.22420 -0.00011 -0.00280 -0.00368 -0.00649 -1.23069 D15 -2.26732 0.00020 0.01083 -0.00270 0.00814 -2.25919 D16 0.91880 0.00009 -0.00351 -0.00208 -0.00559 0.91321 D17 -0.20253 0.00008 0.01005 -0.00232 0.00773 -0.19479 D18 2.98360 -0.00003 -0.00429 -0.00170 -0.00599 2.97761 D19 3.12895 -0.00001 -0.00116 0.00198 0.00083 3.12977 D20 0.00235 -0.00007 -0.00237 -0.00011 -0.00247 -0.00012 D21 -0.02048 0.00005 -0.00013 0.00364 0.00351 -0.01698 D22 3.13611 -0.00001 -0.00134 0.00155 0.00021 3.13632 D23 -3.13834 0.00006 0.00175 0.00142 0.00317 -3.13517 D24 0.01795 0.00002 0.00173 -0.00116 0.00057 0.01852 D25 0.01151 -0.00000 0.00068 -0.00033 0.00035 0.01186 D26 -3.11538 -0.00005 0.00065 -0.00290 -0.00224 -3.11763 D27 -3.12611 -0.00015 -0.00673 0.00132 -0.00541 -3.13152 D28 0.01029 -0.00004 -0.00389 -0.00202 -0.00591 0.00437 D29 0.00075 -0.00009 -0.00554 0.00336 -0.00218 -0.00143 D30 3.13714 0.00001 -0.00271 0.00003 -0.00268 3.13446 D31 -3.09034 -0.00016 -0.00619 -0.00235 -0.00852 -3.09886 D32 0.00954 -0.00002 0.00730 -0.00293 0.00436 0.01390 D33 0.04594 -0.00005 -0.00328 -0.00576 -0.00903 0.03691 D34 -3.13736 0.00010 0.01021 -0.00635 0.00385 -3.13351 D35 3.07753 0.00013 0.00789 0.00547 0.01336 3.09089 D36 -0.09079 0.00018 0.00978 0.00747 0.01726 -0.07353 D37 -0.01765 0.00007 -0.00710 0.00617 -0.00093 -0.01859 D38 3.09721 0.00012 -0.00520 0.00817 0.00297 3.10018 D39 0.00646 -0.00006 0.00293 -0.00442 -0.00149 0.00496 D40 3.13253 -0.00001 0.00296 -0.00170 0.00126 3.13380 D41 -3.11024 -0.00014 0.00113 -0.00630 -0.00516 -3.11540 D42 0.01584 -0.00009 0.00117 -0.00358 -0.00240 0.01344 Item Value Threshold Converged? Maximum Force 0.001943 0.000450 NO RMS Force 0.000492 0.000300 NO Maximum Displacement 0.048878 0.001800 NO RMS Displacement 0.010784 0.001200 NO Predicted change in Energy=-2.872636D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.080834 -4.973314 2.198250 2 6 0 7.209607 -4.950350 3.723865 3 8 0 7.107449 -6.324599 1.743248 4 8 0 2.718735 -1.989193 0.360006 5 6 0 3.626517 -2.716429 0.774426 6 7 0 4.963646 -2.332158 0.643310 7 6 0 6.069630 -3.037453 1.070826 8 8 0 7.210993 -2.579292 0.902910 9 7 0 5.839411 -4.271793 1.699173 10 6 0 4.516597 -4.740219 1.850007 11 6 0 3.441045 -4.022406 1.423054 12 1 0 7.890722 -4.417311 1.758821 13 1 0 8.156888 -5.411107 3.992769 14 1 0 7.206842 -3.920673 4.076126 15 1 0 5.153402 -1.451475 0.203673 16 53 0 4.058501 -6.628576 2.719904 17 1 0 2.436763 -4.376118 1.528722 18 1 0 6.413897 -5.499040 4.213403 19 1 0 7.382521 -6.420494 0.831508 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531212 0.000000 3 O 1.426081 2.412849 0.000000 4 O 5.595716 6.344441 6.322177 0.000000 5 C 4.364987 5.150546 5.106309 1.234782 0.000000 6 N 3.725054 4.624834 4.663190 2.288561 1.397415 7 C 2.457880 3.463717 3.512058 3.582264 2.481876 8 O 2.725104 3.685066 3.839820 4.563261 3.589399 9 N 1.510742 2.537175 2.413271 4.091730 2.858533 10 C 2.598253 3.287522 3.038778 3.608401 2.458626 11 C 3.840992 4.511859 4.341098 2.405361 1.469930 12 H 1.076176 2.146962 2.061918 5.882337 4.695260 13 H 2.137722 1.087175 2.645021 7.381056 6.176025 14 H 2.156467 1.088270 3.351278 6.138670 5.016986 15 H 4.482932 5.372323 5.471373 2.498236 2.063309 16 I 3.485185 3.708618 3.215951 5.374753 4.390489 17 H 4.729937 5.284735 5.065363 2.672605 2.176935 18 H 2.186786 1.083449 2.695223 6.389203 5.228668 19 H 2.013288 3.249147 0.957147 6.450554 5.275502 6 7 8 9 10 6 N 0.000000 7 C 1.379642 0.000000 8 O 2.275750 1.241297 0.000000 9 N 2.375709 1.404071 2.319447 0.000000 10 C 2.730335 2.432786 3.581393 1.411386 0.000000 11 C 2.404839 2.829073 4.070091 2.427054 1.361747 12 H 3.762978 2.386152 2.138441 2.057331 3.390767 13 H 5.558381 4.304490 4.296641 3.453885 4.277060 14 H 4.397674 3.332440 3.445087 2.764609 3.586737 15 H 1.002442 2.026512 2.448384 3.265168 3.732529 16 I 4.857030 4.433990 5.443931 3.125373 2.128959 17 H 3.368510 3.898642 5.139407 3.408511 2.135767 18 H 4.987778 4.006709 4.485494 2.856137 3.124291 19 H 4.754037 3.636746 3.845693 2.784052 3.474793 11 12 13 14 15 11 C 0.000000 12 H 4.479767 0.000000 13 H 5.547171 2.459472 0.000000 14 H 4.607643 2.466626 1.769443 0.000000 15 H 3.320955 4.325226 6.249549 5.030849 0.000000 16 I 2.975768 4.527614 4.460851 4.368539 5.859403 17 H 1.069981 5.458965 6.313680 5.426818 4.205879 18 H 4.336398 3.062045 1.759099 1.771679 5.835200 19 H 4.651450 2.265153 3.407651 4.099697 5.482180 16 17 18 19 16 I 0.000000 17 H 3.020350 0.000000 18 H 3.009033 4.928089 0.000000 19 H 3.828635 5.396860 3.636554 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.129671 2.135505 -0.064119 2 6 0 0.496887 2.486909 1.288121 3 8 0 0.877883 2.166835 -1.072861 4 8 0 -3.100108 -2.603682 0.105138 5 6 0 -2.373168 -1.607033 0.050966 6 7 0 -2.925061 -0.326456 -0.040164 7 6 0 -2.234515 0.866693 -0.094515 8 8 0 -2.846234 1.944547 -0.164150 9 7 0 -0.832531 0.798226 -0.060305 10 6 0 -0.198483 -0.460798 0.009338 11 6 0 -0.903423 -1.624479 0.066446 12 1 0 -0.909045 2.840643 -0.295443 13 1 0 0.918034 3.486806 1.218907 14 1 0 -0.270445 2.481154 2.059807 15 1 0 -3.924480 -0.251141 -0.059635 16 53 0 1.918712 -0.683625 -0.008017 17 1 0 -0.427602 -2.581742 0.112311 18 1 0 1.289850 1.802787 1.565695 19 1 0 0.536998 2.308878 -1.955897 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8332761 0.4597511 0.3152577 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 376.9060538043 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.64D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000331 -0.000489 -0.000754 Ang= 0.11 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.399470991 A.U. after 13 cycles NFock= 13 Conv=0.35D-08 -V/T= 2.3646 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.000368021 -0.000770520 -0.000637219 2 6 0.000250563 -0.000028851 0.000096183 3 8 -0.000155954 0.001402414 0.000605393 4 8 -0.000019434 -0.000045999 -0.000044879 5 6 0.000027912 0.000035497 0.000114450 6 7 -0.000080368 -0.000090490 0.000009287 7 6 -0.000053379 -0.000245249 0.000509379 8 8 0.000125635 -0.000309788 0.000037206 9 7 0.000304886 0.000134361 -0.000360643 10 6 -0.000215771 -0.000199559 0.000101030 11 6 0.000128575 -0.000026493 -0.000151195 12 1 0.000172498 0.000095096 -0.000050038 13 1 0.000000643 0.000002708 0.000077982 14 1 -0.000073165 -0.000016899 -0.000112948 15 1 0.000019086 0.000020511 -0.000015776 16 53 -0.000189450 0.000044672 0.000085957 17 1 0.000057950 0.000007430 -0.000035361 18 1 0.000046978 -0.000055108 -0.000041771 19 1 0.000020817 0.000046267 -0.000187036 ------------------------------------------------------------------- Cartesian Forces: Max 0.001402414 RMS 0.000283298 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001508702 RMS 0.000254294 Search for a local minimum. Step number 22 out of a maximum of 102 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 17 19 20 21 22 DE= -3.62D-05 DEPred=-2.87D-05 R= 1.26D+00 TightC=F SS= 1.41D+00 RLast= 8.05D-02 DXNew= 2.0491D+00 2.4144D-01 Trust test= 1.26D+00 RLast= 8.05D-02 DXMaxT set to 1.22D+00 ITU= 1 1 1 1 -1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 ITU= 0 0 Eigenvalues --- 0.00203 0.00385 0.00989 0.01274 0.01789 Eigenvalues --- 0.01929 0.01982 0.02234 0.02626 0.04275 Eigenvalues --- 0.05100 0.05375 0.05671 0.05849 0.06115 Eigenvalues --- 0.06687 0.08949 0.14182 0.15253 0.16006 Eigenvalues --- 0.16028 0.16263 0.16606 0.17570 0.19181 Eigenvalues --- 0.22269 0.23418 0.23744 0.24884 0.25103 Eigenvalues --- 0.25481 0.29298 0.31642 0.33704 0.34979 Eigenvalues --- 0.35219 0.35538 0.35849 0.38253 0.42321 Eigenvalues --- 0.42924 0.43559 0.46437 0.48424 0.49618 Eigenvalues --- 0.51787 0.56885 0.66459 0.88763 0.90475 Eigenvalues --- 1.02308 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 22 21 20 RFO step: Lambda=-1.65312803D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.44675 -0.37798 -0.06877 Iteration 1 RMS(Cart)= 0.00606473 RMS(Int)= 0.00002447 Iteration 2 RMS(Cart)= 0.00002785 RMS(Int)= 0.00000546 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000546 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89357 0.00004 0.00037 -0.00003 0.00035 2.89392 R2 2.69490 -0.00151 0.00137 -0.00337 -0.00200 2.69290 R3 2.85489 -0.00048 -0.00334 0.00138 -0.00197 2.85292 R4 2.03368 0.00020 0.00037 -0.00001 0.00036 2.03404 R5 2.05446 0.00002 0.00046 -0.00025 0.00021 2.05468 R6 2.05653 -0.00005 0.00007 -0.00016 -0.00009 2.05645 R7 2.04742 -0.00003 0.00006 -0.00010 -0.00004 2.04738 R8 1.80875 0.00018 0.00101 -0.00035 0.00066 1.80940 R9 2.33340 0.00000 -0.00002 0.00001 -0.00001 2.33339 R10 2.64073 -0.00007 0.00011 -0.00013 -0.00002 2.64071 R11 2.77777 -0.00005 -0.00001 -0.00018 -0.00020 2.77757 R12 2.60715 -0.00004 -0.00008 -0.00005 -0.00014 2.60701 R13 1.89434 0.00003 0.00019 -0.00015 0.00004 1.89439 R14 2.34571 -0.00000 -0.00049 0.00040 -0.00009 2.34562 R15 2.65331 -0.00078 0.00062 -0.00121 -0.00059 2.65272 R16 2.66713 0.00033 0.00121 -0.00053 0.00068 2.66781 R17 2.57333 -0.00008 -0.00013 0.00001 -0.00012 2.57321 R18 4.02315 0.00004 -0.00017 -0.00003 -0.00020 4.02295 R19 2.02197 -0.00006 0.00001 -0.00014 -0.00014 2.02184 A1 1.90766 0.00003 -0.00140 0.00064 -0.00077 1.90689 A2 1.97283 0.00031 0.00195 0.00001 0.00196 1.97478 A3 1.91325 -0.00011 -0.00130 0.00016 -0.00114 1.91210 A4 1.92830 -0.00023 0.00102 -0.00155 -0.00053 1.92777 A5 1.92328 0.00005 -0.00101 0.00062 -0.00040 1.92288 A6 1.81688 -0.00006 0.00078 0.00013 0.00091 1.81778 A7 1.88952 0.00015 -0.00091 0.00126 0.00035 1.88987 A8 1.91397 -0.00016 0.00102 -0.00122 -0.00021 1.91377 A9 1.96148 -0.00004 -0.00031 -0.00022 -0.00054 1.96095 A10 1.89985 0.00003 0.00010 0.00013 0.00023 1.90008 A11 1.88971 -0.00005 0.00024 -0.00047 -0.00023 1.88948 A12 1.90821 0.00008 -0.00015 0.00055 0.00041 1.90861 A13 1.98692 -0.00011 -0.00036 -0.00007 -0.00043 1.98649 A14 2.10600 0.00005 -0.00035 0.00041 0.00006 2.10606 A15 2.18781 -0.00002 0.00037 -0.00032 0.00005 2.18786 A16 1.98936 -0.00002 -0.00001 -0.00009 -0.00011 1.98926 A17 2.21106 -0.00007 0.00024 -0.00029 -0.00005 2.21101 A18 2.05315 0.00005 -0.00032 0.00026 -0.00006 2.05308 A19 2.01892 0.00002 0.00010 0.00004 0.00014 2.01906 A20 2.10192 0.00032 0.00052 -0.00010 0.00042 2.10233 A21 2.04502 0.00011 -0.00014 0.00028 0.00014 2.04516 A22 2.13623 -0.00043 -0.00038 -0.00017 -0.00055 2.13568 A23 2.00570 -0.00095 -0.00034 -0.00052 -0.00088 2.00482 A24 2.19044 0.00076 0.00068 0.00011 0.00075 2.19119 A25 2.08664 0.00019 -0.00007 0.00033 0.00024 2.08688 A26 2.13153 -0.00030 -0.00035 -0.00030 -0.00064 2.13089 A27 2.14090 0.00051 0.00081 0.00010 0.00091 2.14181 A28 2.01055 -0.00021 -0.00042 0.00020 -0.00023 2.01032 A29 2.10252 0.00010 0.00034 0.00014 0.00047 2.10300 A30 2.04397 -0.00005 0.00026 -0.00037 -0.00012 2.04385 A31 2.13662 -0.00005 -0.00058 0.00024 -0.00034 2.13629 D1 1.05443 0.00005 0.00958 0.00196 0.01154 1.06598 D2 3.12504 0.00008 0.00975 0.00216 0.01191 3.13695 D3 -1.03187 0.00004 0.01007 0.00185 0.01192 -1.01994 D4 -3.07343 -0.00001 0.01123 0.00043 0.01166 -3.06177 D5 -1.00282 0.00002 0.01140 0.00063 0.01203 -0.99079 D6 1.12346 -0.00002 0.01172 0.00032 0.01204 1.13550 D7 -1.05525 0.00003 0.01253 0.00070 0.01322 -1.04203 D8 1.01535 0.00006 0.01270 0.00089 0.01359 1.02895 D9 -3.14155 0.00002 0.01302 0.00058 0.01360 -3.12795 D10 -2.73479 0.00009 0.00729 -0.00289 0.00440 -2.73040 D11 1.36695 -0.00017 0.00509 -0.00227 0.00282 1.36977 D12 -0.63122 0.00001 0.00414 -0.00190 0.00225 -0.62897 D13 1.88010 -0.00001 0.00442 -0.00459 -0.00018 1.87993 D14 -1.23069 -0.00002 -0.00318 -0.00134 -0.00453 -1.23522 D15 -2.25919 0.00008 0.00475 -0.00492 -0.00017 -2.25935 D16 0.91321 0.00007 -0.00286 -0.00167 -0.00452 0.90869 D17 -0.19479 -0.00001 0.00449 -0.00487 -0.00039 -0.19518 D18 2.97761 -0.00002 -0.00312 -0.00162 -0.00474 2.97286 D19 3.12977 0.00004 0.00025 0.00162 0.00187 3.13164 D20 -0.00012 0.00001 -0.00135 0.00096 -0.00038 -0.00050 D21 -0.01698 0.00001 0.00155 0.00096 0.00252 -0.01446 D22 3.13632 -0.00002 -0.00004 0.00031 0.00027 3.13658 D23 -3.13517 -0.00002 0.00160 -0.00131 0.00029 -3.13488 D24 0.01852 -0.00005 0.00043 -0.00199 -0.00155 0.01697 D25 0.01186 0.00001 0.00023 -0.00062 -0.00039 0.01147 D26 -3.11763 -0.00001 -0.00094 -0.00130 -0.00223 -3.11986 D27 -3.13152 -0.00009 -0.00311 -0.00012 -0.00323 -3.13475 D28 0.00437 0.00002 -0.00304 0.00113 -0.00191 0.00246 D29 -0.00143 -0.00006 -0.00154 0.00053 -0.00102 -0.00245 D30 3.13446 0.00005 -0.00147 0.00177 0.00030 3.13476 D31 -3.09886 -0.00009 -0.00444 -0.00052 -0.00495 -3.10382 D32 0.01390 -0.00007 0.00270 -0.00356 -0.00087 0.01303 D33 0.03691 0.00003 -0.00437 0.00076 -0.00360 0.03331 D34 -3.13351 0.00005 0.00277 -0.00229 0.00048 -3.13303 D35 3.09089 0.00009 0.00678 0.00062 0.00740 3.09829 D36 -0.07353 0.00011 0.00872 0.00097 0.00969 -0.06383 D37 -0.01859 0.00009 -0.00115 0.00402 0.00288 -0.01571 D38 3.10018 0.00011 0.00079 0.00438 0.00517 3.10535 D39 0.00496 -0.00007 -0.00037 -0.00183 -0.00219 0.00277 D40 3.13380 -0.00004 0.00087 -0.00112 -0.00025 3.13355 D41 -3.11540 -0.00009 -0.00219 -0.00215 -0.00434 -3.11973 D42 0.01344 -0.00007 -0.00095 -0.00144 -0.00240 0.01104 Item Value Threshold Converged? Maximum Force 0.001509 0.000450 NO RMS Force 0.000254 0.000300 YES Maximum Displacement 0.022621 0.001800 NO RMS Displacement 0.006066 0.001200 NO Predicted change in Energy=-8.250729D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.078934 -4.972898 2.198394 2 6 0 7.213745 -4.952257 3.723704 3 8 0 7.102519 -6.322894 1.742722 4 8 0 2.719887 -1.991452 0.351742 5 6 0 3.626865 -2.717379 0.770177 6 7 0 4.964052 -2.331565 0.644421 7 6 0 6.069107 -3.036336 1.074960 8 8 0 7.210971 -2.578841 0.908994 9 7 0 5.837938 -4.270421 1.702759 10 6 0 4.514684 -4.739399 1.851365 11 6 0 3.440409 -4.022843 1.419316 12 1 0 7.889162 -4.418132 1.757560 13 1 0 8.166941 -5.403657 3.987997 14 1 0 7.201207 -3.923505 4.078309 15 1 0 5.154525 -1.450958 0.204889 16 53 0 4.053386 -6.623475 2.728563 17 1 0 2.436043 -4.376715 1.522905 18 1 0 6.425868 -5.510904 4.214600 19 1 0 7.377757 -6.418370 0.830623 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531395 0.000000 3 O 1.425021 2.411495 0.000000 4 O 5.594679 6.350689 6.316936 0.000000 5 C 4.363937 5.155939 5.101544 1.234775 0.000000 6 N 3.723466 4.627217 4.659401 2.288583 1.397403 7 C 2.456039 3.463639 3.509318 3.582192 2.481768 8 O 2.722406 3.681808 3.837291 4.563484 3.589467 9 N 1.509702 2.538103 2.411101 4.091600 2.858407 10 C 2.598139 3.291792 3.035811 3.608515 2.458811 11 C 3.840369 4.517973 4.336574 2.405289 1.469824 12 H 1.076368 2.146439 2.060861 5.881028 4.694108 13 H 2.138221 1.087287 2.649387 7.384841 6.179218 14 H 2.156445 1.088224 3.349891 6.140224 5.017409 15 H 4.481236 5.374156 5.467667 2.498231 2.063279 16 I 3.487038 3.710950 3.218609 5.374304 4.390306 17 H 4.729499 5.291616 5.060823 2.672390 2.176707 18 H 2.186557 1.083428 2.688376 6.406442 5.244258 19 H 2.012332 3.247507 0.957494 6.443809 5.269741 6 7 8 9 10 6 N 0.000000 7 C 1.379570 0.000000 8 O 2.275915 1.241249 0.000000 9 N 2.375483 1.403759 2.318777 0.000000 10 C 2.730625 2.432994 3.581346 1.411745 0.000000 11 C 2.404657 2.828751 4.069731 2.426887 1.361685 12 H 3.761530 2.384932 2.136117 2.057265 3.391034 13 H 5.556595 4.300105 4.286458 3.454097 4.283154 14 H 4.396672 3.329989 3.442786 2.760813 3.583625 15 H 1.002466 2.026551 2.448848 3.264972 3.732844 16 I 4.857310 4.434536 5.444286 3.126302 2.128854 17 H 3.368264 3.898259 5.138986 3.408304 2.135457 18 H 4.999128 4.013490 4.487807 2.862482 3.135717 19 H 4.750012 3.634614 3.843948 2.783046 3.472469 11 12 13 14 15 11 C 0.000000 12 H 4.479069 0.000000 13 H 5.553816 2.454235 0.000000 14 H 4.606920 2.470589 1.769646 0.000000 15 H 3.320786 4.323557 6.245830 5.030485 0.000000 16 I 2.975426 4.529853 4.471629 4.361242 5.859725 17 H 1.069910 5.458322 6.322537 5.426074 4.205635 18 H 4.352114 3.061441 1.759030 1.771880 5.846132 19 H 4.646269 2.263117 3.409026 4.099143 5.478092 16 17 18 19 16 I 0.000000 17 H 3.019494 0.000000 18 H 3.012439 4.944725 0.000000 19 H 3.833496 5.391488 3.630549 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.133300 2.135225 -0.068170 2 6 0 0.497251 2.494192 1.280429 3 8 0 0.870627 2.164662 -1.079086 4 8 0 -3.097213 -2.606819 0.101122 5 6 0 -2.371360 -1.609277 0.049037 6 7 0 -2.924610 -0.328863 -0.035761 7 6 0 -2.235189 0.864892 -0.089225 8 8 0 -2.847446 1.942543 -0.156371 9 7 0 -0.833372 0.797687 -0.058705 10 6 0 -0.197531 -0.461013 0.007661 11 6 0 -0.901677 -1.625248 0.061702 12 1 0 -0.913935 2.839202 -0.299673 13 1 0 0.905554 3.499388 1.209262 14 1 0 -0.265199 2.478221 2.056732 15 1 0 -3.924165 -0.254457 -0.052822 16 53 0 1.919703 -0.682709 -0.006070 17 1 0 -0.424940 -2.582102 0.104838 18 1 0 1.300585 1.819944 1.552201 19 1 0 0.526792 2.305912 -1.961481 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8328589 0.4598262 0.3151718 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 376.9371953055 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.66D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000360 -0.000201 -0.000484 Ang= 0.07 deg. ExpMin= 7.80D-02 ExpMax= 1.92D+01 ExpMxC= 1.92D+01 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 Defaulting to unpruned grid for atomic number 53. 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) = -114.399480953 A.U. after 12 cycles NFock= 12 Conv=0.78D-08 -V/T= 2.3645 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.000315934 -0.000604656 -0.000115369 2 6 0.000052538 0.000112707 0.000029570 3 8 0.000007515 0.000494646 -0.000170832 4 8 -0.000024238 -0.000045302 -0.000045414 5 6 0.000100319 0.000054172 0.000074671 6 7 -0.000083911 0.000028065 -0.000040314 7 6 -0.000128456 -0.000238945 0.000317644 8 8 0.000140946 -0.000035678 0.000007838 9 7 -0.000163364 0.000155009 -0.000286716 10 6 0.000042992 -0.000023300 0.000079369 11 6 0.000019619 -0.000057639 -0.000077678 12 1 -0.000064568 0.000137108 0.000007113 13 1 -0.000059783 0.000026882 0.000006966 14 1 -0.000011369 -0.000012608 -0.000017504 15 1 0.000023649 0.000001837 0.000003619 16 53 -0.000019688 0.000057242 0.000059542 17 1 -0.000008555 0.000014899 -0.000013759 18 1 -0.000015487 -0.000038840 -0.000027316 19 1 -0.000124094 -0.000025596 0.000208571 ------------------------------------------------------------------- Cartesian Forces: Max 0.000604656 RMS 0.000147912 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000458353 RMS 0.000090072 Search for a local minimum. Step number 23 out of a maximum of 102 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 17 19 20 21 22 23 DE= -9.96D-06 DEPred=-8.25D-06 R= 1.21D+00 TightC=F SS= 1.41D+00 RLast= 4.23D-02 DXNew= 2.0491D+00 1.2689D-01 Trust test= 1.21D+00 RLast= 4.23D-02 DXMaxT set to 1.22D+00 ITU= 1 1 1 1 1 -1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 ITU= 1 0 0 Eigenvalues --- 0.00197 0.00391 0.00976 0.01083 0.01800 Eigenvalues --- 0.01929 0.02009 0.02227 0.02557 0.04271 Eigenvalues --- 0.05355 0.05404 0.05670 0.05963 0.06084 Eigenvalues --- 0.06694 0.09130 0.14173 0.15179 0.16023 Eigenvalues --- 0.16037 0.16237 0.16443 0.17640 0.19376 Eigenvalues --- 0.22565 0.23492 0.23578 0.24989 0.25105 Eigenvalues --- 0.25388 0.29474 0.31552 0.33250 0.34977 Eigenvalues --- 0.35257 0.35467 0.35872 0.38087 0.42382 Eigenvalues --- 0.42990 0.43617 0.46560 0.48336 0.49610 Eigenvalues --- 0.52534 0.56060 0.63201 0.88705 0.89839 Eigenvalues --- 1.00656 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 23 22 21 20 RFO step: Lambda=-4.96317077D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.78916 -0.95021 0.12736 0.03369 Iteration 1 RMS(Cart)= 0.00417584 RMS(Int)= 0.00000654 Iteration 2 RMS(Cart)= 0.00000893 RMS(Int)= 0.00000264 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000264 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89392 -0.00001 0.00012 -0.00009 0.00003 2.89395 R2 2.69290 -0.00046 -0.00213 0.00068 -0.00146 2.69144 R3 2.85292 0.00002 -0.00029 0.00024 -0.00005 2.85287 R4 2.03404 0.00002 0.00015 0.00005 0.00019 2.03423 R5 2.05468 -0.00006 -0.00001 -0.00003 -0.00005 2.05463 R6 2.05645 -0.00002 -0.00009 0.00005 -0.00004 2.05640 R7 2.04738 0.00002 -0.00005 0.00006 0.00001 2.04739 R8 1.80940 -0.00023 0.00014 -0.00010 0.00004 1.80944 R9 2.33339 0.00001 -0.00001 0.00000 -0.00000 2.33338 R10 2.64071 -0.00006 -0.00007 -0.00005 -0.00011 2.64060 R11 2.77757 0.00002 -0.00016 0.00018 0.00002 2.77758 R12 2.60701 0.00001 -0.00009 0.00012 0.00003 2.60704 R13 1.89439 0.00000 -0.00003 0.00012 0.00009 1.89448 R14 2.34562 0.00012 0.00012 0.00003 0.00015 2.34577 R15 2.65272 -0.00036 -0.00073 -0.00016 -0.00089 2.65183 R16 2.66781 -0.00004 0.00006 -0.00009 -0.00003 2.66778 R17 2.57321 -0.00000 -0.00005 -0.00004 -0.00010 2.57312 R18 4.02295 -0.00002 -0.00010 -0.00026 -0.00037 4.02259 R19 2.02184 0.00000 -0.00012 0.00004 -0.00008 2.02176 A1 1.90689 0.00013 -0.00002 0.00070 0.00068 1.90757 A2 1.97478 -0.00004 0.00079 -0.00088 -0.00009 1.97469 A3 1.91210 -0.00000 -0.00041 -0.00007 -0.00048 1.91162 A4 1.92777 -0.00011 -0.00087 0.00022 -0.00065 1.92712 A5 1.92288 0.00005 0.00011 0.00127 0.00138 1.92425 A6 1.81778 -0.00003 0.00040 -0.00125 -0.00085 1.81694 A7 1.88987 0.00005 0.00063 -0.00051 0.00012 1.88999 A8 1.91377 -0.00001 -0.00056 0.00068 0.00013 1.91390 A9 1.96095 -0.00006 -0.00033 -0.00018 -0.00050 1.96044 A10 1.90008 -0.00000 0.00015 -0.00005 0.00010 1.90018 A11 1.88948 -0.00000 -0.00027 0.00014 -0.00013 1.88935 A12 1.90861 0.00003 0.00040 -0.00010 0.00030 1.90891 A13 1.98649 0.00010 -0.00013 0.00086 0.00073 1.98722 A14 2.10606 0.00004 0.00018 -0.00009 0.00009 2.10614 A15 2.18786 -0.00004 -0.00010 -0.00007 -0.00017 2.18769 A16 1.98926 0.00001 -0.00008 0.00016 0.00009 1.98934 A17 2.21101 -0.00007 -0.00015 -0.00012 -0.00026 2.21074 A18 2.05308 0.00006 0.00008 0.00020 0.00028 2.05336 A19 2.01906 0.00001 0.00008 -0.00008 -0.00000 2.01906 A20 2.10233 0.00008 0.00012 0.00019 0.00032 2.10265 A21 2.04516 0.00005 0.00017 -0.00004 0.00013 2.04530 A22 2.13568 -0.00013 -0.00029 -0.00016 -0.00044 2.13524 A23 2.00482 -0.00030 -0.00058 -0.00017 -0.00074 2.00407 A24 2.19119 0.00019 0.00034 0.00001 0.00036 2.19155 A25 2.08688 0.00011 0.00022 0.00017 0.00040 2.08728 A26 2.13089 -0.00009 -0.00038 0.00003 -0.00036 2.13053 A27 2.14181 0.00009 0.00041 -0.00024 0.00018 2.14198 A28 2.01032 0.00000 -0.00001 0.00021 0.00021 2.01053 A29 2.10300 -0.00000 0.00025 -0.00017 0.00008 2.10308 A30 2.04385 -0.00002 -0.00019 0.00004 -0.00015 2.04370 A31 2.13629 0.00002 -0.00005 0.00013 0.00008 2.13637 D1 1.06598 0.00007 0.00556 -0.00015 0.00541 1.07139 D2 3.13695 0.00008 0.00580 -0.00012 0.00568 -3.14056 D3 -1.01994 0.00007 0.00569 0.00012 0.00581 -1.01413 D4 -3.06177 -0.00000 0.00498 0.00004 0.00502 -3.05675 D5 -0.99079 0.00002 0.00521 0.00007 0.00528 -0.98551 D6 1.13550 0.00001 0.00510 0.00030 0.00541 1.14091 D7 -1.04203 -0.00007 0.00569 -0.00209 0.00360 -1.03843 D8 1.02895 -0.00005 0.00592 -0.00206 0.00386 1.03281 D9 -3.12795 -0.00006 0.00582 -0.00183 0.00399 -3.12396 D10 -2.73040 -0.00008 0.00092 -0.00189 -0.00097 -2.73137 D11 1.36977 -0.00005 0.00052 -0.00141 -0.00089 1.36888 D12 -0.62897 0.00003 0.00047 -0.00075 -0.00028 -0.62925 D13 1.87993 -0.00003 -0.00188 -0.00051 -0.00239 1.87753 D14 -1.23522 -0.00001 -0.00239 -0.00073 -0.00312 -1.23834 D15 -2.25935 0.00003 -0.00199 -0.00007 -0.00206 -2.26141 D16 0.90869 0.00005 -0.00249 -0.00029 -0.00278 0.90590 D17 -0.19518 0.00002 -0.00206 0.00083 -0.00123 -0.19641 D18 2.97286 0.00003 -0.00256 0.00060 -0.00196 2.97090 D19 3.13164 0.00003 0.00140 0.00116 0.00255 3.13420 D20 -0.00050 0.00002 0.00022 0.00065 0.00087 0.00037 D21 -0.01446 0.00002 0.00143 0.00160 0.00303 -0.01144 D22 3.13658 0.00000 0.00024 0.00110 0.00134 3.13792 D23 -3.13488 -0.00002 -0.00037 -0.00066 -0.00103 -3.13591 D24 0.01697 -0.00004 -0.00140 -0.00118 -0.00258 0.01439 D25 0.01147 -0.00001 -0.00040 -0.00113 -0.00153 0.00994 D26 -3.11986 -0.00002 -0.00143 -0.00165 -0.00308 -3.12294 D27 -3.13475 -0.00003 -0.00134 -0.00009 -0.00143 -3.13618 D28 0.00246 0.00002 -0.00036 -0.00018 -0.00054 0.00192 D29 -0.00245 -0.00002 -0.00017 0.00040 0.00023 -0.00222 D30 3.13476 0.00003 0.00081 0.00031 0.00112 3.13588 D31 -3.10382 -0.00005 -0.00222 -0.00197 -0.00419 -3.10801 D32 0.01303 -0.00007 -0.00175 -0.00176 -0.00351 0.00952 D33 0.03331 -0.00000 -0.00122 -0.00206 -0.00328 0.03002 D34 -3.13303 -0.00001 -0.00075 -0.00185 -0.00260 -3.13563 D35 3.09829 0.00006 0.00329 0.00244 0.00574 3.10403 D36 -0.06383 0.00008 0.00438 0.00252 0.00690 -0.05693 D37 -0.01571 0.00008 0.00278 0.00221 0.00499 -0.01072 D38 3.10535 0.00010 0.00386 0.00229 0.00615 3.11151 D39 0.00277 -0.00004 -0.00164 -0.00069 -0.00233 0.00044 D40 3.13355 -0.00003 -0.00055 -0.00014 -0.00069 3.13285 D41 -3.11973 -0.00006 -0.00265 -0.00076 -0.00341 -3.12314 D42 0.01104 -0.00004 -0.00156 -0.00021 -0.00177 0.00927 Item Value Threshold Converged? Maximum Force 0.000458 0.000450 NO RMS Force 0.000090 0.000300 YES Maximum Displacement 0.014957 0.001800 NO RMS Displacement 0.004177 0.001200 NO Predicted change in Energy=-2.393164D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.078480 -4.973460 2.197759 2 6 0 7.216270 -4.952789 3.722818 3 8 0 7.099340 -6.322509 1.741560 4 8 0 2.720913 -1.994722 0.344178 5 6 0 3.627431 -2.718804 0.766784 6 7 0 4.964434 -2.330934 0.646166 7 6 0 6.068823 -3.035180 1.079322 8 8 0 7.211035 -2.577066 0.916908 9 7 0 5.837137 -4.269912 1.704599 10 6 0 4.513871 -4.739014 1.852530 11 6 0 3.440298 -4.023807 1.416679 12 1 0 7.887816 -4.418104 1.755783 13 1 0 8.171793 -5.400329 3.985159 14 1 0 7.199966 -3.924297 4.077955 15 1 0 5.155504 -1.449987 0.207462 16 53 0 4.051588 -6.619645 2.736111 17 1 0 2.435842 -4.377674 1.518979 18 1 0 6.431684 -5.515287 4.214598 19 1 0 7.371775 -6.418479 0.828649 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531410 0.000000 3 O 1.424249 2.411470 0.000000 4 O 5.594375 6.354022 6.312926 0.000000 5 C 4.363588 5.158352 5.098140 1.234773 0.000000 6 N 3.722845 4.627167 4.657294 2.288585 1.397344 7 C 2.455043 3.461492 3.508141 3.582107 2.481566 8 O 2.720451 3.676576 3.836779 4.563807 3.589546 9 N 1.509675 2.538018 2.409912 4.091220 2.858012 10 C 2.598340 3.293423 3.033879 3.608457 2.458835 11 C 3.840351 4.520979 4.333379 2.405193 1.469835 12 H 1.076470 2.146180 2.061226 5.878970 4.692187 13 H 2.138306 1.087262 2.652227 7.386947 6.180594 14 H 2.156534 1.088202 3.349670 6.142170 5.017974 15 H 4.480400 5.373464 5.465659 2.498532 2.063431 16 I 3.487381 3.710419 3.219661 5.374193 4.390299 17 H 4.729671 5.295295 5.057681 2.672056 2.176587 18 H 2.186221 1.083433 2.685757 6.414386 5.250864 19 H 2.012104 3.247867 0.957516 6.436990 5.264174 6 7 8 9 10 6 N 0.000000 7 C 1.379588 0.000000 8 O 2.276202 1.241327 0.000000 9 N 2.375190 1.403286 2.318141 0.000000 10 C 2.730782 2.432854 3.581075 1.411727 0.000000 11 C 2.404683 2.828487 4.069556 2.426583 1.361634 12 H 3.759480 2.383026 2.133346 2.056664 3.390553 13 H 5.554927 4.296545 4.278789 3.453899 4.285538 14 H 4.394722 3.325930 3.436185 2.758545 3.582092 15 H 1.002515 2.026606 2.449251 3.264663 3.733048 16 I 4.857387 4.434251 5.443717 3.126251 2.128660 17 H 3.368193 3.897966 5.138788 3.408060 2.135422 18 H 5.002663 4.014044 4.485007 2.864357 3.140059 19 H 4.747274 3.634175 3.845787 2.781859 3.469373 11 12 13 14 15 11 C 0.000000 12 H 4.477821 0.000000 13 H 5.556883 2.452658 0.000000 14 H 4.607319 2.471734 1.769670 0.000000 15 H 3.320947 4.321175 6.242933 5.028196 0.000000 16 I 2.975392 4.530394 4.474700 4.356343 5.859869 17 H 1.069868 5.457264 6.326847 5.426857 4.205709 18 H 4.359043 3.061030 1.758930 1.772055 5.849141 19 H 4.640770 2.264370 3.411776 4.099811 5.475732 16 17 18 19 16 I 0.000000 17 H 3.019682 0.000000 18 H 3.011708 4.952502 0.000000 19 H 3.834387 5.385617 3.628247 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.134407 2.135014 -0.072815 2 6 0 0.497912 2.497701 1.273977 3 8 0 0.866913 2.161794 -1.085300 4 8 0 -3.096292 -2.607956 0.096025 5 6 0 -2.370830 -1.609982 0.046846 6 7 0 -2.924474 -0.329418 -0.031912 7 6 0 -2.235027 0.864386 -0.084424 8 8 0 -2.847013 1.942529 -0.147458 9 7 0 -0.833588 0.797079 -0.058888 10 6 0 -0.197147 -0.461368 0.006129 11 6 0 -0.901121 -1.625756 0.057808 12 1 0 -0.916753 2.837413 -0.303809 13 1 0 0.900990 3.504879 1.201459 14 1 0 -0.262223 2.477984 2.052432 15 1 0 -3.924108 -0.254850 -0.046369 16 53 0 1.920007 -0.682162 -0.004041 17 1 0 -0.424358 -2.582623 0.099294 18 1 0 1.305532 1.827569 1.543234 19 1 0 0.521819 2.299683 -1.967759 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8329020 0.4599232 0.3151860 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 376.9784222978 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.66D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000250 -0.000108 -0.000157 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) = -114.399484526 A.U. after 12 cycles NFock= 12 Conv=0.28D-08 -V/T= 2.3644 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.000328024 -0.000107379 0.000037264 2 6 0.000001760 0.000000814 0.000010260 3 8 0.000103691 0.000004245 -0.000267146 4 8 -0.000034987 -0.000008659 -0.000028468 5 6 0.000068118 0.000014096 0.000006114 6 7 0.000031690 0.000080860 -0.000059734 7 6 -0.000111825 -0.000070162 0.000123315 8 8 0.000040977 0.000131941 -0.000048394 9 7 -0.000263516 0.000038889 -0.000070106 10 6 0.000100435 0.000001963 -0.000019534 11 6 -0.000025836 0.000002514 -0.000031685 12 1 -0.000046266 -0.000079662 0.000017211 13 1 -0.000026354 0.000016815 0.000015140 14 1 0.000012544 -0.000021772 -0.000021528 15 1 -0.000011437 -0.000038215 0.000028788 16 53 -0.000010408 0.000015146 0.000033382 17 1 -0.000041354 0.000007176 0.000013315 18 1 -0.000008975 -0.000004824 0.000001890 19 1 -0.000106282 0.000016215 0.000259916 ------------------------------------------------------------------- Cartesian Forces: Max 0.000328024 RMS 0.000089742 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000311385 RMS 0.000055783 Search for a local minimum. Step number 24 out of a maximum of 102 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 17 19 20 21 22 23 24 DE= -3.57D-06 DEPred=-2.39D-06 R= 1.49D+00 TightC=F SS= 1.41D+00 RLast= 2.28D-02 DXNew= 2.0491D+00 6.8290D-02 Trust test= 1.49D+00 RLast= 2.28D-02 DXMaxT set to 1.22D+00 ITU= 1 1 1 1 1 1 -1 0 0 1 1 1 1 1 1 0 1 1 1 0 ITU= 1 1 0 0 Eigenvalues --- 0.00200 0.00376 0.00690 0.01000 0.01769 Eigenvalues --- 0.01929 0.01955 0.02224 0.02520 0.04312 Eigenvalues --- 0.05340 0.05369 0.05607 0.05895 0.06044 Eigenvalues --- 0.06748 0.09064 0.14189 0.15301 0.15992 Eigenvalues --- 0.16030 0.16309 0.16409 0.17475 0.18899 Eigenvalues --- 0.22750 0.23375 0.23636 0.24985 0.25089 Eigenvalues --- 0.25349 0.29337 0.31690 0.33482 0.34948 Eigenvalues --- 0.35318 0.35452 0.35912 0.38259 0.42378 Eigenvalues --- 0.42984 0.43745 0.46815 0.48421 0.48852 Eigenvalues --- 0.50847 0.56658 0.78630 0.88645 0.95179 Eigenvalues --- 0.99701 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 24 23 22 21 20 RFO step: Lambda=-2.08277455D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.34699 0.06267 -0.58916 0.13587 0.04364 Iteration 1 RMS(Cart)= 0.00288838 RMS(Int)= 0.00000445 Iteration 2 RMS(Cart)= 0.00000471 RMS(Int)= 0.00000364 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000364 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89395 0.00000 -0.00003 -0.00001 -0.00004 2.89391 R2 2.69144 -0.00002 -0.00198 0.00114 -0.00084 2.69060 R3 2.85287 0.00031 0.00062 -0.00001 0.00061 2.85348 R4 2.03423 -0.00008 0.00005 -0.00009 -0.00004 2.03419 R5 2.05463 -0.00003 -0.00014 0.00011 -0.00003 2.05459 R6 2.05640 -0.00003 -0.00008 -0.00001 -0.00008 2.05632 R7 2.04739 0.00001 -0.00003 0.00005 0.00002 2.04741 R8 1.80944 -0.00028 -0.00014 -0.00012 -0.00026 1.80918 R9 2.33338 0.00003 -0.00000 0.00002 0.00002 2.33340 R10 2.64060 -0.00003 -0.00011 0.00002 -0.00009 2.64051 R11 2.77758 0.00000 -0.00008 0.00009 0.00001 2.77759 R12 2.60704 0.00000 -0.00003 0.00001 -0.00002 2.60702 R13 1.89448 -0.00005 -0.00001 0.00000 -0.00001 1.89447 R14 2.34577 0.00009 0.00023 -0.00010 0.00013 2.34590 R15 2.65183 0.00008 -0.00087 0.00053 -0.00033 2.65149 R16 2.66778 -0.00004 -0.00029 0.00023 -0.00006 2.66772 R17 2.57312 0.00006 -0.00004 0.00005 0.00001 2.57312 R18 4.02259 0.00000 -0.00015 0.00006 -0.00009 4.02250 R19 2.02176 0.00004 -0.00010 0.00012 0.00002 2.02178 A1 1.90757 0.00002 0.00062 -0.00033 0.00030 1.90787 A2 1.97469 -0.00004 -0.00010 0.00010 0.00000 1.97470 A3 1.91162 0.00002 -0.00008 0.00009 0.00002 1.91164 A4 1.92712 -0.00001 -0.00100 0.00041 -0.00059 1.92653 A5 1.92425 -0.00002 0.00082 -0.00056 0.00027 1.92452 A6 1.81694 0.00003 -0.00029 0.00029 -0.00000 1.81694 A7 1.88999 0.00004 0.00059 -0.00034 0.00025 1.89025 A8 1.91390 -0.00002 -0.00050 0.00023 -0.00027 1.91363 A9 1.96044 -0.00000 -0.00030 0.00016 -0.00014 1.96030 A10 1.90018 -0.00001 0.00010 -0.00008 0.00001 1.90019 A11 1.88935 -0.00001 -0.00025 0.00023 -0.00001 1.88934 A12 1.90891 0.00001 0.00037 -0.00021 0.00016 1.90907 A13 1.98722 0.00003 0.00035 -0.00000 0.00035 1.98757 A14 2.10614 0.00002 0.00021 -0.00012 0.00009 2.10623 A15 2.18769 -0.00003 -0.00020 0.00009 -0.00011 2.18758 A16 1.98934 0.00000 -0.00001 0.00003 0.00003 1.98937 A17 2.21074 -0.00001 -0.00024 0.00008 -0.00016 2.21059 A18 2.05336 0.00000 0.00022 -0.00008 0.00013 2.05349 A19 2.01906 0.00001 0.00003 -0.00000 0.00003 2.01908 A20 2.10265 -0.00015 0.00004 -0.00025 -0.00021 2.10243 A21 2.04530 0.00004 0.00018 0.00001 0.00019 2.04548 A22 2.13524 0.00011 -0.00021 0.00024 0.00003 2.13527 A23 2.00407 0.00009 -0.00050 0.00021 -0.00027 2.00380 A24 2.19155 -0.00003 0.00014 0.00008 0.00024 2.19179 A25 2.08728 -0.00006 0.00028 -0.00025 0.00004 2.08732 A26 2.13053 0.00002 -0.00026 0.00016 -0.00010 2.13043 A27 2.14198 0.00000 0.00009 0.00002 0.00012 2.14210 A28 2.01053 -0.00003 0.00017 -0.00017 0.00001 2.01053 A29 2.10308 0.00000 0.00009 -0.00004 0.00005 2.10313 A30 2.04370 -0.00001 -0.00022 0.00011 -0.00011 2.04359 A31 2.13637 0.00001 0.00014 -0.00007 0.00007 2.13644 D1 1.07139 0.00001 0.00259 -0.00129 0.00130 1.07269 D2 -3.14056 0.00001 0.00277 -0.00146 0.00131 -3.13924 D3 -1.01413 0.00000 0.00269 -0.00145 0.00123 -1.01290 D4 -3.05675 -0.00001 0.00169 -0.00094 0.00076 -3.05600 D5 -0.98551 -0.00002 0.00187 -0.00110 0.00077 -0.98474 D6 1.14091 -0.00002 0.00179 -0.00110 0.00069 1.14160 D7 -1.03843 0.00001 0.00122 -0.00045 0.00077 -1.03766 D8 1.03281 0.00000 0.00140 -0.00062 0.00078 1.03359 D9 -3.12396 0.00000 0.00132 -0.00062 0.00071 -3.12325 D10 -2.73137 -0.00004 -0.00133 0.00012 -0.00121 -2.73258 D11 1.36888 0.00001 -0.00096 -0.00006 -0.00102 1.36786 D12 -0.62925 -0.00001 -0.00050 -0.00033 -0.00083 -0.63009 D13 1.87753 -0.00001 -0.00295 0.00054 -0.00241 1.87513 D14 -1.23834 -0.00000 -0.00159 -0.00106 -0.00265 -1.24099 D15 -2.26141 -0.00001 -0.00295 0.00049 -0.00246 -2.26387 D16 0.90590 -0.00001 -0.00159 -0.00112 -0.00270 0.90320 D17 -0.19641 -0.00002 -0.00263 0.00020 -0.00243 -0.19884 D18 2.97090 -0.00002 -0.00127 -0.00141 -0.00267 2.96823 D19 3.13420 0.00001 0.00158 0.00006 0.00164 3.13584 D20 0.00037 0.00001 0.00074 0.00010 0.00085 0.00122 D21 -0.01144 0.00002 0.00146 0.00057 0.00203 -0.00940 D22 3.13792 0.00002 0.00062 0.00062 0.00124 3.13917 D23 -3.13591 -0.00001 -0.00092 -0.00028 -0.00120 -3.13710 D24 0.01439 -0.00002 -0.00175 -0.00036 -0.00211 0.01228 D25 0.00994 -0.00002 -0.00080 -0.00082 -0.00161 0.00833 D26 -3.12294 -0.00003 -0.00162 -0.00090 -0.00253 -3.12547 D27 -3.13618 -0.00000 -0.00041 -0.00030 -0.00070 -3.13688 D28 0.00192 0.00001 0.00035 -0.00012 0.00023 0.00215 D29 -0.00222 -0.00000 0.00042 -0.00034 0.00008 -0.00214 D30 3.13588 0.00001 0.00117 -0.00016 0.00101 3.13689 D31 -3.10801 -0.00003 -0.00155 -0.00164 -0.00320 -3.11121 D32 0.00952 -0.00004 -0.00283 -0.00014 -0.00297 0.00655 D33 0.03002 -0.00002 -0.00078 -0.00146 -0.00225 0.02777 D34 -3.13563 -0.00002 -0.00206 0.00004 -0.00202 -3.13765 D35 3.10403 0.00003 0.00211 0.00154 0.00365 3.10768 D36 -0.05693 0.00005 0.00263 0.00220 0.00483 -0.05211 D37 -0.01072 0.00003 0.00354 -0.00014 0.00340 -0.00731 D38 3.11151 0.00005 0.00406 0.00052 0.00458 3.11609 D39 0.00044 -0.00000 -0.00163 0.00064 -0.00099 -0.00054 D40 3.13285 0.00000 -0.00076 0.00073 -0.00003 3.13283 D41 -3.12314 -0.00002 -0.00211 0.00003 -0.00208 -3.12522 D42 0.00927 -0.00001 -0.00124 0.00012 -0.00112 0.00815 Item Value Threshold Converged? Maximum Force 0.000311 0.000450 YES RMS Force 0.000056 0.000300 YES Maximum Displacement 0.011687 0.001800 NO RMS Displacement 0.002888 0.001200 NO Predicted change in Energy=-1.012110D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.078504 -4.973907 2.197425 2 6 0 7.218422 -4.953044 3.722267 3 8 0 7.097096 -6.322530 1.741261 4 8 0 2.721262 -1.997349 0.338561 5 6 0 3.627564 -2.719927 0.764216 6 7 0 4.964349 -2.330294 0.647477 7 6 0 6.068350 -3.033815 1.082766 8 8 0 7.210490 -2.574378 0.923093 9 7 0 5.836664 -4.269505 1.705749 10 6 0 4.513440 -4.738916 1.852782 11 6 0 3.440180 -4.024650 1.414613 12 1 0 7.887564 -4.419177 1.754214 13 1 0 8.174292 -5.400397 3.983587 14 1 0 7.202455 -3.924461 4.077021 15 1 0 5.155633 -1.448971 0.209638 16 53 0 4.050520 -6.617479 2.740310 17 1 0 2.435677 -4.378636 1.516128 18 1 0 6.434484 -5.515561 4.215081 19 1 0 7.367054 -6.419002 0.827811 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531391 0.000000 3 O 1.423802 2.411348 0.000000 4 O 5.594715 6.356890 6.310521 0.000000 5 C 4.363886 5.160537 5.096176 1.234781 0.000000 6 N 3.722993 4.627526 4.656491 2.288607 1.397297 7 C 2.454961 3.460213 3.508215 3.582053 2.481418 8 O 2.720125 3.673349 3.838085 4.563749 3.589399 9 N 1.509998 2.538273 2.409327 4.091164 2.857936 10 C 2.598760 3.295110 3.032416 3.608456 2.458876 11 C 3.840740 4.523527 4.331280 2.405136 1.469840 12 H 1.076447 2.146159 2.061009 5.878776 4.692030 13 H 2.138462 1.087244 2.653056 7.389350 6.182395 14 H 2.156290 1.088159 3.349270 6.145807 5.020501 15 H 4.480392 5.373286 5.465045 2.498700 2.063464 16 I 3.487798 3.710820 3.219738 5.374097 4.390302 17 H 4.730154 5.298269 5.055515 2.671844 2.176530 18 H 2.186113 1.083444 2.685152 6.418197 5.253841 19 H 2.011815 3.247923 0.957379 6.432244 5.260322 6 7 8 9 10 6 N 0.000000 7 C 1.379578 0.000000 8 O 2.276112 1.241395 0.000000 9 N 2.375166 1.403110 2.318060 0.000000 10 C 2.730849 2.432702 3.581008 1.411696 0.000000 11 C 2.404668 2.828277 4.069412 2.426489 1.361637 12 H 3.759453 2.383194 2.133653 2.056926 3.390673 13 H 5.555078 4.295400 4.275736 3.454268 4.287158 14 H 4.394571 3.323403 3.430751 2.758147 3.583487 15 H 1.002509 2.026607 2.449081 3.264593 3.733105 16 I 4.857467 4.434155 5.443744 3.126276 2.128614 17 H 3.368152 3.897776 5.138665 3.408017 2.135472 18 H 5.003501 4.013043 4.482179 2.864750 3.142299 19 H 4.745845 3.634711 3.848990 2.780864 3.466463 11 12 13 14 15 11 C 0.000000 12 H 4.477746 0.000000 13 H 5.559148 2.452572 0.000000 14 H 4.610116 2.471751 1.769629 0.000000 15 H 3.320973 4.321029 6.242497 5.027344 0.000000 16 I 2.975357 4.530764 4.475770 4.355897 5.859953 17 H 1.069878 5.457234 6.329618 5.430159 4.205713 18 H 4.362488 3.060942 1.758916 1.772129 5.849461 19 H 4.636550 2.264609 3.412933 4.099658 5.474827 16 17 18 19 16 I 0.000000 17 H 3.019728 0.000000 18 H 3.012052 4.956552 0.000000 19 H 3.833593 5.381018 3.627601 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.134695 2.135247 -0.076407 2 6 0 0.498298 2.500929 1.269236 3 8 0 0.865570 2.159357 -1.089373 4 8 0 -3.095887 -2.608559 0.092365 5 6 0 -2.370649 -1.610310 0.045309 6 7 0 -2.924469 -0.329634 -0.029448 7 6 0 -2.234976 0.864171 -0.081065 8 8 0 -2.847205 1.942423 -0.141145 9 7 0 -0.833651 0.796866 -0.059264 10 6 0 -0.197022 -0.461491 0.004975 11 6 0 -0.900928 -1.625973 0.055502 12 1 0 -0.917348 2.836928 -0.308437 13 1 0 0.900452 3.508322 1.194873 14 1 0 -0.261392 2.481801 2.048078 15 1 0 -3.924112 -0.254953 -0.042102 16 53 0 1.920124 -0.682021 -0.002544 17 1 0 -0.424169 -2.582879 0.096375 18 1 0 1.306698 1.831915 1.538977 19 1 0 0.520122 2.294148 -1.972024 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8328669 0.4599617 0.3151685 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 376.9886672583 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.67D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 1.000000 0.000230 -0.000041 -0.000056 Ang= 0.03 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -114.399485805 A.U. after 11 cycles NFock= 11 Conv=0.84D-08 -V/T= 2.3644 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.000193160 0.000071078 0.000063670 2 6 -0.000034781 0.000008423 -0.000008126 3 8 0.000089101 -0.000272947 -0.000177717 4 8 -0.000033272 0.000011164 -0.000014708 5 6 0.000041076 -0.000003280 -0.000023165 6 7 0.000002831 0.000066410 -0.000032066 7 6 -0.000021923 0.000011989 -0.000041329 8 8 0.000006584 0.000109729 0.000002475 9 7 -0.000161014 0.000052364 0.000062487 10 6 0.000085643 -0.000003013 -0.000026664 11 6 -0.000040537 0.000015388 -0.000013767 12 1 -0.000039495 -0.000052806 0.000005839 13 1 -0.000007005 0.000007820 -0.000001658 14 1 0.000016667 -0.000009151 0.000012406 15 1 -0.000012931 -0.000035281 0.000027507 16 53 0.000002211 0.000001036 0.000017014 17 1 -0.000031033 0.000001725 0.000018596 18 1 -0.000006677 0.000008668 0.000001613 19 1 -0.000048605 0.000010687 0.000127594 ------------------------------------------------------------------- Cartesian Forces: Max 0.000272947 RMS 0.000066977 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000265000 RMS 0.000055380 Search for a local minimum. Step number 25 out of a maximum of 102 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 17 19 20 21 22 23 24 25 DE= -1.28D-06 DEPred=-1.01D-06 R= 1.26D+00 TightC=F SS= 1.41D+00 RLast= 1.35D-02 DXNew= 2.0491D+00 4.0540D-02 Trust test= 1.26D+00 RLast= 1.35D-02 DXMaxT set to 1.22D+00 ITU= 1 1 1 1 1 1 1 -1 0 0 1 1 1 1 1 1 0 1 1 1 ITU= 0 1 1 0 0 Eigenvalues --- 0.00203 0.00329 0.00468 0.00996 0.01751 Eigenvalues --- 0.01923 0.01929 0.02227 0.02542 0.04313 Eigenvalues --- 0.05379 0.05537 0.05705 0.06008 0.06141 Eigenvalues --- 0.06714 0.08976 0.14189 0.15327 0.16011 Eigenvalues --- 0.16030 0.16299 0.16655 0.17842 0.19113 Eigenvalues --- 0.22696 0.23453 0.23878 0.24890 0.25104 Eigenvalues --- 0.25445 0.29301 0.31778 0.33328 0.34940 Eigenvalues --- 0.35361 0.35538 0.35899 0.38360 0.42447 Eigenvalues --- 0.42998 0.44001 0.46805 0.48348 0.49793 Eigenvalues --- 0.52144 0.56935 0.78672 0.88718 0.93752 Eigenvalues --- 1.01306 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 25 24 23 22 21 20 RFO step: Lambda=-1.42493809D-06. DidBck=F Rises=F RFO-DIIS coefs: 2.75703 -2.00000 -0.00463 0.35411 -0.14251 RFO-DIIS coefs: 0.03600 Iteration 1 RMS(Cart)= 0.00420528 RMS(Int)= 0.00000547 Iteration 2 RMS(Cart)= 0.00001024 RMS(Int)= 0.00000102 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000102 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89391 0.00000 -0.00017 0.00007 -0.00010 2.89381 R2 2.69060 0.00027 -0.00066 0.00054 -0.00012 2.69048 R3 2.85348 0.00025 0.00110 -0.00028 0.00082 2.85431 R4 2.03419 -0.00006 -0.00017 0.00011 -0.00006 2.03413 R5 2.05459 -0.00001 -0.00009 0.00003 -0.00006 2.05453 R6 2.05632 -0.00000 -0.00009 0.00004 -0.00005 2.05627 R7 2.04741 0.00000 0.00008 -0.00008 -0.00000 2.04741 R8 1.80918 -0.00014 -0.00045 0.00014 -0.00031 1.80888 R9 2.33340 0.00004 0.00001 0.00005 0.00005 2.33345 R10 2.64051 -0.00001 -0.00015 0.00007 -0.00008 2.64043 R11 2.77759 0.00001 0.00001 0.00001 0.00002 2.77762 R12 2.60702 0.00003 -0.00008 0.00018 0.00010 2.60712 R13 1.89447 -0.00005 0.00003 -0.00012 -0.00009 1.89437 R14 2.34590 0.00005 0.00016 -0.00004 0.00012 2.34602 R15 2.65149 0.00017 -0.00029 0.00013 -0.00016 2.65133 R16 2.66772 -0.00003 -0.00021 0.00011 -0.00010 2.66762 R17 2.57312 0.00007 -0.00002 0.00011 0.00009 2.57321 R18 4.02250 0.00001 -0.00009 0.00008 -0.00001 4.02249 R19 2.02178 0.00003 0.00003 0.00001 0.00004 2.02182 A1 1.90787 -0.00002 0.00067 -0.00040 0.00028 1.90815 A2 1.97470 -0.00007 -0.00028 -0.00006 -0.00034 1.97435 A3 1.91164 0.00003 0.00024 -0.00004 0.00021 1.91185 A4 1.92653 0.00007 -0.00097 0.00077 -0.00020 1.92633 A5 1.92452 -0.00002 0.00033 -0.00003 0.00030 1.92482 A6 1.81694 0.00001 -0.00002 -0.00023 -0.00025 1.81668 A7 1.89025 -0.00000 0.00025 -0.00004 0.00021 1.89046 A8 1.91363 0.00002 -0.00037 0.00026 -0.00012 1.91351 A9 1.96030 -0.00000 -0.00016 -0.00001 -0.00018 1.96013 A10 1.90019 -0.00001 0.00000 -0.00004 -0.00004 1.90016 A11 1.88934 0.00000 0.00008 -0.00004 0.00004 1.88937 A12 1.90907 -0.00001 0.00021 -0.00013 0.00008 1.90915 A13 1.98757 0.00001 0.00090 -0.00069 0.00021 1.98778 A14 2.10623 0.00001 0.00007 0.00008 0.00015 2.10638 A15 2.18758 -0.00001 -0.00012 -0.00002 -0.00013 2.18745 A16 1.98937 -0.00000 0.00005 -0.00006 -0.00002 1.98935 A17 2.21059 0.00002 -0.00023 0.00017 -0.00006 2.21052 A18 2.05349 -0.00001 0.00016 -0.00007 0.00009 2.05358 A19 2.01908 -0.00000 0.00007 -0.00009 -0.00002 2.01906 A20 2.10243 -0.00010 -0.00054 0.00048 -0.00006 2.10237 A21 2.04548 0.00000 0.00029 -0.00018 0.00011 2.04559 A22 2.13527 0.00010 0.00026 -0.00030 -0.00004 2.13522 A23 2.00380 0.00016 -0.00019 0.00002 -0.00017 2.00363 A24 2.19179 -0.00010 0.00023 -0.00005 0.00019 2.19198 A25 2.08732 -0.00006 -0.00005 0.00005 0.00000 2.08732 A26 2.13043 0.00005 -0.00004 0.00002 -0.00003 2.13040 A27 2.14210 -0.00003 0.00007 0.00001 0.00008 2.14218 A28 2.01053 -0.00001 -0.00000 -0.00003 -0.00003 2.01050 A29 2.10313 -0.00000 0.00003 0.00001 0.00004 2.10317 A30 2.04359 -0.00000 -0.00011 0.00002 -0.00009 2.04351 A31 2.13644 0.00000 0.00009 -0.00003 0.00006 2.13649 D1 1.07269 -0.00002 -0.00017 -0.00067 -0.00084 1.07185 D2 -3.13924 -0.00002 -0.00023 -0.00060 -0.00083 -3.14007 D3 -1.01290 -0.00002 -0.00033 -0.00059 -0.00092 -1.01382 D4 -3.05600 0.00001 -0.00112 -0.00001 -0.00113 -3.05713 D5 -0.98474 0.00000 -0.00118 0.00006 -0.00112 -0.98586 D6 1.14160 0.00001 -0.00128 0.00007 -0.00121 1.14039 D7 -1.03766 0.00000 -0.00115 -0.00036 -0.00152 -1.03918 D8 1.03359 -0.00001 -0.00122 -0.00028 -0.00150 1.03209 D9 -3.12325 -0.00000 -0.00132 -0.00028 -0.00160 -3.12485 D10 -2.73258 -0.00003 -0.00081 0.00012 -0.00068 -2.73326 D11 1.36786 0.00003 -0.00026 -0.00005 -0.00031 1.36756 D12 -0.63009 -0.00002 0.00014 -0.00020 -0.00006 -0.63015 D13 1.87513 -0.00001 -0.00346 -0.00042 -0.00387 1.87125 D14 -1.24099 -0.00001 -0.00332 -0.00133 -0.00464 -1.24563 D15 -2.26387 -0.00003 -0.00350 -0.00040 -0.00390 -2.26778 D16 0.90320 -0.00003 -0.00336 -0.00131 -0.00467 0.89853 D17 -0.19884 -0.00001 -0.00359 -0.00019 -0.00379 -0.20263 D18 2.96823 -0.00001 -0.00345 -0.00111 -0.00456 2.96367 D19 3.13584 0.00000 0.00195 0.00002 0.00197 3.13780 D20 0.00122 0.00000 0.00123 0.00009 0.00133 0.00254 D21 -0.00940 0.00002 0.00260 0.00019 0.00279 -0.00661 D22 3.13917 0.00002 0.00188 0.00026 0.00215 3.14131 D23 -3.13710 -0.00000 -0.00168 0.00006 -0.00162 -3.13873 D24 0.01228 -0.00000 -0.00273 -0.00010 -0.00283 0.00946 D25 0.00833 -0.00002 -0.00237 -0.00012 -0.00249 0.00584 D26 -3.12547 -0.00002 -0.00341 -0.00028 -0.00369 -3.12916 D27 -3.13688 0.00002 -0.00031 0.00025 -0.00006 -3.13694 D28 0.00215 0.00000 0.00058 -0.00012 0.00047 0.00262 D29 -0.00214 0.00001 0.00039 0.00017 0.00057 -0.00157 D30 3.13689 -0.00000 0.00128 -0.00019 0.00109 3.13799 D31 -3.11121 -0.00002 -0.00395 -0.00088 -0.00483 -3.11604 D32 0.00655 -0.00001 -0.00408 -0.00003 -0.00411 0.00244 D33 0.02777 -0.00004 -0.00304 -0.00125 -0.00430 0.02348 D34 -3.13765 -0.00003 -0.00317 -0.00040 -0.00357 -3.14123 D35 3.10768 0.00002 0.00419 0.00104 0.00523 3.11291 D36 -0.05211 0.00003 0.00572 0.00131 0.00703 -0.04508 D37 -0.00731 0.00001 0.00434 0.00009 0.00443 -0.00289 D38 3.11609 0.00002 0.00587 0.00036 0.00623 3.12231 D39 -0.00054 0.00001 -0.00094 -0.00001 -0.00095 -0.00150 D40 3.13283 0.00001 0.00016 0.00016 0.00031 3.13314 D41 -3.12522 -0.00000 -0.00237 -0.00026 -0.00263 -3.12785 D42 0.00815 -0.00000 -0.00127 -0.00009 -0.00136 0.00679 Item Value Threshold Converged? Maximum Force 0.000265 0.000450 YES RMS Force 0.000055 0.000300 YES Maximum Displacement 0.018453 0.001800 NO RMS Displacement 0.004205 0.001200 NO Predicted change in Energy=-6.370924D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.078484 -4.974716 2.196758 2 6 0 7.221414 -4.952991 3.721258 3 8 0 7.094116 -6.323500 1.741156 4 8 0 2.721460 -2.001029 0.330896 5 6 0 3.627537 -2.721543 0.760592 6 7 0 4.963987 -2.329305 0.649370 7 6 0 6.067654 -3.031567 1.087690 8 8 0 7.209593 -2.569812 0.932858 9 7 0 5.836049 -4.268827 1.707385 10 6 0 4.512925 -4.738853 1.852841 11 6 0 3.439954 -4.025923 1.411645 12 1 0 7.887024 -4.421004 1.751411 13 1 0 8.176669 -5.402326 3.981288 14 1 0 7.208514 -3.924083 4.075109 15 1 0 5.155378 -1.447278 0.213111 16 53 0 4.049317 -6.614866 2.745372 17 1 0 2.435433 -4.380210 1.512176 18 1 0 6.437004 -5.513265 4.215870 19 1 0 7.361488 -6.420901 0.827215 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531339 0.000000 3 O 1.423740 2.411494 0.000000 4 O 5.595347 6.360677 6.308146 0.000000 5 C 4.364447 5.163415 5.094386 1.234809 0.000000 6 N 3.723400 4.627764 4.656505 2.288693 1.397255 7 C 2.455125 3.458137 3.509624 3.582144 2.481386 8 O 2.719963 3.668086 3.841465 4.563903 3.589405 9 N 1.510434 2.538307 2.409471 4.091246 2.857976 10 C 2.599232 3.297385 3.030863 3.608509 2.458954 11 C 3.841290 4.526942 4.329010 2.405088 1.469852 12 H 1.076414 2.146239 2.061140 5.878536 4.691814 13 H 2.138553 1.087212 2.653050 7.392800 6.184989 14 H 2.156140 1.088131 3.349272 6.152310 5.025487 15 H 4.480627 5.372674 5.465452 2.498894 2.063441 16 I 3.488112 3.711654 3.219339 5.374048 4.390355 17 H 4.730752 5.302238 5.052933 2.671654 2.176503 18 H 2.185943 1.083442 2.685608 6.421377 5.256021 19 H 2.011763 3.248055 0.957216 6.427398 5.256622 6 7 8 9 10 6 N 0.000000 7 C 1.379629 0.000000 8 O 2.276171 1.241458 0.000000 9 N 2.375212 1.403023 2.318010 0.000000 10 C 2.730883 2.432584 3.580940 1.411644 0.000000 11 C 2.404632 2.828161 4.069358 2.426465 1.361686 12 H 3.759500 2.383520 2.134445 2.057084 3.390555 13 H 5.555759 4.294340 4.272154 3.454556 4.288765 14 H 4.395100 3.320063 3.421665 2.758374 3.587273 15 H 1.002459 2.026600 2.449065 3.264553 3.733086 16 I 4.857560 4.434143 5.443806 3.126296 2.128608 17 H 3.368120 3.897698 5.138653 3.408035 2.135567 18 H 5.002729 4.010081 4.476492 2.863961 3.144154 19 H 4.745608 3.637229 3.855531 2.780842 3.463453 11 12 13 14 15 11 C 0.000000 12 H 4.477494 0.000000 13 H 5.561836 2.453413 0.000000 14 H 4.615891 2.471210 1.769556 0.000000 15 H 3.320930 4.321030 6.242577 5.026426 0.000000 16 I 2.975362 4.530892 4.475799 4.357641 5.860008 17 H 1.069901 5.456990 6.332695 5.436817 4.205682 18 H 4.365566 3.060907 1.758913 1.772157 5.847811 19 H 4.632051 2.264931 3.413238 4.099551 5.475488 16 17 18 19 16 I 0.000000 17 H 3.019782 0.000000 18 H 3.012795 4.960478 0.000000 19 H 3.832418 5.375835 3.627873 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.134595 2.135460 -0.081756 2 6 0 0.498412 2.505408 1.262655 3 8 0 0.865414 2.155816 -1.094970 4 8 0 -3.095762 -2.609104 0.087114 5 6 0 -2.370693 -1.610569 0.042889 6 7 0 -2.924555 -0.329653 -0.026503 7 6 0 -2.234964 0.864215 -0.076694 8 8 0 -2.847260 1.942763 -0.131894 9 7 0 -0.833667 0.796718 -0.059823 10 6 0 -0.197026 -0.461628 0.003363 11 6 0 -0.900956 -1.626215 0.052422 12 1 0 -0.917502 2.836064 -0.316015 13 1 0 0.901681 3.512067 1.184929 14 1 0 -0.261558 2.489867 2.041264 15 1 0 -3.924162 -0.254761 -0.036551 16 53 0 1.920135 -0.682054 -0.000346 17 1 0 -0.424240 -2.583190 0.092777 18 1 0 1.305976 1.836413 1.534930 19 1 0 0.520006 2.287123 -1.977985 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8327721 0.4600016 0.3151336 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 376.9847443188 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.67D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 0.000324 -0.000005 -0.000001 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) = -114.399487006 A.U. after 12 cycles NFock= 12 Conv=0.30D-08 -V/T= 2.3644 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 0.000016048 0.000154211 0.000044360 2 6 -0.000025672 0.000001547 -0.000011876 3 8 0.000016787 -0.000227553 0.000008544 4 8 0.000004569 0.000019546 -0.000000614 5 6 -0.000006639 -0.000031134 -0.000015954 6 7 0.000024873 0.000014272 -0.000004991 7 6 0.000031381 0.000064273 -0.000093388 8 8 -0.000053784 0.000059360 0.000013213 9 7 -0.000050374 -0.000002010 0.000097887 10 6 0.000022669 -0.000001571 -0.000027110 11 6 -0.000022688 0.000008333 0.000002439 12 1 0.000014405 -0.000054385 -0.000001105 13 1 0.000020552 -0.000005232 -0.000006033 14 1 0.000008141 -0.000005008 0.000013372 15 1 -0.000004425 0.000006638 0.000002848 16 53 0.000011781 -0.000005292 -0.000002796 17 1 -0.000009343 -0.000004362 0.000015262 18 1 -0.000010912 0.000007909 0.000007769 19 1 0.000012629 0.000000457 -0.000041828 ------------------------------------------------------------------- Cartesian Forces: Max 0.000227553 RMS 0.000046361 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000226114 RMS 0.000041133 Search for a local minimum. Step number 26 out of a maximum of 102 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 17 19 20 21 22 23 24 25 26 DE= -1.20D-06 DEPred=-6.37D-07 R= 1.89D+00 TightC=F SS= 1.41D+00 RLast= 1.98D-02 DXNew= 2.0491D+00 5.9320D-02 Trust test= 1.89D+00 RLast= 1.98D-02 DXMaxT set to 1.22D+00 ITU= 1 1 1 1 1 1 1 1 -1 0 0 1 1 1 1 1 1 0 1 1 ITU= 1 0 1 1 0 0 Eigenvalues --- 0.00201 0.00231 0.00448 0.00996 0.01778 Eigenvalues --- 0.01900 0.01929 0.02231 0.02581 0.04331 Eigenvalues --- 0.05358 0.05484 0.05762 0.05966 0.06281 Eigenvalues --- 0.06698 0.09118 0.14199 0.15311 0.16020 Eigenvalues --- 0.16043 0.16304 0.16738 0.18034 0.19504 Eigenvalues --- 0.22714 0.23507 0.23742 0.24984 0.25229 Eigenvalues --- 0.25722 0.29390 0.31903 0.33588 0.34966 Eigenvalues --- 0.35395 0.35788 0.35899 0.38422 0.42426 Eigenvalues --- 0.43029 0.43563 0.46453 0.48171 0.49829 Eigenvalues --- 0.55260 0.58550 0.62628 0.88801 0.89932 Eigenvalues --- 1.03527 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 26 25 24 23 22 21 20 RFO step: Lambda=-6.65745096D-07. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 7 DidBck=F Rises=F RFO-DIIS coefs: 1.95226 -1.07436 -0.18659 0.38295 -0.07426 RFO-DIIS coefs: 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00296266 RMS(Int)= 0.00000293 Iteration 2 RMS(Cart)= 0.00000505 RMS(Int)= 0.00000026 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000026 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89381 0.00000 -0.00007 0.00003 -0.00005 2.89377 R2 2.69048 0.00023 0.00029 0.00011 0.00040 2.69088 R3 2.85431 0.00011 0.00058 -0.00016 0.00042 2.85472 R4 2.03413 -0.00002 -0.00009 0.00009 0.00000 2.03413 R5 2.05453 0.00002 -0.00002 0.00006 0.00003 2.05457 R6 2.05627 -0.00000 -0.00003 0.00001 -0.00003 2.05624 R7 2.04741 0.00001 -0.00001 0.00005 0.00004 2.04745 R8 1.80888 0.00004 -0.00023 0.00029 0.00006 1.80894 R9 2.33345 0.00001 0.00005 -0.00003 0.00002 2.33347 R10 2.64043 0.00001 -0.00003 0.00003 -0.00000 2.64043 R11 2.77762 0.00001 -0.00000 0.00002 0.00002 2.77764 R12 2.60712 -0.00000 0.00007 -0.00007 0.00000 2.60712 R13 1.89437 0.00000 -0.00011 0.00012 0.00001 1.89438 R14 2.34602 -0.00003 0.00005 -0.00006 -0.00002 2.34600 R15 2.65133 0.00015 0.00012 0.00004 0.00015 2.65148 R16 2.66762 -0.00001 -0.00002 0.00002 -0.00001 2.66761 R17 2.57321 0.00002 0.00011 -0.00005 0.00006 2.57327 R18 4.02249 0.00000 0.00010 -0.00004 0.00005 4.02254 R19 2.02182 0.00001 0.00005 -0.00001 0.00004 2.02186 A1 1.90815 -0.00003 -0.00004 0.00004 0.00000 1.90815 A2 1.97435 -0.00002 -0.00015 -0.00004 -0.00020 1.97416 A3 1.91185 0.00001 0.00026 -0.00009 0.00017 1.91202 A4 1.92633 0.00004 0.00004 -0.00007 -0.00003 1.92630 A5 1.92482 -0.00002 -0.00020 0.00004 -0.00016 1.92466 A6 1.81668 0.00002 0.00009 0.00013 0.00022 1.81690 A7 1.89046 -0.00002 0.00016 -0.00017 -0.00001 1.89045 A8 1.91351 0.00002 -0.00013 0.00016 0.00003 1.91354 A9 1.96013 0.00001 -0.00003 -0.00003 -0.00006 1.96007 A10 1.90016 -0.00001 -0.00005 0.00002 -0.00003 1.90013 A11 1.88937 0.00001 0.00006 0.00006 0.00012 1.88949 A12 1.90915 -0.00001 -0.00000 -0.00004 -0.00005 1.90911 A13 1.98778 -0.00001 -0.00010 0.00010 -0.00000 1.98777 A14 2.10638 -0.00002 0.00011 -0.00020 -0.00008 2.10630 A15 2.18745 0.00001 -0.00006 0.00010 0.00004 2.18749 A16 1.98935 0.00001 -0.00005 0.00010 0.00004 1.98940 A17 2.21052 0.00001 0.00003 -0.00005 -0.00002 2.21051 A18 2.05358 -0.00001 -0.00002 0.00005 0.00003 2.05361 A19 2.01906 -0.00000 -0.00001 0.00000 -0.00001 2.01905 A20 2.10237 -0.00007 -0.00010 0.00000 -0.00010 2.10228 A21 2.04559 -0.00001 0.00005 -0.00002 0.00003 2.04562 A22 2.13522 0.00008 0.00005 0.00002 0.00007 2.13529 A23 2.00363 0.00015 0.00003 0.00001 0.00004 2.00367 A24 2.19198 -0.00011 0.00010 -0.00006 0.00004 2.19202 A25 2.08732 -0.00004 -0.00011 0.00005 -0.00006 2.08726 A26 2.13040 0.00004 0.00005 -0.00000 0.00005 2.13044 A27 2.14218 -0.00004 0.00008 0.00001 0.00008 2.14227 A28 2.01050 0.00000 -0.00011 -0.00000 -0.00011 2.01039 A29 2.10317 -0.00001 0.00004 -0.00007 -0.00003 2.10314 A30 2.04351 0.00001 -0.00003 0.00010 0.00007 2.04358 A31 2.13649 -0.00000 -0.00000 -0.00003 -0.00004 2.13646 D1 1.07185 -0.00002 -0.00177 0.00000 -0.00177 1.07008 D2 -3.14007 -0.00002 -0.00181 0.00002 -0.00179 3.14132 D3 -1.01382 -0.00002 -0.00193 0.00006 -0.00188 -1.01570 D4 -3.05713 -0.00000 -0.00185 -0.00009 -0.00195 -3.05907 D5 -0.98586 -0.00001 -0.00189 -0.00007 -0.00197 -0.98783 D6 1.14039 -0.00000 -0.00201 -0.00004 -0.00205 1.13834 D7 -1.03918 0.00002 -0.00167 -0.00001 -0.00168 -1.04085 D8 1.03209 0.00001 -0.00171 0.00001 -0.00170 1.03039 D9 -3.12485 0.00001 -0.00183 0.00004 -0.00178 -3.12663 D10 -2.73326 -0.00000 0.00012 -0.00012 0.00001 -2.73326 D11 1.36756 0.00002 0.00031 -0.00004 0.00028 1.36783 D12 -0.63015 -0.00002 0.00030 -0.00018 0.00012 -0.63003 D13 1.87125 -0.00000 -0.00267 0.00002 -0.00265 1.86860 D14 -1.24563 -0.00001 -0.00347 -0.00016 -0.00363 -1.24926 D15 -2.26778 -0.00003 -0.00279 -0.00002 -0.00281 -2.27059 D16 0.89853 -0.00003 -0.00360 -0.00020 -0.00379 0.89473 D17 -0.20263 -0.00001 -0.00296 0.00006 -0.00290 -0.20553 D18 2.96367 -0.00002 -0.00376 -0.00012 -0.00388 2.95979 D19 3.13780 -0.00001 0.00102 -0.00023 0.00079 3.13860 D20 0.00254 0.00000 0.00087 -0.00002 0.00084 0.00339 D21 -0.00661 0.00001 0.00166 -0.00022 0.00144 -0.00517 D22 3.14131 0.00001 0.00150 -0.00001 0.00149 -3.14038 D23 -3.13873 0.00001 -0.00106 0.00019 -0.00087 -3.13960 D24 0.00946 0.00000 -0.00175 0.00017 -0.00159 0.00787 D25 0.00584 -0.00001 -0.00173 0.00018 -0.00155 0.00429 D26 -3.12916 -0.00001 -0.00242 0.00015 -0.00227 -3.13143 D27 -3.13694 0.00002 0.00023 0.00025 0.00048 -3.13646 D28 0.00262 -0.00000 0.00044 0.00011 0.00055 0.00317 D29 -0.00157 0.00001 0.00039 0.00004 0.00043 -0.00114 D30 3.13799 -0.00001 0.00060 -0.00010 0.00050 3.13849 D31 -3.11604 -0.00000 -0.00329 -0.00012 -0.00341 -3.11945 D32 0.00244 0.00000 -0.00253 0.00004 -0.00249 -0.00005 D33 0.02348 -0.00003 -0.00307 -0.00027 -0.00334 0.02014 D34 -3.14123 -0.00002 -0.00232 -0.00010 -0.00242 3.13954 D35 3.11291 0.00001 0.00332 0.00012 0.00343 3.11634 D36 -0.04508 0.00000 0.00470 0.00002 0.00472 -0.04036 D37 -0.00289 -0.00000 0.00247 -0.00007 0.00241 -0.00048 D38 3.12231 -0.00001 0.00386 -0.00017 0.00369 3.12600 D39 -0.00150 0.00001 -0.00023 -0.00005 -0.00028 -0.00178 D40 3.13314 0.00001 0.00050 -0.00002 0.00048 3.13362 D41 -3.12785 0.00001 -0.00152 0.00004 -0.00147 -3.12933 D42 0.00679 0.00001 -0.00079 0.00007 -0.00071 0.00607 Item Value Threshold Converged? Maximum Force 0.000226 0.000450 YES RMS Force 0.000041 0.000300 YES Maximum Displacement 0.012668 0.001800 NO RMS Displacement 0.002963 0.001200 NO Predicted change in Energy=-2.851305D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.078404 -4.975161 2.196374 2 6 0 7.223496 -4.952751 3.720635 3 8 0 7.091923 -6.324410 1.741426 4 8 0 2.721552 -2.003306 0.326130 5 6 0 3.627411 -2.722668 0.758235 6 7 0 4.963618 -2.328636 0.650483 7 6 0 6.067124 -3.029826 1.090921 8 8 0 7.208755 -2.566185 0.939562 9 7 0 5.835675 -4.268226 1.708578 10 6 0 4.512634 -4.738900 1.852641 11 6 0 3.439771 -4.026897 1.409601 12 1 0 7.886905 -4.422694 1.749412 13 1 0 8.177840 -5.404633 3.979670 14 1 0 7.214048 -3.923578 4.073781 15 1 0 5.154939 -1.446021 0.215372 16 53 0 4.048617 -6.613565 2.747857 17 1 0 2.435297 -4.381569 1.509498 18 1 0 6.438072 -5.510366 4.216688 19 1 0 7.357920 -6.422608 0.827136 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531315 0.000000 3 O 1.423951 2.411644 0.000000 4 O 5.595703 6.363128 6.306755 0.000000 5 C 4.364781 5.165357 5.093334 1.234820 0.000000 6 N 3.723734 4.628052 4.656829 2.288647 1.397254 7 C 2.455411 3.456911 3.511077 3.582108 2.481375 8 O 2.720245 3.664735 3.844593 4.563784 3.589344 9 N 1.510654 2.538306 2.409799 4.091307 2.858029 10 C 2.599451 3.299077 3.029677 3.608558 2.458970 11 C 3.841597 4.529312 4.327458 2.405134 1.469864 12 H 1.076415 2.146344 2.061210 5.878779 4.692100 13 H 2.138539 1.087230 2.652346 7.395165 6.186839 14 H 2.156126 1.088117 3.349446 6.157504 5.029810 15 H 4.480950 5.372425 5.466209 2.498842 2.063461 16 I 3.488282 3.712743 3.218420 5.374045 4.390340 17 H 4.731024 5.304925 5.050999 2.671785 2.176576 18 H 2.185895 1.083464 2.686468 6.422495 5.256612 19 H 2.011976 3.248213 0.957248 6.424730 5.254616 6 7 8 9 10 6 N 0.000000 7 C 1.379630 0.000000 8 O 2.276102 1.241449 0.000000 9 N 2.375302 1.403105 2.318119 0.000000 10 C 2.730924 2.432610 3.580988 1.411639 0.000000 11 C 2.404675 2.828196 4.069381 2.426517 1.361715 12 H 3.760097 2.384386 2.135970 2.057443 3.390626 13 H 5.556660 4.294148 4.270617 3.454709 4.289661 14 H 4.396276 3.318386 3.415534 2.759145 3.591079 15 H 1.002465 2.026599 2.448955 3.264645 3.733130 16 I 4.857656 4.434298 5.444051 3.126387 2.128637 17 H 3.368211 3.897766 5.138711 3.408086 2.135594 18 H 5.001524 4.007631 4.472327 2.862938 3.145026 19 H 4.745998 3.639602 3.860943 2.781282 3.461529 11 12 13 14 15 11 C 0.000000 12 H 4.477625 0.000000 13 H 5.563516 2.454160 0.000000 14 H 4.621006 2.470738 1.769541 0.000000 15 H 3.320980 4.321747 6.243275 5.026484 0.000000 16 I 2.975311 4.530923 4.475418 4.360511 5.860115 17 H 1.069924 5.457039 6.334446 5.442588 4.205789 18 H 4.366948 3.060980 1.759020 1.772133 5.846013 19 H 4.629319 2.264966 3.412772 4.099580 5.476659 16 17 18 19 16 I 0.000000 17 H 3.019626 0.000000 18 H 3.013969 4.962385 0.000000 19 H 3.831074 5.372492 3.628688 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.134478 2.135558 -0.085305 2 6 0 0.498066 2.508717 1.258408 3 8 0 0.866090 2.153128 -1.098315 4 8 0 -3.095761 -2.609339 0.083970 5 6 0 -2.370680 -1.610732 0.041303 6 7 0 -2.924649 -0.329703 -0.025047 7 6 0 -2.235118 0.864246 -0.074131 8 8 0 -2.847583 1.942850 -0.126045 9 7 0 -0.833709 0.796709 -0.060075 10 6 0 -0.197053 -0.461660 0.002392 11 6 0 -0.900929 -1.626349 0.050638 12 1 0 -0.917090 2.835727 -0.321841 13 1 0 0.903215 3.514409 1.177751 14 1 0 -0.262553 2.497096 2.036432 15 1 0 -3.924274 -0.254773 -0.033486 16 53 0 1.920138 -0.682101 0.001089 17 1 0 -0.424111 -2.583304 0.090876 18 1 0 1.304135 1.839047 1.533526 19 1 0 0.521057 2.282314 -1.981823 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8327248 0.4600041 0.3151017 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 376.9727684243 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.67D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000243 0.000025 0.000006 Ang= 0.03 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -114.399487472 A.U. after 11 cycles NFock= 11 Conv=0.83D-08 -V/T= 2.3644 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.000059358 0.000068863 0.000007365 2 6 0.000006376 -0.000012120 -0.000007282 3 8 -0.000007440 -0.000064708 0.000016435 4 8 -0.000002861 0.000006028 0.000002018 5 6 -0.000018638 -0.000006444 -0.000002353 6 7 0.000010261 -0.000014089 0.000005405 7 6 0.000033205 0.000037101 -0.000043903 8 8 -0.000025019 -0.000015322 0.000021787 9 7 0.000024714 -0.000001924 0.000024167 10 6 -0.000000471 -0.000006294 -0.000002244 11 6 -0.000000318 0.000011708 -0.000004413 12 1 0.000009250 -0.000008869 -0.000002838 13 1 0.000007423 -0.000002936 -0.000000237 14 1 -0.000001336 0.000000560 -0.000000880 15 1 -0.000007899 -0.000000808 0.000001227 16 53 0.000020894 -0.000002213 -0.000004158 17 1 0.000009059 0.000002517 0.000000839 18 1 -0.000003030 0.000002369 -0.000000129 19 1 0.000005187 0.000006582 -0.000010806 ------------------------------------------------------------------- Cartesian Forces: Max 0.000068863 RMS 0.000019666 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000057748 RMS 0.000014349 Search for a local minimum. Step number 27 out of a maximum of 102 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 17 19 20 21 22 23 24 25 26 27 DE= -4.66D-07 DEPred=-2.85D-07 R= 1.63D+00 Trust test= 1.63D+00 RLast= 1.44D-02 DXMaxT set to 1.22D+00 ITU= 0 1 1 1 1 1 1 1 1 -1 0 0 1 1 1 1 1 1 0 1 ITU= 1 1 0 1 1 0 0 Eigenvalues --- 0.00190 0.00219 0.00451 0.00998 0.01792 Eigenvalues --- 0.01886 0.01929 0.02225 0.02525 0.04293 Eigenvalues --- 0.05355 0.05584 0.05667 0.06010 0.06117 Eigenvalues --- 0.06672 0.09202 0.14184 0.15263 0.16016 Eigenvalues --- 0.16039 0.16317 0.16555 0.17673 0.19187 Eigenvalues --- 0.22892 0.23511 0.23582 0.25051 0.25196 Eigenvalues --- 0.25591 0.29547 0.31940 0.33545 0.34969 Eigenvalues --- 0.35394 0.35726 0.35920 0.38274 0.42346 Eigenvalues --- 0.43021 0.43199 0.45921 0.47953 0.49300 Eigenvalues --- 0.51617 0.56522 0.63849 0.88671 0.88927 Eigenvalues --- 1.02250 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 27 26 25 24 23 22 21 20 RFO step: Lambda=-5.97361009D-08. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. RFO-DIIS uses 3 points instead of 8 DidBck=F Rises=F RFO-DIIS coefs: 1.30319 -0.41035 0.10716 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00047877 RMS(Int)= 0.00000013 Iteration 2 RMS(Cart)= 0.00000014 RMS(Int)= 0.00000007 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89377 -0.00001 -0.00000 -0.00002 -0.00002 2.89374 R2 2.69088 0.00005 0.00013 0.00003 0.00016 2.69104 R3 2.85472 -0.00003 0.00004 -0.00011 -0.00007 2.85465 R4 2.03413 0.00000 0.00001 -0.00000 0.00000 2.03413 R5 2.05457 0.00001 0.00002 -0.00000 0.00001 2.05458 R6 2.05624 0.00000 -0.00000 -0.00000 -0.00000 2.05624 R7 2.04745 0.00000 0.00001 -0.00000 0.00001 2.04746 R8 1.80894 0.00001 0.00005 -0.00009 -0.00004 1.80890 R9 2.33347 0.00000 0.00000 0.00001 0.00001 2.33348 R10 2.64043 0.00002 0.00001 0.00003 0.00004 2.64046 R11 2.77764 -0.00001 0.00000 -0.00002 -0.00002 2.77762 R12 2.60712 0.00001 -0.00001 0.00002 0.00001 2.60713 R13 1.89438 -0.00000 0.00001 -0.00003 -0.00002 1.89436 R14 2.34600 -0.00003 -0.00002 -0.00001 -0.00003 2.34597 R15 2.65148 0.00002 0.00006 -0.00002 0.00004 2.65153 R16 2.66761 -0.00003 0.00001 -0.00003 -0.00002 2.66759 R17 2.57327 0.00000 0.00001 0.00001 0.00002 2.57329 R18 4.02254 -0.00000 0.00002 -0.00000 0.00002 4.02256 R19 2.02186 -0.00001 0.00001 -0.00002 -0.00001 2.02185 A1 1.90815 -0.00002 -0.00003 -0.00004 -0.00007 1.90808 A2 1.97416 0.00002 -0.00002 0.00007 0.00005 1.97421 A3 1.91202 -0.00000 0.00003 -0.00003 0.00000 1.91202 A4 1.92630 0.00000 0.00001 0.00005 0.00006 1.92636 A5 1.92466 0.00000 -0.00008 -0.00001 -0.00009 1.92457 A6 1.81690 0.00000 0.00009 -0.00004 0.00006 1.81696 A7 1.89045 -0.00000 -0.00002 0.00004 0.00002 1.89047 A8 1.91354 -0.00000 0.00002 -0.00006 -0.00004 1.91350 A9 1.96007 -0.00000 0.00000 -0.00002 -0.00002 1.96005 A10 1.90013 0.00000 -0.00000 0.00002 0.00002 1.90015 A11 1.88949 0.00000 0.00003 0.00001 0.00004 1.88953 A12 1.90911 -0.00000 -0.00002 -0.00000 -0.00002 1.90908 A13 1.98777 -0.00001 -0.00002 -0.00005 -0.00007 1.98770 A14 2.10630 0.00000 -0.00004 0.00005 0.00001 2.10631 A15 2.18749 0.00000 0.00003 -0.00001 0.00002 2.18751 A16 1.98940 -0.00001 0.00001 -0.00004 -0.00003 1.98937 A17 2.21051 0.00001 0.00000 0.00004 0.00004 2.21055 A18 2.05361 -0.00001 -0.00000 -0.00007 -0.00007 2.05354 A19 2.01905 0.00000 -0.00000 0.00003 0.00003 2.01908 A20 2.10228 0.00002 -0.00002 0.00013 0.00011 2.10238 A21 2.04562 -0.00002 -0.00000 -0.00004 -0.00004 2.04557 A22 2.13529 -0.00001 0.00003 -0.00009 -0.00006 2.13523 A23 2.00367 0.00005 0.00003 0.00002 0.00005 2.00372 A24 2.19202 -0.00006 -0.00001 -0.00005 -0.00006 2.19196 A25 2.08726 0.00001 -0.00002 0.00003 0.00001 2.08728 A26 2.13044 0.00001 0.00002 -0.00001 0.00000 2.13044 A27 2.14227 -0.00004 0.00002 -0.00005 -0.00003 2.14223 A28 2.01039 0.00004 -0.00003 0.00006 0.00003 2.01042 A29 2.10314 -0.00000 -0.00001 0.00003 0.00001 2.10315 A30 2.04358 0.00000 0.00003 -0.00002 0.00001 2.04358 A31 2.13646 -0.00000 -0.00002 -0.00000 -0.00002 2.13644 D1 1.07008 -0.00000 -0.00045 -0.00001 -0.00046 1.06962 D2 3.14132 -0.00000 -0.00046 0.00001 -0.00044 3.14088 D3 -1.01570 -0.00000 -0.00047 -0.00004 -0.00051 -1.01621 D4 -3.05907 -0.00000 -0.00047 0.00007 -0.00040 -3.05947 D5 -0.98783 -0.00000 -0.00048 0.00009 -0.00038 -0.98821 D6 1.13834 -0.00001 -0.00049 0.00004 -0.00045 1.13788 D7 -1.04085 0.00001 -0.00035 0.00005 -0.00030 -1.04115 D8 1.03039 0.00001 -0.00035 0.00007 -0.00028 1.03011 D9 -3.12663 0.00000 -0.00037 0.00002 -0.00035 -3.12698 D10 -2.73326 0.00001 0.00008 0.00042 0.00050 -2.73276 D11 1.36783 0.00000 0.00012 0.00033 0.00044 1.36827 D12 -0.63003 -0.00001 0.00004 0.00035 0.00039 -0.62963 D13 1.86860 0.00000 -0.00039 -0.00009 -0.00048 1.86812 D14 -1.24926 -0.00000 -0.00060 -0.00011 -0.00071 -1.24998 D15 -2.27059 -0.00001 -0.00043 -0.00006 -0.00050 -2.27109 D16 0.89473 -0.00002 -0.00065 -0.00008 -0.00073 0.89400 D17 -0.20553 -0.00001 -0.00047 -0.00007 -0.00054 -0.20607 D18 2.95979 -0.00001 -0.00069 -0.00008 -0.00077 2.95902 D19 3.13860 -0.00000 0.00003 -0.00010 -0.00007 3.13853 D20 0.00339 0.00000 0.00011 -0.00000 0.00011 0.00350 D21 -0.00517 -0.00000 0.00014 -0.00011 0.00002 -0.00515 D22 -3.14038 0.00000 0.00022 -0.00002 0.00021 -3.14017 D23 -3.13960 0.00000 -0.00009 0.00008 -0.00001 -3.13960 D24 0.00787 0.00000 -0.00018 0.00007 -0.00011 0.00776 D25 0.00429 0.00000 -0.00020 0.00010 -0.00011 0.00418 D26 -3.13143 0.00000 -0.00029 0.00008 -0.00021 -3.13164 D27 -3.13646 0.00001 0.00015 0.00013 0.00028 -3.13618 D28 0.00317 -0.00000 0.00012 0.00005 0.00017 0.00334 D29 -0.00114 0.00001 0.00007 0.00003 0.00010 -0.00104 D30 3.13849 -0.00001 0.00003 -0.00005 -0.00001 3.13848 D31 -3.11945 0.00000 -0.00052 0.00002 -0.00049 -3.11994 D32 -0.00005 0.00000 -0.00031 0.00004 -0.00028 -0.00033 D33 0.02014 -0.00001 -0.00055 -0.00005 -0.00061 0.01953 D34 3.13954 -0.00001 -0.00035 -0.00004 -0.00039 3.13915 D35 3.11634 -0.00000 0.00048 -0.00003 0.00045 3.11679 D36 -0.04036 -0.00000 0.00068 -0.00003 0.00065 -0.03972 D37 -0.00048 -0.00000 0.00026 -0.00005 0.00021 -0.00027 D38 3.12600 -0.00001 0.00045 -0.00005 0.00041 3.12640 D39 -0.00178 0.00000 0.00002 -0.00002 -0.00001 -0.00179 D40 3.13362 0.00000 0.00011 -0.00001 0.00010 3.13372 D41 -3.12933 0.00000 -0.00017 -0.00003 -0.00019 -3.12952 D42 0.00607 0.00001 -0.00007 -0.00001 -0.00008 0.00599 Item Value Threshold Converged? Maximum Force 0.000058 0.000450 YES RMS Force 0.000014 0.000300 YES Maximum Displacement 0.002069 0.001800 NO RMS Displacement 0.000479 0.001200 YES Predicted change in Energy=-2.929958D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.078279 -4.975218 2.196314 2 6 0 7.223817 -4.952649 3.720516 3 8 0 7.091464 -6.324641 1.741595 4 8 0 2.721500 -2.003514 0.325658 5 6 0 3.627349 -2.722784 0.757953 6 7 0 4.963547 -2.328545 0.650616 7 6 0 6.067059 -3.029543 1.091352 8 8 0 7.208664 -2.565666 0.940656 9 7 0 5.835615 -4.268109 1.708731 10 6 0 4.512605 -4.738928 1.852513 11 6 0 3.439743 -4.027037 1.409256 12 1 0 7.886828 -4.423068 1.749043 13 1 0 8.177959 -5.405076 3.979378 14 1 0 7.215081 -3.923402 4.073459 15 1 0 5.154790 -1.445816 0.215724 16 53 0 4.048656 -6.613518 2.747944 17 1 0 2.435296 -4.381800 1.509033 18 1 0 6.438150 -5.509662 4.216872 19 1 0 7.357599 -6.423024 0.827387 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531302 0.000000 3 O 1.424038 2.411640 0.000000 4 O 5.595704 6.363436 6.306631 0.000000 5 C 4.364775 5.165623 5.093232 1.234824 0.000000 6 N 3.723729 4.628070 4.656935 2.288671 1.397273 7 C 2.455434 3.456722 3.511394 3.582149 2.481420 8 O 2.720224 3.664088 3.845144 4.563867 3.589414 9 N 1.510615 2.538303 2.409888 4.091331 2.858049 10 C 2.599369 3.299361 3.029406 3.608578 2.458979 11 C 3.841543 4.529668 4.327180 2.405141 1.469853 12 H 1.076417 2.146333 2.061223 5.878851 4.692163 13 H 2.138549 1.087238 2.652120 7.395487 6.187109 14 H 2.156086 1.088115 3.349450 6.158267 5.030496 15 H 4.480985 5.372367 5.466435 2.498802 2.063428 16 I 3.488113 3.712953 3.217897 5.374100 4.390373 17 H 4.730940 5.305324 5.050605 2.671804 2.176567 18 H 2.185876 1.083469 2.686635 6.422469 5.256559 19 H 2.011995 3.248092 0.957228 6.424735 5.254652 6 7 8 9 10 6 N 0.000000 7 C 1.379633 0.000000 8 O 2.276160 1.241432 0.000000 9 N 2.375293 1.403128 2.318084 0.000000 10 C 2.730907 2.432631 3.580962 1.411630 0.000000 11 C 2.404660 2.828223 4.069393 2.426520 1.361726 12 H 3.760205 2.384539 2.136197 2.057454 3.390555 13 H 5.556810 4.294152 4.270317 3.454723 4.289770 14 H 4.396457 3.318117 3.414373 2.759292 3.591805 15 H 1.002454 2.026611 2.449080 3.264648 3.733104 16 I 4.857654 4.434312 5.443991 3.126360 2.128645 17 H 3.368203 3.897790 5.138720 3.408075 2.135587 18 H 5.001214 4.007190 4.471510 2.862739 3.145147 19 H 4.746314 3.640176 3.861894 2.781522 3.461367 11 12 13 14 15 11 C 0.000000 12 H 4.477595 0.000000 13 H 5.563740 2.454280 0.000000 14 H 4.621893 2.470591 1.769559 0.000000 15 H 3.320934 4.321936 6.243427 5.026465 0.000000 16 I 2.975356 4.530721 4.475254 4.361188 5.860103 17 H 1.069919 5.456970 6.334657 5.443598 4.205746 18 H 4.367073 3.060970 1.759056 1.772121 5.845601 19 H 4.629138 2.264809 3.412368 4.099440 5.477143 16 17 18 19 16 I 0.000000 17 H 3.019668 0.000000 18 H 3.014287 4.962590 0.000000 19 H 3.830657 5.372179 3.628806 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.134294 2.135437 -0.085797 2 6 0 0.498006 2.509191 1.257851 3 8 0 0.866608 2.152490 -1.098609 4 8 0 -3.095960 -2.609214 0.083686 5 6 0 -2.370807 -1.610651 0.041098 6 7 0 -2.924688 -0.329551 -0.025018 7 6 0 -2.235114 0.864386 -0.073917 8 8 0 -2.847420 1.943084 -0.125331 9 7 0 -0.833686 0.796726 -0.060119 10 6 0 -0.197115 -0.461681 0.002257 11 6 0 -0.901067 -1.626338 0.050421 12 1 0 -0.916708 2.835640 -0.322897 13 1 0 0.903658 3.514646 1.176671 14 1 0 -0.262883 2.498415 2.035621 15 1 0 -3.924303 -0.254605 -0.033253 16 53 0 1.920080 -0.682169 0.001287 17 1 0 -0.424291 -2.583308 0.090681 18 1 0 1.303644 1.839284 1.533673 19 1 0 0.521803 2.281717 -1.982179 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8327458 0.4600080 0.3151015 Standard basis: CEP-31G (6D, 10F) There are 110 symmetry adapted cartesian basis functions of A symmetry. There are 110 symmetry adapted basis functions of A symmetry. 110 basis functions, 224 primitive gaussians, 110 cartesian basis functions 33 alpha electrons 33 beta electrons nuclear repulsion energy 376.9721686844 Hartrees. NAtoms= 19 NActive= 19 NUniq= 19 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 110 RedAO= T EigKep= 6.67D-04 NBF= 110 NBsUse= 110 1.00D-06 EigRej= -1.00D+00 NBFU= 110 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 0.000041 0.000015 0.000032 Ang= 0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -114.399487510 A.U. after 9 cycles NFock= 9 Conv=0.56D-08 -V/T= 2.3644 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3063 LenC2= 741 LenP2D= 2612. LDataN: DoStor=T MaxTD1= 5 Len= 102 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 -0.000022636 0.000017757 -0.000003194 2 6 0.000001357 -0.000001082 -0.000000407 3 8 -0.000019575 -0.000001120 0.000037565 4 8 0.000007703 0.000000865 0.000002146 5 6 -0.000008205 -0.000007437 0.000002947 6 7 0.000007207 -0.000008504 0.000001572 7 6 0.000015880 0.000012727 -0.000005150 8 8 -0.000018542 -0.000006218 0.000003102 9 7 0.000012585 -0.000013389 0.000002312 10 6 -0.000008957 -0.000002358 0.000000846 11 6 0.000002978 -0.000000017 0.000000623 12 1 0.000007737 -0.000000779 -0.000000789 13 1 0.000000061 0.000000167 -0.000001848 14 1 -0.000000662 0.000000951 0.000002471 15 1 0.000000217 0.000007987 -0.000003892 16 53 0.000010738 0.000002563 -0.000003076 17 1 0.000005024 0.000000198 -0.000000378 18 1 -0.000000956 -0.000000596 0.000000374 19 1 0.000008048 -0.000001715 -0.000035225 ------------------------------------------------------------------- Cartesian Forces: Max 0.000037565 RMS 0.000010129 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000036056 RMS 0.000007665 Search for a local minimum. Step number 28 out of a maximum of 102 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 17 19 20 21 22 23 24 25 26 27 28 DE= -3.74D-08 DEPred=-2.93D-08 R= 1.28D+00 Trust test= 1.28D+00 RLast= 2.56D-03 DXMaxT set to 1.22D+00 ITU= 0 0 1 1 1 1 1 1 1 1 -1 0 0 1 1 1 1 1 1 0 ITU= 1 1 1 0 1 1 0 0 Eigenvalues --- 0.00193 0.00222 0.00448 0.00995 0.01684 Eigenvalues --- 0.01875 0.01929 0.02223 0.02504 0.04243 Eigenvalues --- 0.05373 0.05533 0.05624 0.06009 0.06046 Eigenvalues --- 0.06689 0.08959 0.14211 0.15356 0.15741 Eigenvalues --- 0.16037 0.16307 0.16466 0.17515 0.19130 Eigenvalues --- 0.22582 0.23626 0.23701 0.24842 0.25168 Eigenvalues --- 0.25762 0.30479 0.32028 0.33235 0.34947 Eigenvalues --- 0.35345 0.35516 0.36213 0.38353 0.42595 Eigenvalues --- 0.43018 0.44038 0.45946 0.47850 0.49013 Eigenvalues --- 0.51331 0.56776 0.65891 0.81035 0.89003 Eigenvalues --- 0.95974 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 28 27 26 25 24 23 22 21 20 RFO step: Lambda=-9.40442676D-09. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. RFO-DIIS uses 3 points instead of 9 DidBck=F Rises=F RFO-DIIS coefs: 0.99015 0.02856 -0.01871 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00009908 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89374 0.00000 -0.00000 0.00001 0.00001 2.89375 R2 2.69104 0.00000 0.00001 0.00003 0.00004 2.69108 R3 2.85465 -0.00003 0.00001 -0.00008 -0.00007 2.85458 R4 2.03413 0.00001 -0.00000 0.00001 0.00001 2.03414 R5 2.05458 -0.00000 0.00000 -0.00000 -0.00000 2.05458 R6 2.05624 0.00000 -0.00000 0.00000 0.00000 2.05624 R7 2.04746 0.00000 0.00000 0.00000 0.00000 2.04746 R8 1.80890 0.00004 0.00000 0.00007 0.00007 1.80897 R9 2.33348 -0.00001 0.00000 -0.00001 -0.00001 2.33347 R10 2.64046 0.00000 -0.00000 0.00001 0.00001 2.64048 R11 2.77762 -0.00000 0.00000 -0.00001 -0.00001 2.77761 R12 2.60713 -0.00001 -0.00000 -0.00002 -0.00002 2.60711 R13 1.89436 0.00001 0.00000 0.00001 0.00001 1.89438 R14 2.34597 -0.00002 -0.00000 -0.00002 -0.00002 2.34594 R15 2.65153 0.00000 0.00000 0.00002 0.00003 2.65155 R16 2.66759 -0.00001 -0.00000 0.00000 0.00000 2.66760 R17 2.57329 -0.00001 0.00000 -0.00001 -0.00001 2.57328 R18 4.02256 -0.00001 0.00000 -0.00001 -0.00001 4.02255 R19 2.02185 -0.00000 0.00000 -0.00001 -0.00001 2.02185 A1 1.90808 0.00000 0.00000 -0.00003 -0.00003 1.90804 A2 1.97421 0.00001 -0.00000 0.00002 0.00001 1.97422 A3 1.91202 -0.00000 0.00000 0.00000 0.00000 1.91202 A4 1.92636 -0.00001 -0.00000 -0.00001 -0.00002 1.92634 A5 1.92457 0.00000 -0.00000 -0.00002 -0.00003 1.92454 A6 1.81696 0.00000 0.00000 0.00006 0.00006 1.81702 A7 1.89047 -0.00000 -0.00000 -0.00002 -0.00002 1.89046 A8 1.91350 0.00000 0.00000 0.00002 0.00003 1.91353 A9 1.96005 -0.00000 -0.00000 -0.00000 -0.00000 1.96005 A10 1.90015 0.00000 -0.00000 0.00000 -0.00000 1.90015 A11 1.88953 0.00000 0.00000 0.00001 0.00001 1.88954 A12 1.90908 -0.00000 -0.00000 -0.00001 -0.00001 1.90907 A13 1.98770 -0.00000 0.00000 -0.00003 -0.00003 1.98767 A14 2.10631 -0.00001 -0.00000 -0.00003 -0.00003 2.10627 A15 2.18751 0.00000 0.00000 0.00002 0.00002 2.18753 A16 1.98937 0.00000 0.00000 0.00001 0.00001 1.98938 A17 2.21055 -0.00000 -0.00000 0.00000 0.00000 2.21055 A18 2.05354 -0.00000 0.00000 -0.00002 -0.00002 2.05352 A19 2.01908 0.00000 -0.00000 0.00002 0.00002 2.01909 A20 2.10238 0.00000 -0.00000 0.00001 0.00000 2.10239 A21 2.04557 -0.00001 0.00000 -0.00002 -0.00002 2.04556 A22 2.13523 0.00000 0.00000 0.00001 0.00001 2.13524 A23 2.00372 0.00002 0.00000 0.00002 0.00002 2.00374 A24 2.19196 -0.00002 0.00000 -0.00003 -0.00003 2.19193 A25 2.08728 0.00001 -0.00000 0.00001 0.00001 2.08729 A26 2.13044 0.00000 0.00000 -0.00001 -0.00000 2.13044 A27 2.14223 -0.00002 0.00000 -0.00001 -0.00000 2.14223 A28 2.01042 0.00002 -0.00000 0.00001 0.00001 2.01043 A29 2.10315 -0.00000 -0.00000 -0.00000 -0.00000 2.10315 A30 2.04358 0.00000 0.00000 0.00001 0.00001 2.04360 A31 2.13644 0.00000 -0.00000 -0.00001 -0.00001 2.13642 D1 1.06962 0.00000 -0.00003 -0.00001 -0.00004 1.06958 D2 3.14088 0.00000 -0.00003 -0.00001 -0.00004 3.14085 D3 -1.01621 0.00000 -0.00003 -0.00000 -0.00003 -1.01624 D4 -3.05947 -0.00001 -0.00003 -0.00004 -0.00007 -3.05954 D5 -0.98821 -0.00001 -0.00003 -0.00004 -0.00007 -0.98828 D6 1.13788 -0.00001 -0.00003 -0.00003 -0.00007 1.13782 D7 -1.04115 0.00000 -0.00003 0.00004 0.00001 -1.04114 D8 1.03011 0.00000 -0.00003 0.00004 0.00002 1.03012 D9 -3.12698 0.00000 -0.00003 0.00005 0.00002 -3.12697 D10 -2.73276 -0.00000 -0.00000 -0.00013 -0.00013 -2.73289 D11 1.36827 -0.00000 0.00000 -0.00012 -0.00012 1.36816 D12 -0.62963 -0.00000 -0.00000 -0.00016 -0.00017 -0.62980 D13 1.86812 -0.00000 -0.00004 -0.00007 -0.00011 1.86801 D14 -1.24998 -0.00000 -0.00006 -0.00003 -0.00010 -1.25007 D15 -2.27109 -0.00000 -0.00005 -0.00011 -0.00015 -2.27124 D16 0.89400 -0.00000 -0.00006 -0.00008 -0.00014 0.89387 D17 -0.20607 -0.00000 -0.00005 -0.00011 -0.00016 -0.20623 D18 2.95902 -0.00000 -0.00006 -0.00008 -0.00014 2.95888 D19 3.13853 -0.00000 0.00002 -0.00013 -0.00011 3.13842 D20 0.00350 -0.00000 0.00001 -0.00002 -0.00000 0.00350 D21 -0.00515 -0.00000 0.00003 -0.00012 -0.00009 -0.00524 D22 -3.14017 -0.00000 0.00003 -0.00001 0.00002 -3.14016 D23 -3.13960 0.00000 -0.00002 0.00007 0.00005 -3.13955 D24 0.00776 0.00000 -0.00003 0.00008 0.00005 0.00781 D25 0.00418 0.00000 -0.00003 0.00006 0.00003 0.00422 D26 -3.13164 0.00000 -0.00004 0.00007 0.00003 -3.13161 D27 -3.13618 0.00000 0.00001 0.00010 0.00011 -3.13607 D28 0.00334 0.00000 0.00001 0.00009 0.00010 0.00343 D29 -0.00104 0.00000 0.00001 -0.00001 -0.00000 -0.00104 D30 3.13848 -0.00000 0.00001 -0.00002 -0.00001 3.13846 D31 -3.11994 0.00000 -0.00006 0.00004 -0.00002 -3.11997 D32 -0.00033 0.00000 -0.00004 0.00001 -0.00004 -0.00036 D33 0.01953 -0.00000 -0.00006 0.00002 -0.00003 0.01950 D34 3.13915 -0.00000 -0.00004 -0.00001 -0.00005 3.13910 D35 3.11679 -0.00000 0.00006 -0.00009 -0.00003 3.11676 D36 -0.03972 -0.00000 0.00008 -0.00009 -0.00000 -0.03972 D37 -0.00027 -0.00000 0.00004 -0.00006 -0.00001 -0.00029 D38 3.12640 -0.00000 0.00006 -0.00005 0.00001 3.12642 D39 -0.00179 -0.00000 -0.00001 0.00002 0.00002 -0.00177 D40 3.13372 -0.00000 0.00001 0.00001 0.00002 3.13374 D41 -3.12952 0.00000 -0.00003 0.00002 -0.00001 -3.12952 D42 0.00599 0.00000 -0.00001 0.00001 -0.00001 0.00598 Item Value Threshold Converged? Maximum Force 0.000036 0.000450 YES RMS Force 0.000008 0.000300 YES Maximum Displacement 0.000423 0.001800 YES RMS Displacement 0.000099 0.001200 YES Predicted change in Energy=-6.387728D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5313 -DE/DX = 0.0 ! ! R2 R(1,3) 1.424 -DE/DX = 0.0 ! ! R3 R(1,9) 1.5106 -DE/DX = 0.0 ! ! R4 R(1,12) 1.0764 -DE/DX = 0.0 ! ! R5 R(2,13) 1.0872 -DE/DX = 0.0 ! ! R6 R(2,14) 1.0881 -DE/DX = 0.0 ! ! R7 R(2,18) 1.0835 -DE/DX = 0.0 ! ! R8 R(3,19) 0.9572 -DE/DX = 0.0 ! ! R9 R(4,5) 1.2348 -DE/DX = 0.0 ! ! R10 R(5,6) 1.3973 -DE/DX = 0.0 ! ! R11 R(5,11) 1.4699 -DE/DX = 0.0 ! ! R12 R(6,7) 1.3796 -DE/DX = 0.0 ! ! R13 R(6,15) 1.0025 -DE/DX = 0.0 ! ! R14 R(7,8) 1.2414 -DE/DX = 0.0 ! ! R15 R(7,9) 1.4031 -DE/DX = 0.0 ! ! R16 R(9,10) 1.4116 -DE/DX = 0.0 ! ! R17 R(10,11) 1.3617 -DE/DX = 0.0 ! ! R18 R(10,16) 2.1286 -DE/DX = 0.0 ! ! R19 R(11,17) 1.0699 -DE/DX = 0.0 ! ! A1 A(2,1,3) 109.3248 -DE/DX = 0.0 ! ! A2 A(2,1,9) 113.1138 -DE/DX = 0.0 ! ! A3 A(2,1,12) 109.5507 -DE/DX = 0.0 ! ! A4 A(3,1,9) 110.3722 -DE/DX = 0.0 ! ! A5 A(3,1,12) 110.2697 -DE/DX = 0.0 ! ! A6 A(9,1,12) 104.1041 -DE/DX = 0.0 ! ! A7 A(1,2,13) 108.3162 -DE/DX = 0.0 ! ! A8 A(1,2,14) 109.6355 -DE/DX = 0.0 ! ! A9 A(1,2,18) 112.3026 -DE/DX = 0.0 ! ! A10 A(13,2,14) 108.8705 -DE/DX = 0.0 ! ! A11 A(13,2,18) 108.2623 -DE/DX = 0.0 ! ! A12 A(14,2,18) 109.3824 -DE/DX = 0.0 ! ! A13 A(1,3,19) 113.887 -DE/DX = 0.0 ! ! A14 A(4,5,6) 120.6824 -DE/DX = 0.0 ! ! A15 A(4,5,11) 125.3351 -DE/DX = 0.0 ! ! A16 A(6,5,11) 113.9824 -DE/DX = 0.0 ! ! A17 A(5,6,7) 126.6551 -DE/DX = 0.0 ! ! A18 A(5,6,15) 117.6593 -DE/DX = 0.0 ! ! A19 A(7,6,15) 115.6847 -DE/DX = 0.0 ! ! A20 A(6,7,8) 120.4577 -DE/DX = 0.0 ! ! A21 A(6,7,9) 117.2027 -DE/DX = 0.0 ! ! A22 A(8,7,9) 122.3395 -DE/DX = 0.0 ! ! A23 A(1,9,7) 114.8045 -DE/DX = 0.0 ! ! A24 A(1,9,10) 125.5899 -DE/DX = 0.0 ! ! A25 A(7,9,10) 119.5921 -DE/DX = 0.0 ! ! A26 A(9,10,11) 122.0655 -DE/DX = 0.0 ! ! A27 A(9,10,16) 122.7408 -DE/DX = 0.0 ! ! A28 A(11,10,16) 115.1887 -DE/DX = 0.0 ! ! A29 A(5,11,10) 120.5017 -DE/DX = 0.0 ! ! A30 A(5,11,17) 117.0887 -DE/DX = 0.0 ! ! A31 A(10,11,17) 122.4088 -DE/DX = 0.0 ! ! D1 D(3,1,2,13) 61.2849 -DE/DX = 0.0 ! ! D2 D(3,1,2,14) 179.9592 -DE/DX = 0.0 ! ! D3 D(3,1,2,18) -58.2245 -DE/DX = 0.0 ! ! D4 D(9,1,2,13) -175.2948 -DE/DX = 0.0 ! ! D5 D(9,1,2,14) -56.6204 -DE/DX = 0.0 ! ! D6 D(9,1,2,18) 65.1959 -DE/DX = 0.0 ! ! D7 D(12,1,2,13) -59.6536 -DE/DX = 0.0 ! ! D8 D(12,1,2,14) 59.0208 -DE/DX = 0.0 ! ! D9 D(12,1,2,18) -179.1629 -DE/DX = 0.0 ! ! D10 D(2,1,3,19) -156.5756 -DE/DX = 0.0 ! ! D11 D(9,1,3,19) 78.3964 -DE/DX = 0.0 ! ! D12 D(12,1,3,19) -36.0754 -DE/DX = 0.0 ! ! D13 D(2,1,9,7) 107.0354 -DE/DX = 0.0 ! ! D14 D(2,1,9,10) -71.6183 -DE/DX = 0.0 ! ! D15 D(3,1,9,7) -130.1236 -DE/DX = 0.0 ! ! D16 D(3,1,9,10) 51.2227 -DE/DX = 0.0 ! ! D17 D(12,1,9,7) -11.8069 -DE/DX = 0.0 ! ! D18 D(12,1,9,10) 169.5394 -DE/DX = 0.0 ! ! D19 D(4,5,6,7) 179.8245 -DE/DX = 0.0 ! ! D20 D(4,5,6,15) 0.2006 -DE/DX = 0.0 ! ! D21 D(11,5,6,7) -0.2948 -DE/DX = 0.0 ! ! D22 D(11,5,6,15) -179.9187 -DE/DX = 0.0 ! ! D23 D(4,5,11,10) -179.886 -DE/DX = 0.0 ! ! D24 D(4,5,11,17) 0.4447 -DE/DX = 0.0 ! ! D25 D(6,5,11,10) 0.2398 -DE/DX = 0.0 ! ! D26 D(6,5,11,17) -179.4296 -DE/DX = 0.0 ! ! D27 D(5,6,7,8) -179.6901 -DE/DX = 0.0 ! ! D28 D(5,6,7,9) 0.1911 -DE/DX = 0.0 ! ! D29 D(15,6,7,8) -0.0598 -DE/DX = 0.0 ! ! D30 D(15,6,7,9) 179.8214 -DE/DX = 0.0 ! ! D31 D(6,7,9,1) -178.7597 -DE/DX = 0.0 ! ! D32 D(6,7,9,10) -0.0187 -DE/DX = 0.0 ! ! D33 D(8,7,9,1) 1.1191 -DE/DX = 0.0 ! ! D34 D(8,7,9,10) 179.8601 -DE/DX = 0.0 ! ! D35 D(1,9,10,11) 178.5791 -DE/DX = 0.0 ! ! D36 D(1,9,10,16) -2.2756 -DE/DX = 0.0 ! ! D37 D(7,9,10,11) -0.0155 -DE/DX = 0.0 ! ! D38 D(7,9,10,16) 179.1298 -DE/DX = 0.0 ! ! D39 D(9,10,11,5) -0.1025 -DE/DX = 0.0 ! ! D40 D(9,10,11,17) 179.5488 -DE/DX = 0.0 ! ! D41 D(16,10,11,5) -179.3081 -DE/DX = 0.0 ! ! D42 D(16,10,11,17) 0.3433 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.078279 -4.975218 2.196314 2 6 0 7.223817 -4.952649 3.720516 3 8 0 7.091464 -6.324641 1.741595 4 8 0 2.721500 -2.003514 0.325658 5 6 0 3.627349 -2.722784 0.757953 6 7 0 4.963547 -2.328545 0.650616 7 6 0 6.067059 -3.029543 1.091352 8 8 0 7.208664 -2.565666 0.940656 9 7 0 5.835615 -4.268109 1.708731 10 6 0 4.512605 -4.738928 1.852513 11 6 0 3.439743 -4.027037 1.409256 12 1 0 7.886828 -4.423068 1.749043 13 1 0 8.177959 -5.405076 3.979378 14 1 0 7.215081 -3.923402 4.073459 15 1 0 5.154790 -1.445816 0.215724 16 53 0 4.048656 -6.613518 2.747944 17 1 0 2.435296 -4.381800 1.509033 18 1 0 6.438150 -5.509662 4.216872 19 1 0 7.357599 -6.423024 0.827387 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531302 0.000000 3 O 1.424038 2.411640 0.000000 4 O 5.595704 6.363436 6.306631 0.000000 5 C 4.364775 5.165623 5.093232 1.234824 0.000000 6 N 3.723729 4.628070 4.656935 2.288671 1.397273 7 C 2.455434 3.456722 3.511394 3.582149 2.481420 8 O 2.720224 3.664088 3.845144 4.563867 3.589414 9 N 1.510615 2.538303 2.409888 4.091331 2.858049 10 C 2.599369 3.299361 3.029406 3.608578 2.458979 11 C 3.841543 4.529668 4.327180 2.405141 1.469853 12 H 1.076417 2.146333 2.061223 5.878851 4.692163 13 H 2.138549 1.087238 2.652120 7.395487 6.187109 14 H 2.156086 1.088115 3.349450 6.158267 5.030496 15 H 4.480985 5.372367 5.466435 2.498802 2.063428 16 I 3.488113 3.712953 3.217897 5.374100 4.390373 17 H 4.730940 5.305324 5.050605 2.671804 2.176567 18 H 2.185876 1.083469 2.686635 6.422469 5.256559 19 H 2.011995 3.248092 0.957228 6.424735 5.254652 6 7 8 9 10 6 N 0.000000 7 C 1.379633 0.000000 8 O 2.276160 1.241432 0.000000 9 N 2.375293 1.403128 2.318084 0.000000 10 C 2.730907 2.432631 3.580962 1.411630 0.000000 11 C 2.404660 2.828223 4.069393 2.426520 1.361726 12 H 3.760205 2.384539 2.136197 2.057454 3.390555 13 H 5.556810 4.294152 4.270317 3.454723 4.289770 14 H 4.396457 3.318117 3.414373 2.759292 3.591805 15 H 1.002454 2.026611 2.449080 3.264648 3.733104 16 I 4.857654 4.434312 5.443991 3.126360 2.128645 17 H 3.368203 3.897790 5.138720 3.408075 2.135587 18 H 5.001214 4.007190 4.471510 2.862739 3.145147 19 H 4.746314 3.640176 3.861894 2.781522 3.461367 11 12 13 14 15 11 C 0.000000 12 H 4.477595 0.000000 13 H 5.563740 2.454280 0.000000 14 H 4.621893 2.470591 1.769559 0.000000 15 H 3.320934 4.321936 6.243427 5.026465 0.000000 16 I 2.975356 4.530721 4.475254 4.361188 5.860103 17 H 1.069919 5.456970 6.334657 5.443598 4.205746 18 H 4.367073 3.060970 1.759056 1.772121 5.845601 19 H 4.629138 2.264809 3.412368 4.099440 5.477143 16 17 18 19 16 I 0.000000 17 H 3.019668 0.000000 18 H 3.014287 4.962590 0.000000 19 H 3.830657 5.372179 3.628806 0.000000 Stoichiometry C6H7IN2O3 Framework group C1[X(C6H7IN2O3)] Deg. of freedom 51 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 -0.134294 2.135437 -0.085797 2 6 0 0.498006 2.509191 1.257851 3 8 0 0.866608 2.152490 -1.098609 4 8 0 -3.095960 -2.609214 0.083686 5 6 0 -2.370807 -1.610651 0.041098 6 7 0 -2.924688 -0.329551 -0.025018 7 6 0 -2.235114 0.864386 -0.073917 8 8 0 -2.847420 1.943084 -0.125331 9 7 0 -0.833686 0.796726 -0.060119 10 6 0 -0.197115 -0.461681 0.002257 11 6 0 -0.901067 -1.626338 0.050421 12 1 0 -0.916708 2.835640 -0.322897 13 1 0 0.903658 3.514646 1.176671 14 1 0 -0.262883 2.498415 2.035621 15 1 0 -3.924303 -0.254605 -0.033253 16 53 0 1.920080 -0.682169 0.001287 17 1 0 -0.424291 -2.583308 0.090681 18 1 0 1.303644 1.839284 1.533673 19 1 0 0.521803 2.281717 -1.982179 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8327458 0.4600080 0.3151015 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -1.47422 -1.43422 -1.42369 -1.33123 -1.27953 Alpha occ. eigenvalues -- -1.12602 -1.05529 -0.97795 -0.93225 -0.89597 Alpha occ. eigenvalues -- -0.87428 -0.80123 -0.77994 -0.73433 -0.69845 Alpha occ. eigenvalues -- -0.69214 -0.66219 -0.64051 -0.62304 -0.61600 Alpha occ. eigenvalues -- -0.57791 -0.57135 -0.56455 -0.55577 -0.53202 Alpha occ. eigenvalues -- -0.51947 -0.51246 -0.47200 -0.45195 -0.43818 Alpha occ. eigenvalues -- -0.41506 -0.39499 -0.35790 Alpha virt. eigenvalues -- 0.05234 0.06766 0.13611 0.18010 0.21281 Alpha virt. eigenvalues -- 0.23726 0.24993 0.26044 0.26622 0.27648 Alpha virt. eigenvalues -- 0.28829 0.29240 0.31657 0.31988 0.33123 Alpha virt. eigenvalues -- 0.34969 0.35775 0.36250 0.36912 0.37761 Alpha virt. eigenvalues -- 0.40314 0.42031 0.43106 0.44062 0.45243 Alpha virt. eigenvalues -- 0.46005 0.47734 0.50939 0.52286 0.53334 Alpha virt. eigenvalues -- 0.53999 0.56037 0.56775 0.60089 0.62006 Alpha virt. eigenvalues -- 0.63250 0.67442 0.68966 0.70115 0.73263 Alpha virt. eigenvalues -- 0.78521 0.80078 0.80983 0.85229 0.87552 Alpha virt. eigenvalues -- 0.88573 0.91078 0.94213 0.96103 0.99232 Alpha virt. eigenvalues -- 0.99824 1.02727 1.03141 1.05780 1.10593 Alpha virt. eigenvalues -- 1.11663 1.13608 1.25555 1.29175 1.42158 Alpha virt. eigenvalues -- 1.42388 1.44837 1.48042 1.49614 1.54494 Alpha virt. eigenvalues -- 2.03784 2.80941 3.00855 3.11807 3.90237 Alpha virt. eigenvalues -- 3.97649 4.47908 5.13297 5.25010 5.67025 Alpha virt. eigenvalues -- 6.39010 8.18787 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 3.065247 0.332202 0.291779 -0.000015 0.001137 -0.015100 2 C 0.332202 2.951829 -0.088503 -0.000001 -0.000253 -0.000392 3 O 0.291779 -0.088503 6.255577 -0.000000 -0.000080 -0.000222 4 O -0.000015 -0.000001 -0.000000 5.845615 0.550778 -0.108184 5 C 0.001137 -0.000253 -0.000080 0.550778 3.070820 0.185299 6 N -0.015100 -0.000392 -0.000222 -0.108184 0.185299 4.970374 7 C -0.035907 0.000955 -0.002223 0.001500 0.027412 0.266033 8 O -0.019159 0.000908 0.001053 -0.000090 -0.000444 -0.122457 9 N -0.048029 -0.054731 -0.099572 -0.000298 0.012754 -0.166998 10 C -0.017539 -0.018090 0.002872 0.009529 0.163855 0.091934 11 C 0.002784 -0.000002 0.000791 -0.061456 0.075427 -0.159517 12 H 0.419386 -0.057007 -0.056893 -0.000000 0.000213 0.000647 13 H -0.028796 0.398346 0.002084 0.000000 -0.000000 0.000002 14 H -0.021035 0.381530 0.003866 0.000000 0.000021 0.000016 15 H -0.000016 -0.000001 0.000001 0.001995 -0.010239 0.319799 16 I -0.000028 -0.023643 -0.025540 -0.000076 0.008433 0.000257 17 H -0.000034 0.000010 -0.000001 -0.003801 -0.024563 0.001799 18 H -0.006851 0.374589 -0.000116 -0.000000 0.000029 -0.000002 19 H -0.020574 0.009759 0.259664 0.000000 -0.000027 0.000011 7 8 9 10 11 12 1 C -0.035907 -0.019159 -0.048029 -0.017539 0.002784 0.419386 2 C 0.000955 0.000908 -0.054731 -0.018090 -0.000002 -0.057007 3 O -0.002223 0.001053 -0.099572 0.002872 0.000791 -0.056893 4 O 0.001500 -0.000090 -0.000298 0.009529 -0.061456 -0.000000 5 C 0.027412 -0.000444 0.012754 0.163855 0.075427 0.000213 6 N 0.266033 -0.122457 -0.166998 0.091934 -0.159517 0.000647 7 C 2.843007 0.570874 0.349525 -0.025394 0.004638 -0.000891 8 O 0.570874 5.963730 -0.097311 0.003745 -0.001124 -0.001818 9 N 0.349525 -0.097311 5.342737 0.038422 -0.064496 -0.043594 10 C -0.025394 0.003745 0.038422 4.015846 0.162667 0.007125 11 C 0.004638 -0.001124 -0.064496 0.162667 3.756932 -0.000526 12 H -0.000891 -0.001818 -0.043594 0.007125 -0.000526 0.508688 13 H 0.000171 -0.000035 0.005811 0.000197 0.000005 -0.001787 14 H 0.002008 -0.000078 -0.000363 0.001874 0.000104 -0.002389 15 H -0.018521 -0.004655 0.000682 0.000290 0.003009 0.000001 16 I -0.002659 -0.000001 -0.017564 0.139681 -0.096146 -0.000230 17 H 0.000413 0.000001 0.003184 -0.049799 0.354393 0.000000 18 H -0.000687 -0.000018 -0.006099 0.006097 0.000478 0.002998 19 H 0.000346 0.000061 0.004804 -0.001504 -0.000051 -0.005738 13 14 15 16 17 18 1 C -0.028796 -0.021035 -0.000016 -0.000028 -0.000034 -0.006851 2 C 0.398346 0.381530 -0.000001 -0.023643 0.000010 0.374589 3 O 0.002084 0.003866 0.000001 -0.025540 -0.000001 -0.000116 4 O 0.000000 0.000000 0.001995 -0.000076 -0.003801 -0.000000 5 C -0.000000 0.000021 -0.010239 0.008433 -0.024563 0.000029 6 N 0.000002 0.000016 0.319799 0.000257 0.001799 -0.000002 7 C 0.000171 0.002008 -0.018521 -0.002659 0.000413 -0.000687 8 O -0.000035 -0.000078 -0.004655 -0.000001 0.000001 -0.000018 9 N 0.005811 -0.000363 0.000682 -0.017564 0.003184 -0.006099 10 C 0.000197 0.001874 0.000290 0.139681 -0.049799 0.006097 11 C 0.000005 0.000104 0.003009 -0.096146 0.354393 0.000478 12 H -0.001787 -0.002389 0.000001 -0.000230 0.000000 0.002998 13 H 0.509396 -0.017129 0.000000 0.000709 0.000000 -0.013892 14 H -0.017129 0.552726 0.000000 0.000959 -0.000000 -0.019599 15 H 0.000000 0.000000 0.261532 0.000005 -0.000042 -0.000000 16 I 0.000709 0.000959 0.000005 6.652314 -0.003508 -0.001967 17 H 0.000000 -0.000000 -0.000042 -0.003508 0.399110 -0.000001 18 H -0.013892 -0.019599 -0.000000 -0.001967 -0.000001 0.539470 19 H -0.000065 -0.000090 -0.000000 0.000935 0.000000 -0.000128 19 1 C -0.020574 2 C 0.009759 3 O 0.259664 4 O 0.000000 5 C -0.000027 6 N 0.000011 7 C 0.000346 8 O 0.000061 9 N 0.004804 10 C -0.001504 11 C -0.000051 12 H -0.005738 13 H -0.000065 14 H -0.000090 15 H -0.000000 16 I 0.000935 17 H 0.000000 18 H -0.000128 19 H 0.356515 Mulliken charges: 1 1 C 0.100549 2 C -0.207507 3 O -0.544537 4 O -0.235496 5 C -0.060571 6 N -0.263299 7 C 0.019401 8 O -0.293182 9 N -0.158862 10 C -0.531806 11 C 0.022090 12 H 0.231812 13 H 0.144983 14 H 0.117580 15 H 0.446159 16 I 0.368067 17 H 0.322837 18 H 0.125699 19 H 0.396083 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.332360 2 C 0.180756 3 O -0.148454 4 O -0.235496 5 C -0.060571 6 N 0.182860 7 C 0.019401 8 O -0.293182 9 N -0.158862 10 C -0.531806 11 C 0.344928 16 I 0.368067 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147450460 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= 1.40D+01 NSMCal= 741 NSMKep= 732 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 732 NTPThr= 100 NPartT= 1 Incr= 7 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= 7. PRISM was handed 2147387993 working-precision words and 732 shell-pairs IPart= 0 NShTot= 732 NBatch= 28 AvBLen= 26.1 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 8. Electronic moments (au): -66.00000000 114.65727421 -44.23731784 -0.12417361 -962.08081342 -816.96210919 -151.66557312 -155.44675425 1.24464927 -1.07773697 3959.57638595 -1012.89298999 -62.16813564 1430.30218691 604.62136300 31.38833943 -39.25956866 -404.71543937 -146.85531689 -56.57198533 -29093.32919989 -18391.86234934 -1301.41612166 -4018.19590871 -109.95317034 -5104.20347901 -719.24665395 15.18503007 -334.38082796 -11458.63211435 -1155.13319697 -2522.38401906 397.50265404 31.76771606 -486.56869119 Electronic spatial extent (au): = 1930.7085 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 66.00000000 -113.33177195 45.07377288 0.01467370 888.92697214 744.42667813 91.84498538 150.05473898 0.10232746 0.90441628 -3709.80531172 1015.43169660 39.42897013 -1279.18001588 -618.31313976 -28.52138294 95.16351473 407.55349830 140.42788611 57.30813922 24013.66641456 14466.00830294 750.15700230 3602.77396833 118.88094538 4619.34643033 688.32846718 -37.98901052 234.35226860 9309.71222368 190.78661344 1868.51759704 -359.62549025 -5.94293774 420.17557697 Total moments (au): -0.00000000 1.32550226 0.83645504 -0.10949991 -73.15384128 -72.53543106 -59.82058774 -5.39201526 1.34697673 -0.17332069 249.77107423 2.53870661 -22.73916551 151.12217103 -13.69177676 2.86695649 55.90394607 2.83805893 -6.42743077 0.73615389 -5079.66278533 -3925.85404640 -551.25911936 -415.42194038 8.92777504 -484.85704869 -30.91818677 -22.80398045 -100.02855935 -2148.91989067 -964.34658354 -653.86642202 37.87716379 25.82477831 -66.39311422 Traceless Quadrup. (au): -4.65055459 -4.03214437 8.68269896 -5.39201526 1.34697673 -0.17332069 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 3.3691 Y= 2.1261 Z= -0.2783 Tot= 3.9935 Quadrupole moment (field-independent basis, Debye-Ang): XX= -98.3944 YY= -97.5626 ZZ= -80.4607 XY= -7.2524 XZ= 1.8117 YZ= -0.2331 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -6.2552 YY= -5.4234 ZZ= 11.6785 XY= -7.2524 XZ= 1.8117 YZ= -0.2331 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 177.7774 YYY= 1.8070 ZZZ= -16.1849 XYY= 107.5629 XXY= -9.7453 XXZ= 2.0406 XZZ= 39.7903 YZZ= 2.0200 YYZ= -4.5748 XYZ= 0.5240 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1913.2446 YYYY= -1478.6649 ZZZZ= -207.6306 XXXY= -156.4678 XXXZ= 3.3626 YYYX= -182.6204 YYYZ= -11.6453 ZZZX= -8.5891 ZZZY= -37.6756 XXYY= -809.3863 XXZZ= -363.2192 YYZZ= -246.2774 XXYZ= 14.2664 YYXZ= 9.7268 ZZXY= -25.0068 N-N= 3.769721686844D+02 E-N=-1.015755038774D+03 KE= 8.384389688498D+01 Entering OneElI... OneElI was handed 2147455961 working-precision words. Calculate electrostatic properties NBasis = 110 MinDer = 0 MaxDer = 0 NGrid = 19 NMatD = 1 Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.40D+01 NSMCal= 741 NSMKep= 719 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 13661 NTPThr= 100 NPartT= 12 Incr= 11 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= 11. PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs PRISM was handed 178927819 working-precision words and 719 shell-pairs IPart= 0 NShTot= 1444 NBatch= 76 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 7 NShTot= 1083 NBatch= 57 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 1121 NBatch= 59 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 5 NShTot= 1159 NBatch= 61 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 912 NBatch= 48 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 4 NShTot= 1197 NBatch= 63 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 10 NShTot= 931 NBatch= 49 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 9 NShTot= 950 NBatch= 50 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 2 NShTot= 1292 NBatch= 68 AvBLen= 19.0 IPart= 1 NShTot= 1311 NBatch= 69 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 8 NShTot= 1026 NBatch= 54 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 3 NShTot= 1235 NBatch= 65 AvBLen= 19.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 133. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.070158 -0.151856 0.081697 2 Atom 0.031665 0.055127 -0.086792 3 Atom -0.042063 1.701924 -1.659861 4 Atom 0.845794 -0.135019 -0.710775 5 Atom 0.280782 0.062106 -0.342888 6 Atom -0.375324 -0.537369 0.912693 7 Atom 0.095737 0.211511 -0.307248 8 Atom 0.909876 -0.582197 -0.327679 9 Atom -0.568817 -0.464029 1.032846 10 Atom 0.029078 0.109731 -0.138810 11 Atom -0.063018 0.057616 0.005401 12 Atom -0.079377 -0.061114 0.140490 13 Atom 0.100857 -0.261646 0.160790 14 Atom -0.076397 0.170949 -0.094552 15 Atom -0.446934 0.184570 0.262364 16 Atom -0.109088 0.055009 0.054079 17 Atom 0.055586 -0.251312 0.195727 18 Atom -0.107449 -0.027214 0.134664 19 Atom 0.159983 0.287050 -0.447034 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.279567 0.309747 -0.017901 2 Atom -0.026762 -0.063059 -0.050036 3 Atom 0.045465 0.510153 0.352994 4 Atom -1.450381 0.081825 -0.038629 5 Atom 0.099940 -0.000028 -0.018834 6 Atom -0.079259 -0.004947 0.069124 7 Atom -0.081026 0.001600 -0.023681 8 Atom 1.354043 -0.031910 0.035122 9 Atom 0.123005 -0.047363 0.044526 10 Atom 0.155023 -0.005930 -0.006465 11 Atom -0.080581 0.003074 -0.002410 12 Atom 0.226023 -0.073881 0.075938 13 Atom -0.175600 0.006931 0.033145 14 Atom -0.006582 0.246554 0.000323 15 Atom 0.044616 -0.005572 0.003907 16 Atom 0.029074 -0.001686 -0.003122 17 Atom 0.208194 -0.008898 0.018884 18 Atom 0.233454 -0.102021 0.074583 19 Atom 0.040654 -0.245180 0.107000 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.5723 2.749 0.981 0.917 0.3721 0.9273 -0.0419 6 N(14) Bbb -0.3437 1.651 0.589 0.551 0.9282 -0.3713 0.0241 Bcc 0.9160 -4.399 -1.570 -1.467 -0.0068 0.0479 0.9988 Baa -0.6526 3.134 1.118 1.045 0.8328 -0.5523 0.0380 9 N(14) Bbb -0.3828 1.839 0.656 0.613 0.5529 0.8332 -0.0077 Bcc 1.0354 -4.973 -1.774 -1.659 -0.0274 0.0274 0.9992 Baa -0.1141 -19.034 -6.792 -6.349 0.9855 -0.1693 0.0067 16 I(127) Bbb 0.0526 8.770 3.129 2.925 0.0637 0.4069 0.9113 Bcc 0.0615 10.264 3.663 3.424 0.1570 0.8977 -0.4118 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon May 6 15:29:46 2024, MaxMem= 2147483648 cpu: 0.8 elap: 0.1 FitSet: NAtFit= 19 NAtPot= 19 NAtFrz= 0 MDM= 23 TotChg= 0.00000 Merz-Kollman atomic radii used. Read replacement radii for each type of atom: Rad(53) = 1.990000000000D+00 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 53 1.99 17 1 1.20 18 1 1.20 19 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 -0.134294 2.135437 -0.085797 Atomic Center 2 is at 0.498006 2.509191 1.257851 Atomic Center 3 is at 0.866608 2.152490 -1.098609 Atomic Center 4 is at -3.095960 -2.609214 0.083686 Atomic Center 5 is at -2.370807 -1.610651 0.041098 Atomic Center 6 is at -2.924688 -0.329551 -0.025018 Atomic Center 7 is at -2.235114 0.864386 -0.073917 Atomic Center 8 is at -2.847420 1.943084 -0.125331 Atomic Center 9 is at -0.833686 0.796726 -0.060119 Atomic Center 10 is at -0.197115 -0.461681 0.002257 Atomic Center 11 is at -0.901067 -1.626338 0.050421 Atomic Center 12 is at -0.916708 2.835640 -0.322897 Atomic Center 13 is at 0.903658 3.514646 1.176671 Atomic Center 14 is at -0.262883 2.498415 2.035621 Atomic Center 15 is at -3.924303 -0.254605 -0.033253 Atomic Center 16 is at 1.920080 -0.682169 0.001287 Atomic Center 17 is at -0.424291 -2.583308 0.090681 Atomic Center 18 is at 1.303644 1.839284 1.533673 Atomic Center 19 is at 0.521803 2.281717 -1.982179 ESP Fit Center 20 is at 0.581033 4.066877 -0.495487 ESP Fit Center 21 is at 0.177594 4.171335 -0.495487 ESP Fit Center 22 is at -1.281126 1.921057 -1.831884 ESP Fit Center 23 is at 0.907695 2.509191 3.317500 ESP Fit Center 24 is at 1.301641 2.509191 3.197998 ESP Fit Center 25 is at 1.193974 2.911008 3.197998 ESP Fit Center 26 is at 0.899823 3.205159 3.197998 ESP Fit Center 27 is at 0.899823 1.813222 3.197998 ESP Fit Center 28 is at 1.193974 2.107373 3.197998 ESP Fit Center 29 is at 1.585919 2.930650 3.003937 ESP Fit Center 30 is at 1.360205 3.295190 3.003937 ESP Fit Center 31 is at 1.018047 3.553575 3.003937 ESP Fit Center 32 is at 0.605655 3.670911 3.003937 ESP Fit Center 33 is at 0.605655 1.347470 3.003937 ESP Fit Center 34 is at 1.922780 2.927542 2.742775 ESP Fit Center 35 is at 1.747203 3.312001 2.742775 ESP Fit Center 36 is at 0.286679 3.979000 2.742775 ESP Fit Center 37 is at 0.286679 1.039381 2.742775 ESP Fit Center 38 is at 2.044088 3.320637 2.424548 ESP Fit Center 39 is at -0.121165 4.141810 2.424548 ESP Fit Center 40 is at 0.287538 0.775835 2.424548 ESP Fit Center 41 is at -0.220117 0.706839 2.061486 ESP Fit Center 42 is at 0.184125 0.594602 2.061486 ESP Fit Center 43 is at -0.762718 4.137911 1.667540 ESP Fit Center 44 is at -0.668692 4.255277 1.257851 ESP Fit Center 45 is at -0.986919 3.994115 1.257851 ESP Fit Center 46 is at -1.248081 3.675888 1.257851 ESP Fit Center 47 is at 2.515494 2.923795 0.848161 ESP Fit Center 48 is at -0.762718 4.137911 0.848161 ESP Fit Center 49 is at 2.438153 2.509191 0.454215 ESP Fit Center 50 is at 2.392793 2.926265 0.454215 ESP Fit Center 51 is at 2.323172 2.152490 0.212887 ESP Fit Center 52 is at 2.564018 2.152490 -0.118609 ESP Fit Center 53 is at 2.510691 2.574618 -0.118609 ESP Fit Center 54 is at 2.354060 2.970223 -0.118609 ESP Fit Center 55 is at 2.103967 3.314447 -0.118609 ESP Fit Center 56 is at 2.730679 2.152490 -0.492936 ESP Fit Center 57 is at 2.683943 2.567285 -0.492936 ESP Fit Center 58 is at 2.546078 2.961280 -0.492936 ESP Fit Center 59 is at 2.323997 3.314719 -0.492936 ESP Fit Center 60 is at 2.028837 3.609879 -0.492936 ESP Fit Center 61 is at 1.675398 3.831960 -0.492936 ESP Fit Center 62 is at 1.281403 3.969824 -0.492936 ESP Fit Center 63 is at 0.866608 4.016561 -0.492936 ESP Fit Center 64 is at 2.815871 2.152490 -0.893734 ESP Fit Center 65 is at 2.770298 2.571524 -0.893734 ESP Fit Center 66 is at 2.635711 2.970964 -0.893734 ESP Fit Center 67 is at 2.418403 3.332133 -0.893734 ESP Fit Center 68 is at 2.128534 3.638144 -0.893734 ESP Fit Center 69 is at 1.779659 3.874687 -0.893734 ESP Fit Center 70 is at 1.388091 4.030702 -0.893734 ESP Fit Center 71 is at 0.972139 4.098894 -0.893734 ESP Fit Center 72 is at 0.551253 4.076074 -0.893734 ESP Fit Center 73 is at 2.815871 2.152490 -1.303485 ESP Fit Center 74 is at 2.770298 2.571524 -1.303485 ESP Fit Center 75 is at 2.635711 2.970964 -1.303485 ESP Fit Center 76 is at 2.418403 3.332133 -1.303485 ESP Fit Center 77 is at 2.128534 3.638144 -1.303485 ESP Fit Center 78 is at 1.779659 3.874687 -1.303485 ESP Fit Center 79 is at 1.388091 4.030702 -1.303485 ESP Fit Center 80 is at 0.972139 4.098894 -1.303485 ESP Fit Center 81 is at 0.551253 4.076074 -1.303485 ESP Fit Center 82 is at 0.145112 3.963310 -1.303485 ESP Fit Center 83 is at 2.770298 1.733456 -1.303485 ESP Fit Center 84 is at 2.730679 2.152490 -1.704283 ESP Fit Center 85 is at 2.683943 2.567285 -1.704283 ESP Fit Center 86 is at 2.546078 2.961280 -1.704283 ESP Fit Center 87 is at 2.323997 3.314719 -1.704283 ESP Fit Center 88 is at 2.028837 3.609879 -1.704283 ESP Fit Center 89 is at 1.675398 3.831960 -1.704283 ESP Fit Center 90 is at 1.281403 3.969824 -1.704283 ESP Fit Center 91 is at 0.866608 4.016561 -1.704283 ESP Fit Center 92 is at 0.451813 3.969824 -1.704283 ESP Fit Center 93 is at 2.683943 1.737695 -1.704283 ESP Fit Center 94 is at 2.564018 2.152490 -2.078609 ESP Fit Center 95 is at 2.510691 2.574618 -2.078609 ESP Fit Center 96 is at 2.354060 2.970223 -2.078609 ESP Fit Center 97 is at 2.103967 3.314447 -2.078609 ESP Fit Center 98 is at 1.776126 3.585660 -2.078609 ESP Fit Center 99 is at 1.391137 3.766822 -2.078609 ESP Fit Center 100 is at 0.143886 0.616628 -2.078609 ESP Fit Center 101 is at 2.354060 1.334756 -2.078609 ESP Fit Center 102 is at 2.510691 1.730361 -2.078609 ESP Fit Center 103 is at 2.323172 2.152490 -2.410105 ESP Fit Center 104 is at 2.264171 2.562851 -2.410105 ESP Fit Center 105 is at 2.091948 2.939968 -2.410105 ESP Fit Center 106 is at 1.073899 0.710752 -2.410105 ESP Fit Center 107 is at 1.471687 0.827553 -2.410105 ESP Fit Center 108 is at 1.820455 1.051692 -2.410105 ESP Fit Center 109 is at 2.091948 1.365012 -2.410105 ESP Fit Center 110 is at 2.264171 1.742128 -2.410105 ESP Fit Center 111 is at -3.095960 -2.609214 2.043686 ESP Fit Center 112 is at -2.688453 -2.609214 2.000856 ESP Fit Center 113 is at -2.892207 -2.256303 2.000856 ESP Fit Center 114 is at -3.299714 -2.256303 2.000856 ESP Fit Center 115 is at -3.503467 -2.609214 2.000856 ESP Fit Center 116 is at -3.299714 -2.962126 2.000856 ESP Fit Center 117 is at -2.892207 -2.962126 2.000856 ESP Fit Center 118 is at -3.494562 -1.918816 1.874235 ESP Fit Center 119 is at -3.786359 -2.210612 1.874235 ESP Fit Center 120 is at -3.893164 -2.609214 1.874235 ESP Fit Center 121 is at -3.786359 -3.007816 1.874235 ESP Fit Center 122 is at -3.494562 -3.299613 1.874235 ESP Fit Center 123 is at -3.095960 -3.406418 1.874235 ESP Fit Center 124 is at -2.697358 -3.299613 1.874235 ESP Fit Center 125 is at -2.405561 -3.007816 1.874235 ESP Fit Center 126 is at -3.790231 -1.689851 1.669360 ESP Fit Center 127 is at -4.075461 -2.002733 1.669360 ESP Fit Center 128 is at -4.228403 -2.397524 1.669360 ESP Fit Center 129 is at -4.228403 -2.820905 1.669360 ESP Fit Center 130 is at -4.075461 -3.215695 1.669360 ESP Fit Center 131 is at -3.790231 -3.528577 1.669360 ESP Fit Center 132 is at -3.411236 -3.717294 1.669360 ESP Fit Center 133 is at -2.989662 -3.756359 1.669360 ESP Fit Center 134 is at -2.582443 -3.640495 1.669360 ESP Fit Center 135 is at -2.244578 -3.385351 1.669360 ESP Fit Center 136 is at -2.021697 -3.025386 1.669360 ESP Fit Center 137 is at -4.049807 -1.508417 1.395182 ESP Fit Center 138 is at -4.321300 -1.821736 1.395182 ESP Fit Center 139 is at -4.493523 -2.198853 1.395182 ESP Fit Center 140 is at -4.552524 -2.609214 1.395182 ESP Fit Center 141 is at -4.493523 -3.019576 1.395182 ESP Fit Center 142 is at -4.321300 -3.396692 1.395182 ESP Fit Center 143 is at -4.049807 -3.710012 1.395182 ESP Fit Center 144 is at -3.701039 -3.934151 1.395182 ESP Fit Center 145 is at -3.303251 -4.050952 1.395182 ESP Fit Center 146 is at -2.888669 -4.050952 1.395182 ESP Fit Center 147 is at -2.490882 -3.934151 1.395182 ESP Fit Center 148 is at -2.142114 -3.710012 1.395182 ESP Fit Center 149 is at -1.870621 -3.396692 1.395182 ESP Fit Center 150 is at -4.469193 -1.611502 1.063686 ESP Fit Center 151 is at -4.674172 -1.984356 1.063686 ESP Fit Center 152 is at -4.779985 -2.396472 1.063686 ESP Fit Center 153 is at -4.779985 -2.821956 1.063686 ESP Fit Center 154 is at -4.674172 -3.234073 1.063686 ESP Fit Center 155 is at -4.469193 -3.606927 1.063686 ESP Fit Center 156 is at -4.177930 -3.917091 1.063686 ESP Fit Center 157 is at -3.818682 -4.145077 1.063686 ESP Fit Center 158 is at -3.414023 -4.276558 1.063686 ESP Fit Center 159 is at -2.989379 -4.303275 1.063686 ESP Fit Center 160 is at -2.571432 -4.223547 1.063686 ESP Fit Center 161 is at -2.186442 -4.042385 1.063686 ESP Fit Center 162 is at -1.858602 -3.771171 1.063686 ESP Fit Center 163 is at -1.608509 -3.426948 1.063686 ESP Fit Center 164 is at -4.775430 -1.800424 0.689360 ESP Fit Center 165 is at -4.913295 -2.194420 0.689360 ESP Fit Center 166 is at -4.960031 -2.609214 0.689360 ESP Fit Center 167 is at -4.913295 -3.024009 0.689360 ESP Fit Center 168 is at -4.775430 -3.418004 0.689360 ESP Fit Center 169 is at -4.553349 -3.771443 0.689360 ESP Fit Center 170 is at -4.258189 -4.066604 0.689360 ESP Fit Center 171 is at -3.904750 -4.288684 0.689360 ESP Fit Center 172 is at -3.510755 -4.426549 0.689360 ESP Fit Center 173 is at -3.095960 -4.473285 0.689360 ESP Fit Center 174 is at -2.681165 -4.426549 0.689360 ESP Fit Center 175 is at -2.287170 -4.288684 0.689360 ESP Fit Center 176 is at -1.933731 -4.066604 0.689360 ESP Fit Center 177 is at -1.638571 -3.771443 0.689360 ESP Fit Center 178 is at -4.943185 -1.986812 0.288562 ESP Fit Center 179 is at -5.033796 -2.398462 0.288562 ESP Fit Center 180 is at 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Center 812 is at -1.830344 2.918415 1.600805 ESP Fit Center 813 is at -1.885638 2.498415 1.600805 ESP Fit Center 814 is at -1.830344 2.078415 1.600805 ESP Fit Center 815 is at -1.573723 3.129682 1.195621 ESP Fit Center 816 is at -4.359119 -0.254605 1.589503 ESP Fit Center 817 is at -4.344303 0.472856 1.421670 ESP Fit Center 818 is at -4.651764 0.165395 1.421670 ESP Fit Center 819 is at -4.764303 -0.254605 1.421670 ESP Fit Center 820 is at -4.651764 -0.674605 1.421670 ESP Fit Center 821 is at -4.344303 -0.982066 1.421670 ESP Fit Center 822 is at -4.249398 0.887986 1.154687 ESP Fit Center 823 is at -4.640196 0.693391 1.154687 ESP Fit Center 824 is at -4.934309 0.370764 1.154687 ESP Fit Center 825 is at -5.092015 -0.036322 1.154687 ESP Fit Center 826 is at -5.092015 -0.472888 1.154687 ESP Fit Center 827 is at -4.934309 -0.879975 1.154687 ESP Fit Center 828 is at -4.640196 -1.202601 1.154687 ESP Fit Center 829 is at -4.651764 1.005395 0.806747 ESP Fit Center 830 is at -4.990836 0.734994 0.806747 ESP Fit Center 831 is at -5.235143 0.376662 0.806747 ESP Fit Center 832 is at -5.362975 -0.037760 0.806747 ESP Fit Center 833 is at -5.362975 -0.471450 0.806747 ESP Fit Center 834 is at -5.235143 -0.885872 0.806747 ESP Fit Center 835 is at -4.990836 -1.244204 0.806747 ESP Fit Center 836 is at -4.651764 -1.514605 0.806747 ESP Fit Center 837 is at -4.735680 1.150742 0.401563 ESP Fit Center 838 is at -5.071764 0.892856 0.401563 ESP Fit Center 839 is at -5.329650 0.556773 0.401563 ESP Fit Center 840 is at -5.491764 0.165395 0.401563 ESP Fit Center 841 is at -5.547058 -0.254605 0.401563 ESP Fit Center 842 is at -5.491764 -0.674605 0.401563 ESP Fit Center 843 is at -5.329650 -1.065983 0.401563 ESP Fit Center 844 is at -5.071764 -1.402066 0.401563 ESP Fit Center 845 is at -4.995175 1.039857 -0.033253 ESP Fit Center 846 is at -5.283451 0.732874 -0.033253 ESP Fit Center 847 is at -5.486327 0.363844 -0.033253 ESP Fit Center 848 is at -5.591055 -0.044045 -0.033253 ESP Fit Center 849 is at -5.591055 -0.465165 -0.033253 ESP Fit Center 850 is at -5.486327 -0.873054 -0.033253 ESP Fit Center 851 is at -5.283451 -1.242084 -0.033253 ESP Fit Center 852 is at -4.995175 -1.549067 -0.033253 ESP Fit Center 853 is at -4.735680 1.150742 -0.468069 ESP Fit Center 854 is at -5.071764 0.892856 -0.468069 ESP Fit Center 855 is at -5.329650 0.556773 -0.468069 ESP Fit Center 856 is at -5.491764 0.165395 -0.468069 ESP Fit Center 857 is at -5.547058 -0.254605 -0.468069 ESP Fit Center 858 is at -5.491764 -0.674605 -0.468069 ESP Fit Center 859 is at -5.329650 -1.065983 -0.468069 ESP Fit Center 860 is at -5.071764 -1.402066 -0.468069 ESP Fit Center 861 is at -4.735680 -1.659952 -0.468069 ESP Fit Center 862 is at -4.651764 1.005395 -0.873253 ESP Fit Center 863 is at -4.990836 0.734994 -0.873253 ESP Fit Center 864 is at -5.235143 0.376662 -0.873253 ESP Fit Center 865 is at -5.362975 -0.037760 -0.873253 ESP Fit Center 866 is at -5.362975 -0.471450 -0.873253 ESP Fit Center 867 is at -5.235143 -0.885872 -0.873253 ESP Fit Center 868 is at -4.990836 -1.244204 -0.873253 ESP Fit Center 869 is at -4.651764 -1.514605 -0.873253 ESP Fit Center 870 is at -4.249398 0.887986 -1.221192 ESP Fit Center 871 is at -4.640196 0.693391 -1.221192 ESP Fit Center 872 is at -4.934309 0.370764 -1.221192 ESP Fit Center 873 is at -5.092015 -0.036322 -1.221192 ESP Fit Center 874 is at -5.092015 -0.472888 -1.221192 ESP Fit Center 875 is at -4.934309 -0.879975 -1.221192 ESP Fit Center 876 is at -4.640196 -1.202601 -1.221192 ESP Fit Center 877 is at -4.344303 0.472856 -1.488175 ESP Fit Center 878 is at -4.651764 0.165395 -1.488175 ESP Fit Center 879 is at -4.764303 -0.254605 -1.488175 ESP Fit Center 880 is at -4.651764 -0.674605 -1.488175 ESP Fit Center 881 is at -4.344303 -0.982066 -1.488175 ESP Fit Center 882 is at -4.359119 -0.254605 -1.656008 ESP Fit Center 883 is at 1.920080 -0.682169 2.787287 ESP Fit Center 884 is at 2.335311 -0.682169 2.756169 ESP Fit Center 885 is at 2.127696 -0.322568 2.756169 ESP Fit Center 886 is at 1.712464 -0.322568 2.756169 ESP Fit Center 887 is at 1.504848 -0.682169 2.756169 ESP Fit Center 888 is at 1.712464 -1.041770 2.756169 ESP Fit Center 889 is at 2.127696 -1.041770 2.756169 ESP Fit Center 890 is at 2.741268 -0.682169 2.663513 ESP Fit Center 891 is at 2.631249 -0.271575 2.663513 ESP Fit Center 892 is at 2.330674 0.029001 2.663513 ESP Fit Center 893 is at 1.920080 0.139019 2.663513 ESP Fit Center 894 is at 1.509486 0.029001 2.663513 ESP Fit Center 895 is at 1.208910 -0.271575 2.663513 ESP Fit Center 896 is at 1.098892 -0.682169 2.663513 ESP Fit Center 897 is at 1.208910 -1.092763 2.663513 ESP Fit Center 898 is at 1.509486 -1.393339 2.663513 ESP Fit Center 899 is at 1.920080 -1.503357 2.663513 ESP Fit Center 900 is at 2.330674 -1.393339 2.663513 ESP Fit Center 901 is at 2.631249 -1.092763 2.663513 ESP Fit Center 902 is at 3.128880 -0.682169 2.511386 ESP Fit Center 903 is at 3.055980 -0.268735 2.511386 ESP Fit Center 904 is at 2.846074 0.094833 2.511386 ESP Fit Center 905 is at 2.524480 0.364683 2.511386 ESP Fit Center 906 is at 2.129986 0.508267 2.511386 ESP Fit Center 907 is at 1.710174 0.508267 2.511386 ESP Fit Center 908 is at 1.315680 0.364683 2.511386 ESP Fit Center 909 is at 0.994085 0.094833 2.511386 ESP Fit Center 910 is at 0.784179 -0.268735 2.511386 ESP Fit Center 911 is at 0.711280 -0.682169 2.511386 ESP Fit Center 912 is at 0.784179 -1.095603 2.511386 ESP Fit Center 913 is at 0.994085 -1.459171 2.511386 ESP Fit Center 914 is at 1.315680 -1.729020 2.511386 ESP Fit Center 915 is at 1.710174 -1.872605 2.511386 ESP Fit Center 916 is at 2.129986 -1.872605 2.511386 ESP Fit Center 917 is at 2.524480 -1.729020 2.511386 ESP Fit Center 918 is at 2.846074 -1.459171 2.511386 ESP Fit Center 919 is at 3.055980 -1.095603 2.511386 ESP Fit Center 920 is at 3.489489 -0.682169 2.303188 ESP Fit Center 921 is at 3.431291 -0.258747 2.303188 ESP Fit Center 922 is at 3.261014 0.133271 2.303188 ESP Fit Center 923 is at 2.991285 0.464812 2.303188 ESP Fit Center 924 is at 2.642110 0.711287 2.303188 ESP Fit Center 925 is at 0.702671 0.308267 2.303188 ESP Fit Center 926 is at 0.480599 -0.056914 2.303188 ESP Fit Center 927 is at 0.365288 -0.468468 2.303188 ESP Fit Center 928 is at 0.365288 -0.895870 2.303188 ESP Fit Center 929 is at 0.480599 -1.307423 2.303188 ESP Fit Center 930 is at 0.702671 -1.672604 2.303188 ESP Fit Center 931 is at 1.015032 -1.964329 2.303188 ESP Fit Center 932 is at 1.394516 -2.160962 2.303188 ESP Fit Center 933 is at 1.812979 -2.247920 2.303188 ESP Fit Center 934 is at 2.239386 -2.218753 2.303188 ESP Fit Center 935 is at 2.642110 -2.075625 2.303188 ESP Fit Center 936 is at 2.991285 -1.829150 2.303188 ESP Fit Center 937 is at 3.261014 -1.497609 2.303188 ESP Fit Center 938 is at 3.431291 -1.105591 2.303188 ESP Fit Center 939 is at 3.815041 -0.682169 2.043569 ESP Fit Center 940 is at 3.767530 -0.260500 2.043569 ESP Fit Center 941 is at 3.627381 0.140024 2.043569 ESP Fit Center 942 is at 3.401620 0.499320 2.043569 ESP Fit Center 943 is at 3.101569 0.799371 2.043569 ESP Fit Center 944 is at 2.742273 1.025132 2.043569 ESP Fit Center 945 is at 0.212779 0.140024 2.043569 ESP Fit Center 946 is at 0.072629 -1.103837 2.043569 ESP Fit Center 947 is at 0.212779 -1.504362 2.043569 ESP Fit Center 948 is at 0.438539 -1.863658 2.043569 ESP Fit Center 949 is at 0.738591 -2.163709 2.043569 ESP Fit Center 950 is at 1.097887 -2.389470 2.043569 ESP Fit Center 951 is at 1.498411 -2.529620 2.043569 ESP Fit Center 952 is at 1.920080 -2.577130 2.043569 ESP Fit Center 953 is at 2.341748 -2.529620 2.043569 ESP Fit Center 954 is at 2.742273 -2.389470 2.043569 ESP Fit Center 955 is at 3.101569 -2.163709 2.043569 ESP Fit Center 956 is at 3.401620 -1.863658 2.043569 ESP Fit Center 957 is at 3.627381 -1.504362 2.043569 ESP Fit Center 958 is at 3.767530 -1.103837 2.043569 ESP Fit Center 959 is at 4.098262 -0.682169 1.738329 ESP Fit Center 960 is at 4.056409 -0.257227 1.738329 ESP Fit Center 961 is at 3.932458 0.151385 1.738329 ESP Fit Center 962 is at 3.731172 0.527964 1.738329 ESP Fit Center 963 is at 3.460287 0.858039 1.738329 ESP Fit Center 964 is at 3.130213 1.128924 1.738329 ESP Fit Center 965 is at 0.379872 -2.222377 1.738329 ESP Fit Center 966 is at 0.709946 -2.493261 1.738329 ESP Fit Center 967 is at 1.086525 -2.694547 1.738329 ESP Fit Center 968 is at 1.495137 -2.818498 1.738329 ESP Fit Center 969 is at 1.920080 -2.860351 1.738329 ESP Fit Center 970 is at 2.345022 -2.818498 1.738329 ESP Fit Center 971 is at 2.753634 -2.694547 1.738329 ESP Fit Center 972 is at 3.130213 -2.493261 1.738329 ESP Fit Center 973 is at 3.460287 -2.222377 1.738329 ESP Fit Center 974 is at 3.731172 -1.892302 1.738329 ESP Fit Center 975 is at 3.932458 -1.515723 1.738329 ESP Fit Center 976 is at 4.056409 -1.107111 1.738329 ESP Fit Center 977 is at 4.332826 -0.682169 1.394287 ESP Fit Center 978 is at 4.296171 -0.263200 1.394287 ESP Fit Center 979 is at 4.187320 0.143039 1.394287 ESP Fit Center 980 is at 4.009580 0.524204 1.394287 ESP Fit Center 981 is at 3.768351 0.868715 1.394287 ESP Fit Center 982 is at 3.470963 1.166102 1.394287 ESP Fit Center 983 is at 3.126453 1.407331 1.394287 ESP Fit Center 984 is at 0.713706 -2.771669 1.394287 ESP Fit Center 985 is at 1.094872 -2.949409 1.394287 ESP Fit Center 986 is at 1.501111 -3.058261 1.394287 ESP Fit Center 987 is at 1.920080 -3.094916 1.394287 ESP Fit Center 988 is at 2.339049 -3.058261 1.394287 ESP Fit Center 989 is at 2.745288 -2.949409 1.394287 ESP Fit Center 990 is at 3.126453 -2.771669 1.394287 ESP Fit Center 991 is at 3.470963 -2.530440 1.394287 ESP Fit Center 992 is at 3.768351 -2.233053 1.394287 ESP Fit Center 993 is at 4.009580 -1.888542 1.394287 ESP Fit Center 994 is at 4.187320 -1.507377 1.394287 ESP Fit Center 995 is at 4.296171 -1.101138 1.394287 ESP Fit Center 996 is at 4.513494 -0.682169 1.019127 ESP Fit Center 997 is at 4.479910 -0.266156 1.019127 ESP Fit Center 998 is at 4.380028 0.139082 1.019127 ESP Fit Center 999 is at 4.216434 0.523051 1.019127 ESP Fit Center 1000 is at 3.993366 0.875805 1.019127 ESP Fit Center 1001 is at 3.716601 1.188208 1.019127 ESP Fit Center 1002 is at 3.393307 1.452169 1.019127 ESP Fit Center 1003 is at 3.031857 1.660852 1.019127 ESP Fit Center 1004 is at 1.000442 -3.107053 1.019127 ESP Fit Center 1005 is at 1.401330 -3.223172 1.019127 ESP Fit Center 1006 is at 1.815653 -3.273480 1.019127 ESP Fit Center 1007 is at 2.232681 -3.256674 1.019127 ESP Fit Center 1008 is at 2.641613 -3.173190 1.019127 ESP Fit Center 1009 is at 3.031857 -3.025190 1.019127 ESP Fit Center 1010 is at 3.393307 -2.816507 1.019127 ESP Fit Center 1011 is at 3.716601 -2.552546 1.019127 ESP Fit Center 1012 is at 3.993366 -2.240142 1.019127 ESP Fit Center 1013 is at 4.216434 -1.887389 1.019127 ESP Fit Center 1014 is at 4.380028 -1.503420 1.019127 ESP Fit Center 1015 is at 4.479910 -1.098182 1.019127 ESP Fit Center 1016 is at 4.636229 -0.682169 0.621230 ESP Fit Center 1017 is at 4.602789 -0.257270 0.621230 ESP Fit Center 1018 is at 4.503291 0.157167 0.621230 ESP Fit Center 1019 is at 4.340186 0.550937 0.621230 ESP Fit Center 1020 is at 4.117491 0.914344 0.621230 ESP Fit Center 1021 is at 3.840687 1.238439 0.621230 ESP Fit Center 1022 is at 3.516592 1.515242 0.621230 ESP Fit Center 1023 is at 3.153186 1.737938 0.621230 ESP Fit Center 1024 is at 2.759416 1.901042 0.621230 ESP Fit Center 1025 is at 1.080743 -3.265380 0.621230 ESP Fit Center 1026 is at 1.495180 -3.364878 0.621230 ESP Fit Center 1027 is at 1.920080 -3.398318 0.621230 ESP Fit Center 1028 is at 2.344979 -3.364878 0.621230 ESP Fit Center 1029 is at 2.759416 -3.265380 0.621230 ESP Fit Center 1030 is at 3.153186 -3.102276 0.621230 ESP Fit Center 1031 is at 3.516592 -2.879580 0.621230 ESP Fit Center 1032 is at 3.840687 -2.602776 0.621230 ESP Fit Center 1033 is at 4.117491 -2.278681 0.621230 ESP Fit Center 1034 is at 4.340186 -1.915275 0.621230 ESP Fit Center 1035 is at 4.503291 -1.521505 0.621230 ESP Fit Center 1036 is at 4.602789 -1.107068 0.621230 ESP Fit Center 1037 is at 4.698289 -0.682169 0.209485 ESP Fit Center 1038 is at 4.665730 -0.258077 0.209485 ESP Fit Center 1039 is at 4.568815 0.156074 0.209485 ESP Fit Center 1040 is at 4.409816 0.550578 0.209485 ESP Fit Center 1041 is at 4.192459 0.916187 0.209485 ESP Fit Center 1042 is at 3.921840 1.244332 0.209485 ESP Fit Center 1043 is at 3.604301 1.527322 0.209485 ESP Fit Center 1044 is at 3.247286 1.758522 0.209485 ESP Fit Center 1045 is at 2.859162 1.932516 0.209485 ESP Fit Center 1046 is at 2.449026 2.045223 0.209485 ESP Fit Center 1047 is at 1.183906 -3.361067 0.209485 ESP Fit Center 1048 is at 1.601465 -3.442048 0.209485 ESP Fit Center 1049 is at 2.026493 -3.458340 0.209485 ESP Fit Center 1050 is at 2.449026 -3.409561 0.209485 ESP Fit Center 1051 is at 2.859162 -3.296853 0.209485 ESP Fit Center 1052 is at 3.247286 -3.122860 0.209485 ESP Fit Center 1053 is at 3.604301 -2.891659 0.209485 ESP Fit Center 1054 is at 3.921840 -2.608670 0.209485 ESP Fit Center 1055 is at 4.192459 -2.280525 0.209485 ESP Fit Center 1056 is at 4.409816 -1.914916 0.209485 ESP Fit Center 1057 is at 4.568815 -1.520412 0.209485 ESP Fit Center 1058 is at 4.665730 -1.106261 0.209485 ESP Fit Center 1059 is at 4.698289 -0.682169 -0.206911 ESP Fit Center 1060 is at 4.665730 -0.258077 -0.206911 ESP Fit Center 1061 is at 4.568815 0.156074 -0.206911 ESP Fit Center 1062 is at 4.409816 0.550578 -0.206911 ESP Fit Center 1063 is at 4.192459 0.916187 -0.206911 ESP Fit Center 1064 is at 3.921840 1.244332 -0.206911 ESP Fit Center 1065 is at 3.604301 1.527322 -0.206911 ESP Fit Center 1066 is at 3.247286 1.758522 -0.206911 ESP Fit Center 1067 is at 2.859162 1.932516 -0.206911 ESP Fit Center 1068 is at 1.183906 -3.361067 -0.206911 ESP Fit Center 1069 is at 1.601465 -3.442048 -0.206911 ESP Fit Center 1070 is at 2.026493 -3.458340 -0.206911 ESP Fit Center 1071 is at 2.449026 -3.409561 -0.206911 ESP Fit Center 1072 is at 2.859162 -3.296853 -0.206911 ESP Fit Center 1073 is at 3.247286 -3.122860 -0.206911 ESP Fit Center 1074 is at 3.604301 -2.891659 -0.206911 ESP Fit Center 1075 is at 3.921840 -2.608670 -0.206911 ESP Fit Center 1076 is at 4.192459 -2.280525 -0.206911 ESP Fit Center 1077 is at 4.409816 -1.914916 -0.206911 ESP Fit Center 1078 is at 4.568815 -1.520412 -0.206911 ESP Fit Center 1079 is at 4.665730 -1.106261 -0.206911 ESP Fit Center 1080 is at 4.636229 -0.682169 -0.618657 ESP Fit Center 1081 is at 4.602789 -0.257270 -0.618657 ESP Fit Center 1082 is at 4.503291 0.157167 -0.618657 ESP Fit Center 1083 is at 4.340186 0.550937 -0.618657 ESP Fit Center 1084 is at 4.117491 0.914344 -0.618657 ESP Fit Center 1085 is at 3.840687 1.238439 -0.618657 ESP Fit Center 1086 is at 3.516592 1.515242 -0.618657 ESP Fit Center 1087 is at 3.153186 1.737938 -0.618657 ESP Fit Center 1088 is at 2.759416 1.901042 -0.618657 ESP Fit Center 1089 is at 1.080743 -3.265380 -0.618657 ESP Fit Center 1090 is at 1.495180 -3.364878 -0.618657 ESP Fit Center 1091 is at 1.920080 -3.398318 -0.618657 ESP Fit Center 1092 is at 2.344979 -3.364878 -0.618657 ESP Fit Center 1093 is at 2.759416 -3.265380 -0.618657 ESP Fit Center 1094 is at 3.153186 -3.102276 -0.618657 ESP Fit Center 1095 is at 3.516592 -2.879580 -0.618657 ESP Fit Center 1096 is at 3.840687 -2.602776 -0.618657 ESP Fit Center 1097 is at 4.117491 -2.278681 -0.618657 ESP Fit Center 1098 is at 4.340186 -1.915275 -0.618657 ESP Fit Center 1099 is at 4.503291 -1.521505 -0.618657 ESP Fit Center 1100 is at 4.602789 -1.107068 -0.618657 ESP Fit Center 1101 is at 4.513494 -0.682169 -1.016553 ESP Fit Center 1102 is at 4.479910 -0.266156 -1.016553 ESP Fit Center 1103 is at 4.380028 0.139082 -1.016553 ESP Fit Center 1104 is at 4.216434 0.523051 -1.016553 ESP Fit Center 1105 is at 3.993366 0.875805 -1.016553 ESP Fit Center 1106 is at 3.716601 1.188208 -1.016553 ESP Fit Center 1107 is at 3.393307 1.452169 -1.016553 ESP Fit Center 1108 is at 3.031857 1.660852 -1.016553 ESP Fit Center 1109 is at 1.000442 -3.107053 -1.016553 ESP Fit Center 1110 is at 1.401330 -3.223172 -1.016553 ESP Fit Center 1111 is at 1.815653 -3.273480 -1.016553 ESP Fit Center 1112 is at 2.232681 -3.256674 -1.016553 ESP Fit Center 1113 is at 2.641613 -3.173190 -1.016553 ESP Fit Center 1114 is at 3.031857 -3.025190 -1.016553 ESP Fit Center 1115 is at 3.393307 -2.816507 -1.016553 ESP Fit Center 1116 is at 3.716601 -2.552546 -1.016553 ESP Fit Center 1117 is at 3.993366 -2.240142 -1.016553 ESP Fit Center 1118 is at 4.216434 -1.887389 -1.016553 ESP Fit Center 1119 is at 4.380028 -1.503420 -1.016553 ESP Fit Center 1120 is at 4.479910 -1.098182 -1.016553 ESP Fit Center 1121 is at 4.332826 -0.682169 -1.391713 ESP Fit Center 1122 is at 4.296171 -0.263200 -1.391713 ESP Fit Center 1123 is at 4.187320 0.143039 -1.391713 ESP Fit Center 1124 is at 4.009580 0.524204 -1.391713 ESP Fit Center 1125 is at 3.768351 0.868715 -1.391713 ESP Fit Center 1126 is at 3.470963 1.166102 -1.391713 ESP Fit Center 1127 is at 3.126453 1.407331 -1.391713 ESP Fit Center 1128 is at 2.745288 1.585071 -1.391713 ESP Fit Center 1129 is at 0.369196 -2.530440 -1.391713 ESP Fit Center 1130 is at 0.713706 -2.771669 -1.391713 ESP Fit Center 1131 is at 1.094872 -2.949409 -1.391713 ESP Fit Center 1132 is at 1.501111 -3.058261 -1.391713 ESP Fit Center 1133 is at 1.920080 -3.094916 -1.391713 ESP Fit Center 1134 is at 2.339049 -3.058261 -1.391713 ESP Fit Center 1135 is at 2.745288 -2.949409 -1.391713 ESP Fit Center 1136 is at 3.126453 -2.771669 -1.391713 ESP Fit Center 1137 is at 3.470963 -2.530440 -1.391713 ESP Fit Center 1138 is at 3.768351 -2.233053 -1.391713 ESP Fit Center 1139 is at 4.009580 -1.888542 -1.391713 ESP Fit Center 1140 is at 4.187320 -1.507377 -1.391713 ESP Fit Center 1141 is at 4.296171 -1.101138 -1.391713 ESP Fit Center 1142 is at 4.098262 -0.682169 -1.735756 ESP Fit Center 1143 is at 4.056409 -0.257227 -1.735756 ESP Fit Center 1144 is at 3.932458 0.151385 -1.735756 ESP Fit Center 1145 is at 3.731172 0.527964 -1.735756 ESP Fit Center 1146 is at 3.460287 0.858039 -1.735756 ESP Fit Center 1147 is at 3.130213 1.128924 -1.735756 ESP Fit Center 1148 is at 2.753634 1.330209 -1.735756 ESP Fit Center 1149 is at 0.379872 -2.222377 -1.735756 ESP Fit Center 1150 is at 0.709946 -2.493261 -1.735756 ESP Fit Center 1151 is at 1.086525 -2.694547 -1.735756 ESP Fit Center 1152 is at 1.495137 -2.818498 -1.735756 ESP Fit Center 1153 is at 1.920080 -2.860351 -1.735756 ESP Fit Center 1154 is at 2.345022 -2.818498 -1.735756 ESP Fit Center 1155 is at 2.753634 -2.694547 -1.735756 ESP Fit Center 1156 is at 3.130213 -2.493261 -1.735756 ESP Fit Center 1157 is at 3.460287 -2.222377 -1.735756 ESP Fit Center 1158 is at 3.731172 -1.892302 -1.735756 ESP Fit Center 1159 is at 3.932458 -1.515723 -1.735756 ESP Fit Center 1160 is at 4.056409 -1.107111 -1.735756 ESP Fit Center 1161 is at 3.815041 -0.682169 -2.040996 ESP Fit Center 1162 is at 3.767530 -0.260500 -2.040996 ESP Fit Center 1163 is at 3.627381 0.140024 -2.040996 ESP Fit Center 1164 is at 3.401620 0.499320 -2.040996 ESP Fit Center 1165 is at 3.101569 0.799371 -2.040996 ESP Fit Center 1166 is at 2.742273 1.025132 -2.040996 ESP Fit Center 1167 is at 2.341748 1.165282 -2.040996 ESP Fit Center 1168 is at 0.212779 0.140024 -2.040996 ESP Fit Center 1169 is at 0.072629 -1.103837 -2.040996 ESP Fit Center 1170 is at 0.212779 -1.504362 -2.040996 ESP Fit Center 1171 is at 0.438539 -1.863658 -2.040996 ESP Fit Center 1172 is at 0.738591 -2.163709 -2.040996 ESP Fit Center 1173 is at 1.097887 -2.389470 -2.040996 ESP Fit Center 1174 is at 1.498411 -2.529620 -2.040996 ESP Fit Center 1175 is at 1.920080 -2.577130 -2.040996 ESP Fit Center 1176 is at 2.341748 -2.529620 -2.040996 ESP Fit Center 1177 is at 2.742273 -2.389470 -2.040996 ESP Fit Center 1178 is at 3.101569 -2.163709 -2.040996 ESP Fit Center 1179 is at 3.401620 -1.863658 -2.040996 ESP Fit Center 1180 is at 3.627381 -1.504362 -2.040996 ESP Fit Center 1181 is at 3.767530 -1.103837 -2.040996 ESP Fit Center 1182 is at 3.489489 -0.682169 -2.300614 ESP Fit Center 1183 is at 3.431291 -0.258747 -2.300614 ESP Fit Center 1184 is at 3.261014 0.133271 -2.300614 ESP Fit Center 1185 is at 2.991285 0.464812 -2.300614 ESP Fit Center 1186 is at 2.642110 0.711287 -2.300614 ESP Fit Center 1187 is at 2.239386 0.854415 -2.300614 ESP Fit Center 1188 is at 1.812979 0.883582 -2.300614 ESP Fit Center 1189 is at 1.015032 0.599992 -2.300614 ESP Fit Center 1190 is at 0.702671 0.308267 -2.300614 ESP Fit Center 1191 is at 0.480599 -0.056914 -2.300614 ESP Fit Center 1192 is at 0.365288 -0.468468 -2.300614 ESP Fit Center 1193 is at 0.365288 -0.895870 -2.300614 ESP Fit Center 1194 is at 0.480599 -1.307423 -2.300614 ESP Fit Center 1195 is at 0.702671 -1.672604 -2.300614 ESP Fit Center 1196 is at 1.015032 -1.964329 -2.300614 ESP Fit Center 1197 is at 1.394516 -2.160962 -2.300614 ESP Fit Center 1198 is at 1.812979 -2.247920 -2.300614 ESP Fit Center 1199 is at 2.239386 -2.218753 -2.300614 ESP Fit Center 1200 is at 2.642110 -2.075625 -2.300614 ESP Fit Center 1201 is at 2.991285 -1.829150 -2.300614 ESP Fit Center 1202 is at 3.261014 -1.497609 -2.300614 ESP Fit Center 1203 is at 3.431291 -1.105591 -2.300614 ESP Fit Center 1204 is at 3.128880 -0.682169 -2.508812 ESP Fit Center 1205 is at 3.055980 -0.268735 -2.508812 ESP Fit Center 1206 is at 2.846074 0.094833 -2.508812 ESP Fit Center 1207 is at 2.524480 0.364683 -2.508812 ESP Fit Center 1208 is at 2.129986 0.508267 -2.508812 ESP Fit Center 1209 is at 1.710174 0.508267 -2.508812 ESP Fit Center 1210 is at 1.315680 0.364683 -2.508812 ESP Fit Center 1211 is at 0.994085 0.094833 -2.508812 ESP Fit Center 1212 is at 0.784179 -0.268735 -2.508812 ESP Fit Center 1213 is at 0.711280 -0.682169 -2.508812 ESP Fit Center 1214 is at 0.784179 -1.095603 -2.508812 ESP Fit Center 1215 is at 0.994085 -1.459171 -2.508812 ESP Fit Center 1216 is at 1.315680 -1.729020 -2.508812 ESP Fit Center 1217 is at 1.710174 -1.872605 -2.508812 ESP Fit Center 1218 is at 2.129986 -1.872605 -2.508812 ESP Fit Center 1219 is at 2.524480 -1.729020 -2.508812 ESP Fit Center 1220 is at 2.846074 -1.459171 -2.508812 ESP Fit Center 1221 is at 3.055980 -1.095603 -2.508812 ESP Fit Center 1222 is at 2.741268 -0.682169 -2.660939 ESP Fit Center 1223 is at 2.631249 -0.271575 -2.660939 ESP Fit Center 1224 is at 2.330674 0.029001 -2.660939 ESP Fit Center 1225 is at 1.920080 0.139019 -2.660939 ESP Fit Center 1226 is at 1.509486 0.029001 -2.660939 ESP Fit Center 1227 is at 1.208910 -0.271575 -2.660939 ESP Fit Center 1228 is at 1.098892 -0.682169 -2.660939 ESP Fit Center 1229 is at 1.208910 -1.092763 -2.660939 ESP Fit Center 1230 is at 1.509486 -1.393339 -2.660939 ESP Fit Center 1231 is at 1.920080 -1.503357 -2.660939 ESP Fit Center 1232 is at 2.330674 -1.393339 -2.660939 ESP Fit Center 1233 is at 2.631249 -1.092763 -2.660939 ESP Fit Center 1234 is at 2.335311 -0.682169 -2.753596 ESP Fit Center 1235 is at 2.127696 -0.322568 -2.753596 ESP Fit Center 1236 is at 1.712464 -0.322568 -2.753596 ESP Fit Center 1237 is at 1.504848 -0.682169 -2.753596 ESP Fit Center 1238 is at 1.712464 -1.041770 -2.753596 ESP Fit Center 1239 is at 2.127696 -1.041770 -2.753596 ESP Fit Center 1240 is at 1.920080 -0.682169 -2.784713 ESP Fit Center 1241 is at 0.010525 -2.583308 1.713437 ESP Fit Center 1242 is at -0.641699 -2.959870 1.713437 ESP Fit Center 1243 is at -0.206883 -2.959870 1.713437 ESP Fit Center 1244 is at 0.415709 -2.583308 1.545604 ESP Fit Center 1245 is at -0.844291 -3.310769 1.545604 ESP Fit Center 1246 is at -0.424291 -3.423308 1.545604 ESP Fit Center 1247 is at -0.004291 -3.310769 1.545604 ESP Fit Center 1248 is at 0.303170 -3.003308 1.545604 ESP Fit Center 1249 is at -1.140185 -3.531304 1.278621 ESP Fit Center 1250 is at -0.749386 -3.725899 1.278621 ESP Fit Center 1251 is at -0.314682 -3.766180 1.278621 ESP Fit Center 1252 is at 0.105219 -3.646708 1.278621 ESP Fit Center 1253 is at 0.453606 -3.383618 1.278621 ESP Fit Center 1254 is at 0.683429 -3.012441 1.278621 ESP Fit Center 1255 is at -1.490825 -3.572907 0.930681 ESP Fit Center 1256 is at -1.151753 -3.843308 0.930681 ESP Fit Center 1257 is at -0.748042 -4.001753 0.930681 ESP Fit Center 1258 is at -0.315565 -4.034163 0.930681 ESP Fit Center 1259 is at 0.107252 -3.937657 0.930681 ESP Fit Center 1260 is at 0.482838 -3.720812 0.930681 ESP Fit Center 1261 is at 0.777822 -3.402895 0.930681 ESP Fit Center 1262 is at -1.235669 -3.988655 0.525497 ESP Fit Center 1263 is at -0.844291 -4.150769 0.525497 ESP Fit Center 1264 is at -0.424291 -4.206063 0.525497 ESP Fit Center 1265 is at -0.004291 -4.150769 0.525497 ESP Fit Center 1266 is at 0.387086 -3.988655 0.525497 ESP Fit Center 1267 is at 0.723170 -3.730769 0.525497 ESP Fit Center 1268 is at 0.981056 -3.394686 0.525497 ESP Fit Center 1269 is at -1.495164 -3.877770 0.090681 ESP Fit Center 1270 is at -1.139601 -4.103418 0.090681 ESP Fit Center 1271 is at -0.739092 -4.233551 0.090681 ESP Fit Center 1272 is at -0.318803 -4.259993 0.090681 ESP Fit Center 1273 is at 0.094857 -4.181083 0.090681 ESP Fit Center 1274 is at 0.475898 -4.001779 0.090681 ESP Fit Center 1275 is at 0.800376 -3.733347 0.090681 ESP Fit Center 1276 is at 1.047904 -3.392654 0.090681 ESP Fit Center 1277 is at -1.235669 -3.988655 -0.344135 ESP Fit Center 1278 is at -0.844291 -4.150769 -0.344135 ESP Fit Center 1279 is at -0.424291 -4.206063 -0.344135 ESP Fit Center 1280 is at -0.004291 -4.150769 -0.344135 ESP Fit Center 1281 is at 0.387086 -3.988655 -0.344135 ESP Fit Center 1282 is at 0.723170 -3.730769 -0.344135 ESP Fit Center 1283 is at 0.981056 -3.394686 -0.344135 ESP Fit Center 1284 is at -1.490825 -3.572907 -0.749319 ESP Fit Center 1285 is at -1.151753 -3.843308 -0.749319 ESP Fit Center 1286 is at -0.748042 -4.001753 -0.749319 ESP Fit Center 1287 is at -0.315565 -4.034163 -0.749319 ESP Fit Center 1288 is at 0.107252 -3.937657 -0.749319 ESP Fit Center 1289 is at 0.482838 -3.720812 -0.749319 ESP Fit Center 1290 is at 0.777822 -3.402895 -0.749319 ESP Fit Center 1291 is at -1.140185 -3.531304 -1.097258 ESP Fit Center 1292 is at -0.749386 -3.725899 -1.097258 ESP Fit Center 1293 is at -0.314682 -3.766180 -1.097258 ESP Fit Center 1294 is at 0.105219 -3.646708 -1.097258 ESP Fit Center 1295 is at 0.453606 -3.383618 -1.097258 ESP Fit Center 1296 is at 0.683429 -3.012441 -1.097258 ESP Fit Center 1297 is at -0.844291 -3.310769 -1.364242 ESP Fit Center 1298 is at -0.424291 -3.423308 -1.364242 ESP Fit Center 1299 is at -0.004291 -3.310769 -1.364242 ESP Fit Center 1300 is at 0.303170 -3.003308 -1.364242 ESP Fit Center 1301 is at -0.206883 -2.959870 -1.532074 ESP Fit Center 1302 is at 1.303644 1.839284 3.213673 ESP Fit Center 1303 is at 1.738460 1.839284 3.156428 ESP Fit Center 1304 is at 1.521052 2.215846 3.156428 ESP Fit Center 1305 is at 1.086236 1.462722 3.156428 ESP Fit Center 1306 is at 1.521052 1.462722 3.156428 ESP Fit Center 1307 is at 2.143644 1.839284 2.988595 ESP Fit Center 1308 is at 2.031105 2.259284 2.988595 ESP Fit Center 1309 is at 1.723644 2.566745 2.988595 ESP Fit Center 1310 is at 0.883644 1.111823 2.988595 ESP Fit Center 1311 is at 1.303644 0.999284 2.988595 ESP Fit Center 1312 is at 1.723644 1.111823 2.988595 ESP Fit Center 1313 is at 2.031105 1.419284 2.988595 ESP Fit Center 1314 is at 2.491583 1.839284 2.721612 ESP Fit Center 1315 is at 2.411364 2.268417 2.721612 ESP Fit Center 1316 is at 2.181541 2.639593 2.721612 ESP Fit Center 1317 is at 0.587750 0.891288 2.721612 ESP Fit Center 1318 is at 0.978548 0.696693 2.721612 ESP Fit Center 1319 is at 1.413253 0.656412 2.721612 ESP Fit Center 1320 is at 1.833154 0.775884 2.721612 ESP Fit Center 1321 is at 2.181541 1.038974 2.721612 ESP Fit Center 1322 is at 2.411364 1.410151 2.721612 ESP Fit Center 1323 is at 2.758566 1.839284 2.373673 ESP Fit Center 1324 is at 2.693928 2.268130 2.373673 ESP Fit Center 1325 is at 2.505757 2.658871 2.373673 ESP Fit Center 1326 is at 0.576182 0.579284 2.373673 ESP Fit Center 1327 is at 2.505757 1.019697 2.373673 ESP Fit Center 1328 is at 2.693928 1.410438 2.373673 ESP Fit Center 1329 is at 2.926399 1.839284 1.968489 ESP Fit Center 1330 is at 2.871105 2.259284 1.968489 ESP Fit Center 1331 is at 2.708991 2.650662 1.968489 ESP Fit Center 1332 is at 2.451105 2.986745 1.968489 ESP Fit Center 1333 is at 2.871105 1.419284 1.968489 ESP Fit Center 1334 is at 2.983644 1.839284 1.533673 ESP Fit Center 1335 is at 2.930863 2.257083 1.533673 ESP Fit Center 1336 is at 2.775839 2.648630 1.533673 ESP Fit Center 1337 is at 2.528311 2.989323 1.533673 ESP Fit Center 1338 is at 2.930863 1.421485 1.533673 ESP Fit Center 1339 is at 2.926399 1.839284 1.098857 ESP Fit Center 1340 is at 2.871105 2.259284 1.098857 ESP Fit Center 1341 is at 2.708991 2.650662 1.098857 ESP Fit Center 1342 is at 2.693928 2.268130 0.693673 ESP Fit Center 1343 is at 2.411364 2.268417 0.345733 ESP Fit Center 1344 is at 0.627291 3.958402 -1.982179 ESP Fit Center 1345 is at 0.207003 3.931960 -1.982179 ESP Fit Center 1346 is at -0.193506 3.801826 -1.982179 ESP Fit Center 1347 is at -0.549069 3.576179 -1.982179 ESP Fit Center 1348 is at -0.837345 3.269196 -1.982179 ESP Fit Center 1349 is at -1.144949 2.492277 -1.982179 ESP Fit Center 1350 is at -1.144949 2.071157 -1.982179 ESP Fit Center 1351 is at -1.040221 1.663268 -1.982179 ESP Fit Center 1352 is at 1.669265 3.429178 -2.416995 ESP Fit Center 1353 is at 1.333181 3.687064 -2.416995 ESP Fit Center 1354 is at 0.941803 3.849178 -2.416995 ESP Fit Center 1355 is at 0.521803 3.904472 -2.416995 ESP Fit Center 1356 is at 0.101803 3.849178 -2.416995 ESP Fit Center 1357 is at -0.289574 3.687064 -2.416995 ESP Fit Center 1358 is at -0.625658 3.429178 -2.416995 ESP Fit Center 1359 is at -0.883544 3.093095 -2.416995 ESP Fit Center 1360 is at -1.045658 2.701717 -2.416995 ESP Fit Center 1361 is at -1.100952 2.281717 -2.416995 ESP Fit Center 1362 is at -1.045658 1.861717 -2.416995 ESP Fit Center 1363 is at -0.883544 1.470339 -2.416995 ESP Fit Center 1364 is at -0.625658 1.134256 -2.416995 ESP Fit Center 1365 is at -0.289574 0.876370 -2.416995 ESP Fit Center 1366 is at 0.101803 0.714256 -2.416995 ESP Fit Center 1367 is at 0.521803 0.658962 -2.416995 ESP Fit Center 1368 is at 1.976726 2.281717 -2.822179 ESP Fit Center 1369 is at 1.912088 2.710563 -2.822179 ESP Fit Center 1370 is at 1.723917 3.101304 -2.822179 ESP Fit Center 1371 is at 1.428933 3.419221 -2.822179 ESP Fit Center 1372 is at 1.053346 3.636066 -2.822179 ESP Fit Center 1373 is at 0.630530 3.732571 -2.822179 ESP Fit Center 1374 is at 0.198053 3.700162 -2.822179 ESP Fit Center 1375 is at -0.205658 3.541717 -2.822179 ESP Fit Center 1376 is at -0.544731 3.271316 -2.822179 ESP Fit Center 1377 is at -0.789037 2.912984 -2.822179 ESP Fit Center 1378 is at -0.916869 2.498562 -2.822179 ESP Fit Center 1379 is at -0.916869 2.064872 -2.822179 ESP Fit Center 1380 is at -0.789037 1.650450 -2.822179 ESP Fit Center 1381 is at -0.544731 1.292118 -2.822179 ESP Fit Center 1382 is at -0.205658 1.021717 -2.822179 ESP Fit Center 1383 is at 0.198053 0.863272 -2.822179 ESP Fit Center 1384 is at 0.630530 0.830863 -2.822179 ESP Fit Center 1385 is at 1.053346 0.927368 -2.822179 ESP Fit Center 1386 is at 1.428933 1.144213 -2.822179 ESP Fit Center 1387 is at 1.723917 1.462130 -2.822179 ESP Fit Center 1388 is at 1.912088 1.852871 -2.822179 ESP Fit Center 1389 is at 1.709743 2.281717 -3.170118 ESP Fit Center 1390 is at 1.629524 2.710850 -3.170118 ESP Fit Center 1391 is at 1.399701 3.082027 -3.170118 ESP Fit Center 1392 is at 1.051313 3.345117 -3.170118 ESP Fit Center 1393 is at 0.631412 3.464589 -3.170118 ESP Fit Center 1394 is at 0.196708 3.424308 -3.170118 ESP Fit Center 1395 is at -0.194090 3.229713 -3.170118 ESP Fit Center 1396 is at -0.488203 2.907087 -3.170118 ESP Fit Center 1397 is at -0.645909 2.500000 -3.170118 ESP Fit Center 1398 is at -0.645909 2.063434 -3.170118 ESP Fit Center 1399 is at -0.488203 1.656348 -3.170118 ESP Fit Center 1400 is at -0.194090 1.333721 -3.170118 ESP Fit Center 1401 is at 0.196708 1.139126 -3.170118 ESP Fit Center 1402 is at 0.631412 1.098845 -3.170118 ESP Fit Center 1403 is at 1.051313 1.218317 -3.170118 ESP Fit Center 1404 is at 1.399701 1.481407 -3.170118 ESP Fit Center 1405 is at 1.629524 1.852584 -3.170118 ESP Fit Center 1406 is at 1.361803 2.281717 -3.437101 ESP Fit Center 1407 is at 1.249265 2.701717 -3.437101 ESP Fit Center 1408 is at 0.941803 3.009178 -3.437101 ESP Fit Center 1409 is at 0.521803 3.121717 -3.437101 ESP Fit Center 1410 is at 0.101803 3.009178 -3.437101 ESP Fit Center 1411 is at -0.205658 2.701717 -3.437101 ESP Fit Center 1412 is at -0.318197 2.281717 -3.437101 ESP Fit Center 1413 is at -0.205658 1.861717 -3.437101 ESP Fit Center 1414 is at 0.101803 1.554256 -3.437101 ESP Fit Center 1415 is at 0.521803 1.441717 -3.437101 ESP Fit Center 1416 is at 0.941803 1.554256 -3.437101 ESP Fit Center 1417 is at 1.249265 1.861717 -3.437101 ESP Fit Center 1418 is at 0.956619 2.281717 -3.604934 ESP Fit Center 1419 is at 0.739211 2.658279 -3.604934 ESP Fit Center 1420 is at 0.304395 2.658279 -3.604934 ESP Fit Center 1421 is at 0.086987 2.281717 -3.604934 ESP Fit Center 1422 is at 0.304395 1.905155 -3.604934 ESP Fit Center 1423 is at 0.739211 1.905155 -3.604934 ESP Fit Center 1424 is at 0.521803 2.281717 -3.662179 ESP Fit Center 1425 is at 0.182972 4.477585 -0.502553 ESP Fit Center 1426 is at 0.914761 2.509191 3.621389 ESP Fit Center 1427 is at 1.318854 2.509191 3.513113 ESP Fit Center 1428 is at 1.208881 2.919615 3.513113 ESP Fit Center 1429 is at 0.908430 3.220066 3.513113 ESP Fit Center 1430 is at 0.908430 1.798315 3.513113 ESP Fit Center 1431 is at 1.208881 2.098766 3.513113 ESP Fit Center 1432 is at 1.698006 2.509191 3.336311 ESP Fit Center 1433 is at 1.625637 2.919615 3.336311 ESP Fit Center 1434 is at 1.417259 3.280536 3.336311 ESP Fit Center 1435 is at 1.098006 3.548421 3.336311 ESP Fit Center 1436 is at 0.706383 3.690960 3.336311 ESP Fit Center 1437 is at 0.706383 1.327421 3.336311 ESP Fit Center 1438 is at 1.983489 2.925403 3.096357 ESP Fit Center 1439 is at 1.816110 3.310748 3.096357 ESP Fit Center 1440 is at 1.550974 3.636644 3.096357 ESP Fit Center 1441 is at 1.207743 3.878922 3.096357 ESP Fit Center 1442 is at 0.811875 4.019614 3.096357 ESP Fit Center 1443 is at 0.392729 4.048284 3.096357 ESP Fit Center 1444 is at 0.392729 0.970097 3.096357 ESP Fit Center 1445 is at 2.286955 2.933179 2.800541 ESP Fit Center 1446 is at 2.140955 3.334311 2.800541 ESP Fit Center 1447 is at -0.029284 4.270461 2.800541 ESP Fit Center 1448 is at -0.029284 0.747920 2.800541 ESP Fit Center 1449 is at 0.391106 0.673794 2.800541 ESP Fit Center 1450 is at 2.408023 3.328844 2.457851 ESP Fit Center 1451 is at -0.417337 4.375242 2.457851 ESP Fit Center 1452 is at -0.022966 0.497080 2.457851 ESP Fit Center 1453 is at 2.591719 3.347387 2.078699 ESP Fit Center 1454 is at -0.629626 4.462305 2.078699 ESP Fit Center 1455 is at -0.804061 4.481737 1.674606 ESP Fit Center 1456 is at -1.135348 4.217544 1.674606 ESP Fit Center 1457 is at -0.701994 4.587652 1.257851 ESP Fit Center 1458 is at -1.044685 4.347697 1.257851 ESP Fit Center 1459 is at -1.340501 4.051881 1.257851 ESP Fit Center 1460 is at -1.580455 3.709191 1.257851 ESP Fit Center 1461 is at 2.823561 2.931217 0.841095 ESP Fit Center 1462 is at -0.804061 4.481737 0.841095 ESP Fit Center 1463 is at 2.753268 2.509191 0.437002 ESP Fit Center 1464 is at 2.712512 2.936002 0.437002 ESP Fit Center 1465 is at 2.827956 2.569387 -0.100155 ESP Fit Center 1466 is at 2.698418 2.968064 -0.100155 ESP Fit Center 1467 is at 2.488821 3.331097 -0.100155 ESP Fit Center 1468 is at 2.979700 2.572810 -0.485604 ESP Fit Center 1469 is at 2.857097 2.976977 -0.485604 ESP Fit Center 1470 is at 2.658001 3.349460 -0.485604 ESP Fit Center 1471 is at 2.390062 3.675944 -0.485604 ESP Fit Center 1472 is at 2.063578 3.943882 -0.485604 ESP Fit Center 1473 is at 1.691096 4.142978 -0.485604 ESP Fit Center 1474 is at 3.097053 2.152490 -0.891928 ESP Fit Center 1475 is at 3.056746 2.574604 -0.891928 ESP Fit Center 1476 is at 2.937281 2.981462 -0.891928 ESP Fit Center 1477 is at 2.742978 3.358359 -0.891928 ESP Fit Center 1478 is at 2.480857 3.691673 -0.891928 ESP Fit Center 1479 is at 2.160393 3.969356 -0.891928 ESP Fit Center 1480 is at 1.793168 4.181374 -0.891928 ESP Fit Center 1481 is at 1.392455 4.320062 -0.891928 ESP Fit Center 1482 is at 0.972737 4.380408 -0.891928 ESP Fit Center 1483 is at 0.549183 4.360232 -0.891928 ESP Fit Center 1484 is at 3.097053 2.152490 -1.305290 ESP Fit Center 1485 is at 3.056746 2.574604 -1.305290 ESP Fit Center 1486 is at 2.937281 2.981462 -1.305290 ESP Fit Center 1487 is at 2.742978 3.358359 -1.305290 ESP Fit Center 1488 is at 2.480857 3.691673 -1.305290 ESP Fit Center 1489 is at 2.160393 3.969356 -1.305290 ESP Fit Center 1490 is at 1.793168 4.181374 -1.305290 ESP Fit Center 1491 is at 1.392455 4.320062 -1.305290 ESP Fit Center 1492 is at 0.972737 4.380408 -1.305290 ESP Fit Center 1493 is at 0.549183 4.360232 -1.305290 ESP Fit Center 1494 is at 0.137101 4.260262 -1.305290 ESP Fit Center 1495 is at 3.021098 2.152490 -1.711614 ESP Fit Center 1496 is at 2.979700 2.572810 -1.711614 ESP Fit Center 1497 is at 2.857097 2.976977 -1.711614 ESP Fit Center 1498 is at 2.658001 3.349460 -1.711614 ESP Fit Center 1499 is at 2.390062 3.675944 -1.711614 ESP Fit Center 1500 is at 2.063578 3.943882 -1.711614 ESP Fit Center 1501 is at 1.691096 4.142978 -1.711614 ESP Fit Center 1502 is at 1.286928 4.265581 -1.711614 ESP Fit Center 1503 is at 0.866608 4.306979 -1.711614 ESP Fit Center 1504 is at 0.446288 4.265581 -1.711614 ESP Fit Center 1505 is at 0.042121 4.142978 -1.711614 ESP Fit Center 1506 is at 2.871774 2.152490 -2.097063 ESP Fit Center 1507 is at 2.827956 2.569387 -2.097063 ESP Fit Center 1508 is at 2.698418 2.968064 -2.097063 ESP Fit Center 1509 is at 2.488821 3.331097 -2.097063 ESP Fit Center 1510 is at 2.208326 3.642618 -2.097063 ESP Fit Center 1511 is at 1.869191 3.889014 -2.097063 ESP Fit Center 1512 is at 1.486239 4.059516 -2.097063 ESP Fit Center 1513 is at 1.076205 4.146671 -2.097063 ESP Fit Center 1514 is at 2.827956 1.735592 -2.097063 ESP Fit Center 1515 is at 2.654167 2.152490 -2.448511 ESP Fit Center 1516 is at 2.605983 2.564729 -2.448511 ESP Fit Center 1517 is at 2.464029 2.954745 -2.448511 ESP Fit Center 1518 is at 2.235958 3.301510 -2.448511 ESP Fit Center 1519 is at 1.934064 3.586332 -2.448511 ESP Fit Center 1520 is at 2.464029 1.350235 -2.448511 ESP Fit Center 1521 is at 2.605983 1.740250 -2.448511 ESP Fit Center 1522 is at 2.375686 2.152490 -2.753989 ESP Fit Center 1523 is at 2.314558 2.577646 -2.753989 ESP Fit Center 1524 is at 1.854844 1.012005 -2.753989 ESP Fit Center 1525 is at 2.136126 1.336621 -2.753989 ESP Fit Center 1526 is at 2.314558 1.727333 -2.753989 ESP Fit Center 1527 is at -3.095960 -2.609214 2.323686 ESP Fit Center 1528 is at -2.684361 -2.609214 2.285546 ESP Fit Center 1529 is at -3.301760 -2.252759 2.285546 ESP Fit Center 1530 is at -3.507559 -2.609214 2.285546 ESP Fit Center 1531 is at -3.301760 -2.965669 2.285546 ESP Fit Center 1532 is at -2.890161 -2.965669 2.285546 ESP Fit Center 1533 is at -3.500551 -1.908443 2.172424 ESP Fit Center 1534 is at -3.796732 -2.204624 2.172424 ESP Fit Center 1535 is at -3.905141 -2.609214 2.172424 ESP Fit Center 1536 is at -3.796732 -3.013805 2.172424 ESP Fit Center 1537 is at -3.500551 -3.309986 2.172424 ESP Fit Center 1538 is at -3.095960 -3.418396 2.172424 ESP Fit Center 1539 is at -2.691369 -3.309986 2.172424 ESP Fit Center 1540 is at -2.395189 -3.013805 2.172424 ESP Fit Center 1541 is at -3.806592 -1.668186 1.988173 ESP Fit Center 1542 is at -4.098543 -1.988441 1.988173 ESP Fit Center 1543 is at -4.255090 -2.392535 1.988173 ESP Fit Center 1544 is at -4.255090 -2.825893 1.988173 ESP Fit Center 1545 is at -4.098543 -3.229987 1.988173 ESP Fit Center 1546 is at -3.806592 -3.550243 1.988173 ESP Fit Center 1547 is at -3.418666 -3.743407 1.988173 ESP Fit Center 1548 is at -2.987157 -3.783392 1.988173 ESP Fit Center 1549 is at -2.570342 -3.664798 1.988173 ESP Fit Center 1550 is at -2.224515 -3.403642 1.988173 ESP Fit Center 1551 is at -1.996381 -3.035193 1.988173 ESP Fit Center 1552 is at -4.365478 -1.793345 1.739066 ESP Fit Center 1553 is at -4.543910 -2.184058 1.739066 ESP Fit Center 1554 is at -4.605038 -2.609214 1.739066 ESP Fit Center 1555 is at -4.543910 -3.034371 1.739066 ESP Fit Center 1556 is at -4.365478 -3.425084 1.739066 ESP Fit Center 1557 is at -4.084196 -3.749700 1.739066 ESP Fit Center 1558 is at -3.722854 -3.981920 1.739066 ESP Fit Center 1559 is at -3.310724 -4.102932 1.739066 ESP Fit Center 1560 is at -2.881196 -4.102932 1.739066 ESP Fit Center 1561 is at -2.469066 -3.981920 1.739066 ESP Fit Center 1562 is at -2.107724 -3.749700 1.739066 ESP Fit Center 1563 is at -1.826443 -3.425084 1.739066 ESP Fit Center 1564 is at -4.589444 -1.626935 1.433588 ESP Fit Center 1565 is at -4.775716 -1.997833 1.433588 ESP Fit Center 1566 is at -4.871432 -2.401691 1.433588 ESP Fit Center 1567 is at -4.871432 -2.816737 1.433588 ESP Fit Center 1568 is at -4.775716 -3.220595 1.433588 ESP Fit Center 1569 is at -4.589444 -3.591494 1.433588 ESP Fit Center 1570 is at -4.322657 -3.909437 1.433588 ESP Fit Center 1571 is at -3.989739 -4.157285 1.433588 ESP Fit Center 1572 is at -3.608638 -4.321677 1.433588 ESP Fit Center 1573 is at -3.199897 -4.393749 1.433588 ESP Fit Center 1574 is at -2.785554 -4.369616 1.433588 ESP Fit Center 1575 is at -2.387944 -4.250579 1.433588 ESP Fit Center 1576 is at -2.028504 -4.043056 1.433588 ESP Fit Center 1577 is at -1.726611 -3.758235 1.433588 ESP Fit Center 1578 is at -4.927770 -1.793640 1.082140 ESP Fit Center 1579 is at -5.057308 -2.192317 1.082140 ESP Fit Center 1580 is at -5.101126 -2.609214 1.082140 ESP Fit Center 1581 is at -5.057308 -3.026112 1.082140 ESP Fit Center 1582 is at -4.927770 -3.424789 1.082140 ESP Fit Center 1583 is at -4.718173 -3.787821 1.082140 ESP Fit Center 1584 is at -4.437678 -4.099343 1.082140 ESP Fit Center 1585 is at -4.098543 -4.345739 1.082140 ESP Fit Center 1586 is at -3.715590 -4.516240 1.082140 ESP Fit Center 1587 is at -3.305557 -4.603396 1.082140 ESP Fit Center 1588 is at -2.886363 -4.603396 1.082140 ESP Fit Center 1589 is at -2.476330 -4.516240 1.082140 ESP Fit Center 1590 is at -2.093377 -4.345739 1.082140 ESP Fit Center 1591 is at -1.754242 -4.099343 1.082140 ESP Fit Center 1592 is at -5.086449 -1.784727 0.696691 ESP Fit Center 1593 is at -5.209052 -2.188894 0.696691 ESP Fit Center 1594 is at -5.250450 -2.609214 0.696691 ESP Fit Center 1595 is at -5.209052 -3.029534 0.696691 ESP Fit Center 1596 is at -5.086449 -3.433702 0.696691 ESP Fit Center 1597 is at -4.887353 -3.806184 0.696691 ESP Fit Center 1598 is at -4.619414 -4.132668 0.696691 ESP Fit Center 1599 is at -4.292930 -4.400607 0.696691 ESP Fit Center 1600 is at -3.920448 -4.599703 0.696691 ESP Fit Center 1601 is at -3.516280 -4.722306 0.696691 ESP Fit Center 1602 is at -3.095960 -4.763704 0.696691 ESP Fit Center 1603 is at -2.675640 -4.722306 0.696691 ESP Fit Center 1604 is at -2.271473 -4.599703 0.696691 ESP Fit Center 1605 is at -1.898990 -4.400607 0.696691 ESP Fit Center 1606 is at -1.572506 -4.132668 0.696691 ESP Fit Center 1607 is at -5.236056 -1.980825 0.290368 ESP Fit Center 1608 is at -5.316305 -2.397197 0.290368 ESP Fit Center 1609 is at -5.316305 -2.821232 0.290368 ESP Fit Center 1610 is at -5.236056 -3.237603 0.290368 ESP Fit Center 1611 is at -5.078458 -3.631263 0.290368 ESP Fit Center 1612 is at -4.849208 -3.987984 0.290368 ESP Fit Center 1613 is at -4.556591 -4.294872 0.290368 ESP Fit Center 1614 is at -4.211182 -4.540836 0.290368 ESP Fit Center 1615 is at -3.825467 -4.716986 0.290368 ESP Fit Center 1616 is at -3.413385 -4.816956 0.290368 ESP Fit Center 1617 is at -2.989831 -4.837133 0.290368 ESP Fit Center 1618 is at -2.570113 -4.776786 0.290368 ESP Fit Center 1619 is at -2.169400 -4.638098 0.290368 ESP Fit Center 1620 is at -1.802175 -4.426081 0.290368 ESP Fit Center 1621 is at -5.236056 -1.980825 -0.122995 ESP Fit Center 1622 is at -5.316305 -2.397197 -0.122995 ESP Fit Center 1623 is at -5.316305 -2.821232 -0.122995 ESP Fit Center 1624 is at -5.236056 -3.237603 -0.122995 ESP Fit Center 1625 is at -5.078458 -3.631263 -0.122995 ESP Fit Center 1626 is at -4.849208 -3.987984 -0.122995 ESP Fit Center 1627 is at -4.556591 -4.294872 -0.122995 ESP Fit Center 1628 is at -4.211182 -4.540836 -0.122995 ESP Fit Center 1629 is at -3.825467 -4.716986 -0.122995 ESP Fit Center 1630 is at -3.413385 -4.816956 -0.122995 ESP Fit Center 1631 is at -2.989831 -4.837133 -0.122995 ESP Fit Center 1632 is at -2.570113 -4.776786 -0.122995 ESP Fit Center 1633 is at -2.169400 -4.638098 -0.122995 ESP Fit Center 1634 is at -1.802175 -4.426081 -0.122995 ESP Fit Center 1635 is at -5.086449 -1.784727 -0.529319 ESP Fit Center 1636 is at -5.209052 -2.188894 -0.529319 ESP Fit Center 1637 is at -5.250450 -2.609214 -0.529319 ESP Fit Center 1638 is at -5.209052 -3.029534 -0.529319 ESP Fit Center 1639 is at -5.086449 -3.433702 -0.529319 ESP Fit Center 1640 is at -4.887353 -3.806184 -0.529319 ESP Fit Center 1641 is at -4.619414 -4.132668 -0.529319 ESP Fit Center 1642 is at -4.292930 -4.400607 -0.529319 ESP Fit Center 1643 is at -3.920448 -4.599703 -0.529319 ESP Fit Center 1644 is at -3.516280 -4.722306 -0.529319 ESP Fit Center 1645 is at -3.095960 -4.763704 -0.529319 ESP Fit Center 1646 is at -2.675640 -4.722306 -0.529319 ESP Fit Center 1647 is at -2.271473 -4.599703 -0.529319 ESP Fit Center 1648 is at -1.898990 -4.400607 -0.529319 ESP Fit Center 1649 is at -1.572506 -4.132668 -0.529319 ESP Fit Center 1650 is at -4.927770 -1.793640 -0.914768 ESP Fit Center 1651 is at -5.057308 -2.192317 -0.914768 ESP Fit Center 1652 is at -5.101126 -2.609214 -0.914768 ESP Fit Center 1653 is at -5.057308 -3.026112 -0.914768 ESP Fit Center 1654 is at -4.927770 -3.424789 -0.914768 ESP Fit Center 1655 is at -4.718173 -3.787821 -0.914768 ESP Fit Center 1656 is at -4.437678 -4.099343 -0.914768 ESP Fit Center 1657 is at -4.098543 -4.345739 -0.914768 ESP Fit Center 1658 is at -3.715590 -4.516240 -0.914768 ESP Fit Center 1659 is at -3.305557 -4.603396 -0.914768 ESP Fit Center 1660 is at -2.886363 -4.603396 -0.914768 ESP Fit Center 1661 is at -2.476330 -4.516240 -0.914768 ESP Fit Center 1662 is at -2.093377 -4.345739 -0.914768 ESP Fit Center 1663 is at -1.754242 -4.099343 -0.914768 ESP Fit Center 1664 is at -4.589444 -1.626935 -1.266215 ESP Fit Center 1665 is at -4.775716 -1.997833 -1.266215 ESP Fit Center 1666 is at -4.871432 -2.401691 -1.266215 ESP Fit Center 1667 is at -4.871432 -2.816737 -1.266215 ESP Fit Center 1668 is at -4.775716 -3.220595 -1.266215 ESP Fit Center 1669 is at -4.589444 -3.591494 -1.266215 ESP Fit Center 1670 is at -4.322657 -3.909437 -1.266215 ESP Fit Center 1671 is at -3.989739 -4.157285 -1.266215 ESP Fit Center 1672 is at -3.608638 -4.321677 -1.266215 ESP Fit Center 1673 is at -3.199897 -4.393749 -1.266215 ESP Fit Center 1674 is at -2.785554 -4.369616 -1.266215 ESP Fit Center 1675 is at -2.387944 -4.250579 -1.266215 ESP Fit Center 1676 is at -2.028504 -4.043056 -1.266215 ESP Fit Center 1677 is at -1.726611 -3.758235 -1.266215 ESP Fit Center 1678 is at -4.365478 -1.793345 -1.571694 ESP Fit Center 1679 is at -4.543910 -2.184058 -1.571694 ESP Fit Center 1680 is at -4.605038 -2.609214 -1.571694 ESP Fit Center 1681 is at -4.543910 -3.034371 -1.571694 ESP Fit Center 1682 is at -4.365478 -3.425084 -1.571694 ESP Fit Center 1683 is at -4.084196 -3.749700 -1.571694 ESP Fit Center 1684 is at -3.722854 -3.981920 -1.571694 ESP Fit Center 1685 is at -3.310724 -4.102932 -1.571694 ESP Fit Center 1686 is at -2.881196 -4.102932 -1.571694 ESP Fit Center 1687 is at -2.469066 -3.981920 -1.571694 ESP Fit Center 1688 is at -2.107724 -3.749700 -1.571694 ESP Fit Center 1689 is at -1.826443 -3.425084 -1.571694 ESP Fit Center 1690 is at -4.098543 -1.988441 -1.820800 ESP Fit Center 1691 is at -4.255090 -2.392535 -1.820800 ESP Fit Center 1692 is at -4.255090 -2.825893 -1.820800 ESP Fit Center 1693 is at -4.098543 -3.229987 -1.820800 ESP Fit Center 1694 is at -3.806592 -3.550243 -1.820800 ESP Fit Center 1695 is at -3.418666 -3.743407 -1.820800 ESP Fit Center 1696 is at -2.987157 -3.783392 -1.820800 ESP Fit Center 1697 is at -2.570342 -3.664798 -1.820800 ESP Fit Center 1698 is at -2.224515 -3.403642 -1.820800 ESP Fit Center 1699 is at -3.796732 -2.204624 -2.005051 ESP Fit Center 1700 is at -3.905141 -2.609214 -2.005051 ESP Fit Center 1701 is at -3.796732 -3.013805 -2.005051 ESP Fit Center 1702 is at -3.500551 -3.309986 -2.005051 ESP Fit Center 1703 is at -3.095960 -3.418396 -2.005051 ESP Fit Center 1704 is at -2.691369 -3.309986 -2.005051 ESP Fit Center 1705 is at -2.395189 -3.013805 -2.005051 ESP Fit Center 1706 is at -3.301760 -2.252759 -2.118173 ESP Fit Center 1707 is at -3.507559 -2.609214 -2.118173 ESP Fit Center 1708 is at -3.301760 -2.965669 -2.118173 ESP Fit Center 1709 is at -2.890161 -2.965669 -2.118173 ESP Fit Center 1710 is at -3.095960 -2.609214 -2.156314 ESP Fit Center 1711 is at -2.370807 -1.610651 2.441098 ESP Fit Center 1712 is at -1.954051 -1.610651 2.404636 ESP Fit Center 1713 is at -2.162429 -1.249730 2.404636 ESP Fit Center 1714 is at -2.579185 -1.249730 2.404636 ESP Fit Center 1715 is at -2.787563 -1.610651 2.404636 ESP Fit Center 1716 is at -2.579185 -1.971571 2.404636 ESP Fit Center 1717 is at -2.162429 -1.971571 2.404636 ESP Fit Center 1718 is at -1.659932 -1.200226 2.296360 ESP Fit Center 1719 is at -1.960383 -0.899775 2.296360 ESP Fit Center 1720 is at -2.370807 -0.789802 2.296360 ESP Fit Center 1721 is at -3.081683 -1.200226 2.296360 ESP Fit Center 1722 is at -3.191655 -1.610651 2.296360 ESP Fit Center 1723 is at -3.081683 -2.021075 2.296360 ESP Fit Center 1724 is at -2.781231 -2.321526 2.296360 ESP Fit Center 1725 is at -2.370807 -2.431499 2.296360 ESP Fit Center 1726 is at -1.960383 -2.321526 2.296360 ESP Fit Center 1727 is at -1.659932 -2.021075 2.296360 ESP Fit Center 1728 is at -1.770807 -0.571420 2.119559 ESP Fit Center 1729 is at -3.570807 -1.610651 2.119559 ESP Fit Center 1730 is at -2.162429 -2.792420 2.119559 ESP Fit Center 1731 is at -1.770807 -2.649881 2.119559 ESP Fit Center 1732 is at -1.661069 -2.980382 -1.797409 ESP Fit Center 1733 is at -3.570807 -1.610651 -2.037363 ESP Fit Center 1734 is at -2.162429 -2.792420 -2.037363 ESP Fit Center 1735 is at -1.770807 -2.649881 -2.037363 ESP Fit Center 1736 is at -1.659932 -1.200226 -2.214165 ESP Fit Center 1737 is at -1.960383 -0.899775 -2.214165 ESP Fit Center 1738 is at -3.191655 -1.610651 -2.214165 ESP Fit Center 1739 is at -3.081683 -2.021075 -2.214165 ESP Fit Center 1740 is at -2.781231 -2.321526 -2.214165 ESP Fit Center 1741 is at -2.370807 -2.431499 -2.214165 ESP Fit Center 1742 is at -1.960383 -2.321526 -2.214165 ESP Fit Center 1743 is at -1.659932 -2.021075 -2.214165 ESP Fit Center 1744 is at -1.954051 -1.610651 -2.322441 ESP Fit Center 1745 is at -2.162429 -1.249730 -2.322441 ESP Fit Center 1746 is at -2.579185 -1.249730 -2.322441 ESP Fit Center 1747 is at -2.787563 -1.610651 -2.322441 ESP Fit Center 1748 is at -2.579185 -1.971571 -2.322441 ESP Fit Center 1749 is at -2.162429 -1.971571 -2.322441 ESP Fit Center 1750 is at -2.370807 -1.610651 -2.358902 ESP Fit Center 1751 is at -2.924688 -0.329551 2.374982 ESP Fit Center 1752 is at -2.507932 -0.329551 2.338520 ESP Fit Center 1753 is at -2.716310 0.031370 2.338520 ESP Fit Center 1754 is at -3.133065 0.031370 2.338520 ESP Fit Center 1755 is at -3.341443 -0.329551 2.338520 ESP Fit Center 1756 is at -3.133065 -0.690472 2.338520 ESP Fit Center 1757 is at -2.716310 -0.690472 2.338520 ESP Fit Center 1758 is at -2.103839 -0.329551 2.230244 ESP Fit Center 1759 is at -2.213812 0.080873 2.230244 ESP Fit Center 1760 is at -2.924688 0.491298 2.230244 ESP Fit Center 1761 is at -3.335112 0.381325 2.230244 ESP Fit Center 1762 is at -3.635563 0.080873 2.230244 ESP Fit Center 1763 is at -3.745536 -0.329551 2.230244 ESP Fit Center 1764 is at -3.635563 -0.739975 2.230244 ESP Fit Center 1765 is at -3.335112 -1.040426 2.230244 ESP Fit Center 1766 is at -1.724688 -0.329551 2.053443 ESP Fit Center 1767 is at -3.524688 0.709680 2.053443 ESP Fit Center 1768 is at -3.843941 0.441794 2.053443 ESP Fit Center 1769 is at -4.052319 0.080873 2.053443 ESP Fit Center 1770 is at -4.124688 -0.329551 2.053443 ESP Fit Center 1771 is at -4.052319 -0.739975 2.053443 ESP Fit Center 1772 is at -3.843941 -1.100896 2.053443 ESP Fit Center 1773 is at -3.814327 0.930781 1.813488 ESP Fit Center 1774 is at -4.121370 0.644022 1.813488 ESP Fit Center 1775 is at -4.339660 0.285059 1.813488 ESP Fit Center 1776 is at -4.453009 -0.119488 1.813488 ESP Fit Center 1777 is at -4.453009 -0.539614 1.813488 ESP Fit Center 1778 is at -4.339660 -0.944160 1.813488 ESP Fit Center 1779 is at -4.121370 -1.303124 1.813488 ESP Fit Center 1780 is at -4.186347 1.007731 1.517672 ESP Fit Center 1781 is at -4.460737 -1.339827 1.517672 ESP Fit Center 1782 is at -4.460737 -1.339827 -1.567708 ESP Fit Center 1783 is at -4.121370 0.644022 -1.863525 ESP Fit Center 1784 is at -4.339660 0.285059 -1.863525 ESP Fit Center 1785 is at -4.453009 -0.539614 -1.863525 ESP Fit Center 1786 is at -4.339660 -0.944160 -1.863525 ESP Fit Center 1787 is at -4.121370 -1.303124 -1.863525 ESP Fit Center 1788 is at -1.724688 -0.329551 -2.103479 ESP Fit Center 1789 is at -3.524688 0.709680 -2.103479 ESP Fit Center 1790 is at -3.843941 0.441794 -2.103479 ESP Fit Center 1791 is at -4.052319 0.080873 -2.103479 ESP Fit Center 1792 is at -4.124688 -0.329551 -2.103479 ESP Fit Center 1793 is at -4.052319 -0.739975 -2.103479 ESP Fit Center 1794 is at -3.843941 -1.100896 -2.103479 ESP Fit Center 1795 is at -3.524688 -1.368781 -2.103479 ESP Fit Center 1796 is at -2.103839 -0.329551 -2.280281 ESP Fit Center 1797 is at -3.335112 0.381325 -2.280281 ESP Fit Center 1798 is at -3.635563 0.080873 -2.280281 ESP Fit Center 1799 is at -3.745536 -0.329551 -2.280281 ESP Fit Center 1800 is at -3.635563 -0.739975 -2.280281 ESP Fit Center 1801 is at -3.335112 -1.040426 -2.280281 ESP Fit Center 1802 is at -2.924688 -1.150399 -2.280281 ESP Fit Center 1803 is at -2.213812 -0.739975 -2.280281 ESP Fit Center 1804 is at -2.507932 -0.329551 -2.388557 ESP Fit Center 1805 is at -2.716310 0.031370 -2.388557 ESP Fit Center 1806 is at -3.133065 0.031370 -2.388557 ESP Fit Center 1807 is at -3.341443 -0.329551 -2.388557 ESP Fit Center 1808 is at -3.133065 -0.690472 -2.388557 ESP Fit Center 1809 is at -2.716310 -0.690472 -2.388557 ESP Fit Center 1810 is at -2.924688 -0.329551 -2.425018 ESP Fit Center 1811 is at -2.235114 0.864386 2.326083 ESP Fit Center 1812 is at -1.818358 0.864386 2.289622 ESP Fit Center 1813 is at -2.026736 1.225307 2.289622 ESP Fit Center 1814 is at -2.443492 1.225307 2.289622 ESP Fit Center 1815 is at -2.651870 0.864386 2.289622 ESP Fit Center 1816 is at -2.443492 0.503465 2.289622 ESP Fit Center 1817 is at -2.026736 0.503465 2.289622 ESP Fit Center 1818 is at -2.235114 1.685234 2.181346 ESP Fit Center 1819 is at -2.645538 1.575261 2.181346 ESP Fit Center 1820 is at -2.945990 1.274810 2.181346 ESP Fit Center 1821 is at -3.055962 0.864386 2.181346 ESP Fit Center 1822 is at -1.824690 0.153510 2.181346 ESP Fit Center 1823 is at -3.362745 1.274810 2.004544 ESP Fit Center 1824 is at -3.435114 0.864386 2.004544 ESP Fit Center 1825 is at -1.635114 -0.174845 2.004544 ESP Fit Center 1826 is at -3.763436 1.074449 1.764590 ESP Fit Center 1827 is at -1.635114 1.903616 -2.152378 ESP Fit Center 1828 is at -3.435114 0.864386 -2.152378 ESP Fit Center 1829 is at -1.635114 -0.174845 -2.152378 ESP Fit Center 1830 is at -1.524238 1.274810 -2.329179 ESP Fit Center 1831 is at -1.824690 1.575261 -2.329179 ESP Fit Center 1832 is at -2.235114 1.685234 -2.329179 ESP Fit Center 1833 is at -2.645538 1.575261 -2.329179 ESP Fit Center 1834 is at -2.945990 1.274810 -2.329179 ESP Fit Center 1835 is at -3.055962 0.864386 -2.329179 ESP Fit Center 1836 is at -2.945990 0.453962 -2.329179 ESP Fit Center 1837 is at -2.235114 0.043537 -2.329179 ESP Fit Center 1838 is at -1.824690 0.153510 -2.329179 ESP Fit Center 1839 is at -1.818358 0.864386 -2.437455 ESP Fit Center 1840 is at -2.026736 1.225307 -2.437455 ESP Fit Center 1841 is at -2.443492 1.225307 -2.437455 ESP Fit Center 1842 is at -2.651870 0.864386 -2.437455 ESP Fit Center 1843 is at -2.443492 0.503465 -2.437455 ESP Fit Center 1844 is at -2.026736 0.503465 -2.437455 ESP Fit Center 1845 is at -2.235114 0.864386 -2.473917 ESP Fit Center 1846 is at -2.847420 1.943084 2.114669 ESP Fit Center 1847 is at -2.435821 1.943084 2.076529 ESP Fit Center 1848 is at -2.641621 2.299539 2.076529 ESP Fit Center 1849 is at -3.053220 2.299539 2.076529 ESP Fit Center 1850 is at -3.259019 1.943084 2.076529 ESP Fit Center 1851 is at -3.053220 1.586629 2.076529 ESP Fit Center 1852 is at -2.442830 2.643856 1.963407 ESP Fit Center 1853 is at -2.847420 2.752266 1.963407 ESP Fit Center 1854 is at -3.252011 2.643856 1.963407 ESP Fit Center 1855 is at -3.548192 2.347675 1.963407 ESP Fit Center 1856 is at -3.656602 1.943084 1.963407 ESP Fit Center 1857 is at -3.548192 1.538494 1.963407 ESP Fit Center 1858 is at -2.321802 2.998668 1.779155 ESP Fit Center 1859 is at -2.738617 3.117262 1.779155 ESP Fit Center 1860 is at -3.170126 3.077277 1.779155 ESP Fit Center 1861 is at -3.558052 2.884113 1.779155 ESP Fit Center 1862 is at -3.850003 2.563857 1.779155 ESP Fit Center 1863 is at -4.006550 2.159763 1.779155 ESP Fit Center 1864 is at -4.006550 1.726405 1.779155 ESP Fit Center 1865 is at -3.850003 1.322311 1.779155 ESP Fit Center 1866 is at -2.220526 3.315790 1.530049 ESP Fit Center 1867 is at -2.632656 3.436802 1.530049 ESP Fit Center 1868 is at -3.062184 3.436802 1.530049 ESP Fit Center 1869 is at -3.474314 3.315790 1.530049 ESP Fit Center 1870 is at -3.835656 3.083569 1.530049 ESP Fit Center 1871 is at -4.116938 2.758954 1.530049 ESP Fit Center 1872 is at -4.295370 2.368241 1.530049 ESP Fit Center 1873 is at -4.356498 1.943084 1.530049 ESP Fit Center 1874 is at -4.295370 1.517928 1.530049 ESP Fit Center 1875 is at -4.116938 1.127215 1.530049 ESP Fit Center 1876 is at -2.139404 3.584449 1.224571 ESP Fit Center 1877 is at -2.537014 3.703486 1.224571 ESP Fit Center 1878 is at -2.951358 3.727619 1.224571 ESP Fit Center 1879 is at -3.360098 3.655547 1.224571 ESP Fit Center 1880 is at -3.741200 3.491155 1.224571 ESP Fit Center 1881 is at -4.074117 3.243307 1.224571 ESP Fit Center 1882 is at -4.340904 2.925364 1.224571 ESP Fit Center 1883 is at -4.527176 2.554465 1.224571 ESP Fit Center 1884 is at -4.622892 2.150607 1.224571 ESP Fit Center 1885 is at -4.622892 1.735561 1.224571 ESP Fit Center 1886 is at -4.527176 1.331703 1.224571 ESP Fit Center 1887 is at -2.227790 3.850110 0.873123 ESP Fit Center 1888 is at -2.637823 3.937266 0.873123 ESP Fit Center 1889 is at -3.057017 3.937266 0.873123 ESP Fit Center 1890 is at -3.467051 3.850110 0.873123 ESP Fit Center 1891 is at -3.850003 3.679609 0.873123 ESP Fit Center 1892 is at -4.189138 3.433213 0.873123 ESP Fit Center 1893 is at -4.469633 3.121691 0.873123 ESP Fit Center 1894 is at -4.679230 2.758659 0.873123 ESP Fit Center 1895 is at -4.808768 2.359982 0.873123 ESP Fit Center 1896 is at -4.852586 1.943084 0.873123 ESP Fit Center 1897 is at -4.808768 1.526187 0.873123 ESP Fit Center 1898 is at -2.427100 4.056176 0.487674 ESP Fit Center 1899 is at -2.847420 4.097574 0.487674 ESP Fit Center 1900 is at -3.267740 4.056176 0.487674 ESP Fit Center 1901 is at -3.671908 3.933573 0.487674 ESP Fit Center 1902 is at -4.044390 3.734477 0.487674 ESP Fit Center 1903 is at -4.370874 3.466538 0.487674 ESP Fit Center 1904 is at -4.638813 3.140054 0.487674 ESP Fit Center 1905 is at -4.837909 2.767572 0.487674 ESP Fit Center 1906 is at -4.960512 2.363404 0.487674 ESP Fit Center 1907 is at -5.001910 1.943084 0.487674 ESP Fit Center 1908 is at -4.960512 1.522764 0.487674 ESP Fit Center 1909 is at -2.321573 4.110656 0.081350 ESP Fit Center 1910 is at -2.741291 4.171002 0.081350 ESP Fit Center 1911 is at -3.164846 4.150826 0.081350 ESP Fit Center 1912 is at -3.576927 4.050856 0.081350 ESP Fit Center 1913 is at -3.962642 3.874706 0.081350 ESP Fit Center 1914 is at -4.308051 3.628742 0.081350 ESP Fit Center 1915 is at -4.600668 3.321854 0.081350 ESP Fit Center 1916 is at -4.829918 2.965133 0.081350 ESP Fit Center 1917 is at -4.987516 2.571473 0.081350 ESP Fit Center 1918 is at -5.067765 2.155101 0.081350 ESP Fit Center 1919 is at -5.067765 1.731067 0.081350 ESP Fit Center 1920 is at -2.741291 4.171002 -0.332012 ESP Fit Center 1921 is at -3.164846 4.150826 -0.332012 ESP Fit Center 1922 is at -3.576927 4.050856 -0.332012 ESP Fit Center 1923 is at -3.962642 3.874706 -0.332012 ESP Fit Center 1924 is at -4.308051 3.628742 -0.332012 ESP Fit Center 1925 is at -4.600668 3.321854 -0.332012 ESP Fit Center 1926 is at -4.829918 2.965133 -0.332012 ESP Fit Center 1927 is at -4.987516 2.571473 -0.332012 ESP Fit Center 1928 is at -5.067765 2.155101 -0.332012 ESP Fit Center 1929 is at -5.067765 1.731067 -0.332012 ESP Fit Center 1930 is at -2.427100 4.056176 -0.738336 ESP Fit Center 1931 is at -2.847420 4.097574 -0.738336 ESP Fit Center 1932 is at -3.267740 4.056176 -0.738336 ESP Fit Center 1933 is at -3.671908 3.933573 -0.738336 ESP Fit Center 1934 is at -4.044390 3.734477 -0.738336 ESP Fit Center 1935 is at -4.370874 3.466538 -0.738336 ESP Fit Center 1936 is at -4.638813 3.140054 -0.738336 ESP Fit Center 1937 is at -4.837909 2.767572 -0.738336 ESP Fit Center 1938 is at -4.960512 2.363404 -0.738336 ESP Fit Center 1939 is at -5.001910 1.943084 -0.738336 ESP Fit Center 1940 is at -4.960512 1.522764 -0.738336 ESP Fit Center 1941 is at -2.637823 3.937266 -1.123785 ESP Fit Center 1942 is at -3.057017 3.937266 -1.123785 ESP Fit Center 1943 is at -3.467051 3.850110 -1.123785 ESP Fit Center 1944 is at -3.850003 3.679609 -1.123785 ESP Fit Center 1945 is at -4.189138 3.433213 -1.123785 ESP Fit Center 1946 is at -4.469633 3.121691 -1.123785 ESP Fit Center 1947 is at -4.679230 2.758659 -1.123785 ESP Fit Center 1948 is at -4.808768 2.359982 -1.123785 ESP Fit Center 1949 is at -4.852586 1.943084 -1.123785 ESP Fit Center 1950 is at -4.808768 1.526187 -1.123785 ESP Fit Center 1951 is at -2.537014 3.703486 -1.475232 ESP Fit Center 1952 is at -2.951358 3.727619 -1.475232 ESP Fit Center 1953 is at -3.360098 3.655547 -1.475232 ESP Fit Center 1954 is at -3.741200 3.491155 -1.475232 ESP Fit Center 1955 is at -4.074117 3.243307 -1.475232 ESP Fit Center 1956 is at -4.340904 2.925364 -1.475232 ESP Fit Center 1957 is at -4.527176 2.554465 -1.475232 ESP Fit Center 1958 is at -4.622892 2.150607 -1.475232 ESP Fit Center 1959 is at -4.622892 1.735561 -1.475232 ESP Fit Center 1960 is at -4.527176 1.331703 -1.475232 ESP Fit Center 1961 is at -4.340904 0.960805 -1.475232 ESP Fit Center 1962 is at -2.220526 3.315790 -1.780711 ESP Fit Center 1963 is at -2.632656 3.436802 -1.780711 ESP Fit Center 1964 is at -3.062184 3.436802 -1.780711 ESP Fit Center 1965 is at -3.474314 3.315790 -1.780711 ESP Fit Center 1966 is at -3.835656 3.083569 -1.780711 ESP Fit Center 1967 is at -4.116938 2.758954 -1.780711 ESP Fit Center 1968 is at -4.295370 2.368241 -1.780711 ESP Fit Center 1969 is at -4.356498 1.943084 -1.780711 ESP Fit Center 1970 is at -4.295370 1.517928 -1.780711 ESP Fit Center 1971 is at -4.116938 1.127215 -1.780711 ESP Fit Center 1972 is at -1.747841 2.369063 -2.029817 ESP Fit Center 1973 is at -1.975975 2.737512 -2.029817 ESP Fit Center 1974 is at -2.321802 2.998668 -2.029817 ESP Fit Center 1975 is at -2.738617 3.117262 -2.029817 ESP Fit Center 1976 is at -3.170126 3.077277 -2.029817 ESP Fit Center 1977 is at -3.558052 2.884113 -2.029817 ESP Fit Center 1978 is at -3.850003 2.563857 -2.029817 ESP Fit Center 1979 is at -4.006550 2.159763 -2.029817 ESP Fit Center 1980 is at -4.006550 1.726405 -2.029817 ESP Fit Center 1981 is at -3.850003 1.322311 -2.029817 ESP Fit Center 1982 is at -2.038239 1.943084 -2.214069 ESP Fit Center 1983 is at -2.146649 2.347675 -2.214069 ESP Fit Center 1984 is at -2.442830 2.643856 -2.214069 ESP Fit Center 1985 is at -2.847420 2.752266 -2.214069 ESP Fit Center 1986 is at -3.252011 2.643856 -2.214069 ESP Fit Center 1987 is at -3.548192 2.347675 -2.214069 ESP Fit Center 1988 is at -3.656602 1.943084 -2.214069 ESP Fit Center 1989 is at -3.548192 1.538494 -2.214069 ESP Fit Center 1990 is at -2.435821 1.943084 -2.327191 ESP Fit Center 1991 is at -2.641621 2.299539 -2.327191 ESP Fit Center 1992 is at -3.053220 2.299539 -2.327191 ESP Fit Center 1993 is at -3.259019 1.943084 -2.327191 ESP Fit Center 1994 is at -3.053220 1.586629 -2.327191 ESP Fit Center 1995 is at -2.641621 1.586629 -2.327191 ESP Fit Center 1996 is at -2.847420 1.943084 -2.365331 ESP Fit Center 1997 is at -1.250442 0.796726 2.303420 ESP Fit Center 1998 is at -1.042064 0.435805 2.303420 ESP Fit Center 1999 is at -0.625308 0.435805 2.303420 ESP Fit Center 2000 is at -1.544562 0.386301 2.195144 ESP Fit Center 2001 is at -1.244110 0.085850 2.195144 ESP Fit Center 2002 is at -1.433686 1.835956 -2.138580 ESP Fit Center 2003 is at -1.433686 -0.242505 -2.138580 ESP Fit Center 2004 is at -1.244110 1.507601 -2.315381 ESP Fit Center 2005 is at -1.244110 0.085850 -2.315381 ESP Fit Center 2006 is at -0.833686 -0.024123 -2.315381 ESP Fit Center 2007 is at -0.122811 0.386301 -2.315381 ESP Fit Center 2008 is at -1.042064 1.157647 -2.423657 ESP Fit Center 2009 is at -1.250442 0.796726 -2.423657 ESP Fit Center 2010 is at -1.042064 0.435805 -2.423657 ESP Fit Center 2011 is at -0.625308 0.435805 -2.423657 ESP Fit Center 2012 is at -0.833686 0.796726 -2.460119 ESP Fit Center 2013 is at -0.197115 -0.461681 2.402257 ESP Fit Center 2014 is at -0.405493 -0.100760 2.365796 ESP Fit Center 2015 is at -0.613871 -0.461681 2.365796 ESP Fit Center 2016 is at -0.405493 -0.822602 2.365796 ESP Fit Center 2017 is at -0.197115 0.359168 2.257520 ESP Fit Center 2018 is at -0.907991 -0.051256 2.257520 ESP Fit Center 2019 is at -1.017963 -0.461681 2.257520 ESP Fit Center 2020 is at -1.397115 -0.461681 -2.076204 ESP Fit Center 2021 is at -1.017963 -0.461681 -2.253005 ESP Fit Center 2022 is at 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is at -0.692690 -1.987259 -2.313118 ESP Fit Center 2077 is at -0.901067 -1.626338 -2.349579 ESP Fit Center 2078 is at -1.515258 3.872359 1.178219 ESP Fit Center 2079 is at -1.833740 3.605121 1.178219 ESP Fit Center 2080 is at -1.130339 4.321477 0.874203 ESP Fit Center 2081 is at -1.540294 4.201103 0.874203 ESP Fit Center 2082 is at -1.899730 3.970108 0.874203 ESP Fit Center 2083 is at -0.708196 4.552887 0.510159 ESP Fit Center 2084 is at -1.125220 4.552887 0.510159 ESP Fit Center 2085 is at -1.530125 4.453087 0.510159 ESP Fit Center 2086 is at -1.899381 4.259287 0.510159 ESP Fit Center 2087 is at -0.500180 4.660570 0.104343 ESP Fit Center 2088 is at -0.916708 4.707501 0.104343 ESP Fit Center 2089 is at -1.333236 4.660570 0.104343 ESP Fit Center 2090 is at -1.728878 4.522129 0.104343 ESP Fit Center 2091 is at -2.083795 4.299120 0.104343 ESP Fit Center 2092 is at -0.017364 4.531983 -0.322897 ESP Fit Center 2093 is at -0.403054 4.685656 -0.322897 ESP Fit Center 2094 is at -0.812761 4.752824 -0.322897 ESP Fit Center 2095 is at -1.227329 4.730347 -0.322897 ESP Fit Center 2096 is at -1.627373 4.619275 -0.322897 ESP Fit Center 2097 is at -1.994187 4.424803 -0.322897 ESP Fit Center 2098 is at -2.310619 4.156023 -0.322897 ESP Fit Center 2099 is at -0.104538 4.522129 -0.750138 ESP Fit Center 2100 is at -0.500180 4.660570 -0.750138 ESP Fit Center 2101 is at -0.916708 4.707501 -0.750138 ESP Fit Center 2102 is at -1.333236 4.660570 -0.750138 ESP Fit Center 2103 is at -1.728878 4.522129 -0.750138 ESP Fit Center 2104 is at -2.083795 4.299120 -0.750138 ESP Fit Center 2105 is at -0.303291 4.453087 -1.155954 ESP Fit Center 2106 is at -0.708196 4.552887 -1.155954 ESP Fit Center 2107 is at -1.125220 4.552887 -1.155954 ESP Fit Center 2108 is at -1.530125 4.453087 -1.155954 ESP Fit Center 2109 is at -1.899381 4.259287 -1.155954 ESP Fit Center 2110 is at -2.211527 3.982749 -1.155954 ESP Fit Center 2111 is at -0.293122 4.201103 -1.519998 ESP Fit Center 2112 is at -0.703077 4.321477 -1.519998 ESP Fit Center 2113 is at -1.130339 4.321477 -1.519998 ESP Fit Center 2114 is at -1.540294 4.201103 -1.519998 ESP Fit Center 2115 is at -1.899730 3.970108 -1.519998 ESP Fit Center 2116 is at -2.179527 3.647205 -1.519998 ESP Fit Center 2117 is at -0.708834 4.014553 -1.824014 ESP Fit Center 2118 is at -1.124582 4.014553 -1.824014 ESP Fit Center 2119 is at -1.515258 3.872359 -1.824014 ESP Fit Center 2120 is at -1.833740 3.605121 -1.824014 ESP Fit Center 2121 is at -2.041614 3.245072 -1.824014 ESP Fit Center 2122 is at -0.916708 3.668696 -2.052758 ESP Fit Center 2123 is at -1.333236 3.557088 -2.052758 ESP Fit Center 2124 is at -1.638156 3.252168 -2.052758 ESP Fit Center 2125 is at -1.749765 2.835640 -2.052758 ESP Fit Center 2126 is at -1.638156 2.419111 -2.052758 ESP Fit Center 2127 is at -1.343948 2.835640 -2.194759 ESP Fit Center 2128 is at 1.625107 3.931175 2.906531 ESP Fit Center 2129 is at 1.320187 4.236095 2.906531 ESP Fit Center 2130 is at 0.903658 4.347703 2.906531 ESP Fit Center 2131 is at 2.028565 3.924079 2.677787 ESP Fit Center 2132 is at 1.820690 4.284128 2.677787 ESP Fit Center 2133 is at 1.502209 4.551366 2.677787 ESP Fit Center 2134 is at 1.111533 4.693560 2.677787 ESP Fit Center 2135 is at 0.695784 4.693560 2.677787 ESP Fit Center 2136 is at 0.305108 4.551366 2.677787 ESP Fit Center 2137 is at 2.404775 3.514646 2.373771 ESP Fit Center 2138 is at 2.343969 3.937560 2.373771 ESP Fit Center 2139 is at 2.166478 4.326211 2.373771 ESP Fit Center 2140 is at 1.886681 4.649115 2.373771 ESP Fit Center 2141 is at 1.527245 4.880110 2.373771 ESP Fit Center 2142 is at 1.117289 5.000484 2.373771 ESP Fit Center 2143 is at 0.690027 5.000484 2.373771 ESP Fit Center 2144 is at 0.280072 4.880110 2.373771 ESP Fit Center 2145 is at -0.079364 4.649115 2.373771 ESP Fit Center 2146 is at 2.633519 3.514646 2.009728 ESP Fit Center 2147 is at 2.583252 3.928629 2.009728 ESP Fit Center 2148 is at 2.435373 4.318553 2.009728 ESP Fit Center 2149 is at 2.198477 4.661756 2.009728 ESP Fit Center 2150 is at 1.886331 4.938294 2.009728 ESP Fit Center 2151 is at 1.517075 5.132094 2.009728 ESP Fit Center 2152 is at 1.112170 5.231894 2.009728 ESP Fit Center 2153 is at 0.695147 5.231894 2.009728 ESP Fit Center 2154 is at 0.290241 5.132094 2.009728 ESP Fit Center 2155 is at -0.079014 4.938294 2.009728 ESP Fit Center 2156 is at -0.391161 4.661756 2.009728 ESP Fit Center 2157 is at 2.775520 3.514646 1.603911 ESP Fit Center 2158 is at 2.728588 3.931175 1.603911 ESP Fit Center 2159 is at 2.590147 4.326817 1.603911 ESP Fit Center 2160 is at 2.367139 4.681733 1.603911 ESP Fit Center 2161 is at 2.070745 4.978127 1.603911 ESP Fit Center 2162 is at 1.715829 5.201136 1.603911 ESP Fit Center 2163 is at 1.320187 5.339577 1.603911 ESP Fit Center 2164 is at 0.903658 5.386508 1.603911 ESP Fit Center 2165 is at 0.487130 5.339577 1.603911 ESP Fit Center 2166 is at 0.091488 5.201136 1.603911 ESP Fit Center 2167 is at -0.263428 4.978127 1.603911 ESP Fit Center 2168 is at -0.559822 4.681733 1.603911 ESP Fit Center 2169 is at 2.823658 3.514646 1.176671 ESP Fit Center 2170 is at 2.778770 3.927390 1.176671 ESP Fit Center 2171 is at 2.646203 4.320834 1.176671 ESP Fit Center 2172 is at 2.432157 4.676581 1.176671 ESP Fit Center 2173 is at 2.146640 4.977998 1.176671 ESP Fit Center 2174 is at 1.803003 5.210990 1.176671 ESP Fit Center 2175 is at 1.417313 5.364662 1.176671 ESP Fit Center 2176 is at 1.007605 5.431831 1.176671 ESP Fit Center 2177 is at 0.593037 5.409353 1.176671 ESP Fit Center 2178 is at 0.192993 5.298282 1.176671 ESP Fit Center 2179 is at -0.173821 5.103809 1.176671 ESP Fit Center 2180 is at -0.490253 4.835029 1.176671 ESP Fit Center 2181 is at 2.775520 3.514646 0.749431 ESP Fit Center 2182 is at 2.728588 3.931175 0.749431 ESP Fit Center 2183 is at 2.590147 4.326817 0.749431 ESP Fit Center 2184 is at 2.367139 4.681733 0.749431 ESP Fit Center 2185 is at 2.070745 4.978127 0.749431 ESP Fit Center 2186 is at 1.715829 5.201136 0.749431 ESP Fit Center 2187 is at 1.320187 5.339577 0.749431 ESP Fit Center 2188 is at 0.903658 5.386508 0.749431 ESP Fit Center 2189 is at 0.487130 5.339577 0.749431 ESP Fit Center 2190 is at 0.091488 5.201136 0.749431 ESP Fit Center 2191 is at -0.263428 4.978127 0.749431 ESP Fit Center 2192 is at -0.559822 4.681733 0.749431 ESP Fit Center 2193 is at 2.633519 3.514646 0.343614 ESP Fit Center 2194 is at 2.583252 3.928629 0.343614 ESP Fit Center 2195 is at 2.435373 4.318553 0.343614 ESP Fit Center 2196 is at 2.198477 4.661756 0.343614 ESP Fit Center 2197 is at 1.886331 4.938294 0.343614 ESP Fit Center 2198 is at 1.517075 5.132094 0.343614 ESP Fit Center 2199 is at 1.112170 5.231894 0.343614 ESP Fit Center 2200 is at 0.695147 5.231894 0.343614 ESP Fit Center 2201 is at 0.290241 5.132094 0.343614 ESP Fit Center 2202 is at -0.079014 4.938294 0.343614 ESP Fit Center 2203 is at -0.391161 4.661756 0.343614 ESP Fit Center 2204 is at 2.404775 3.514646 -0.020430 ESP Fit Center 2205 is at 2.343969 3.937560 -0.020430 ESP Fit Center 2206 is at 2.166478 4.326211 -0.020430 ESP Fit Center 2207 is at 1.886681 4.649115 -0.020430 ESP Fit Center 2208 is at 1.527245 4.880110 -0.020430 ESP Fit Center 2209 is at 1.117289 5.000484 -0.020430 ESP Fit Center 2210 is at 0.690027 5.000484 -0.020430 ESP Fit Center 2211 is at 0.280072 4.880110 -0.020430 ESP Fit Center 2212 is at -0.079364 4.649115 -0.020430 ESP Fit Center 2213 is at 2.028565 3.924079 -0.324446 ESP Fit Center 2214 is at 1.820690 4.284128 -0.324446 ESP Fit Center 2215 is at 1.502209 4.551366 -0.324446 ESP Fit Center 2216 is at 1.111533 4.693560 -0.324446 ESP Fit Center 2217 is at 0.695784 4.693560 -0.324446 ESP Fit Center 2218 is at 0.305108 4.551366 -0.324446 ESP Fit Center 2219 is at 0.903658 4.347703 -0.553189 ESP Fit Center 2220 is at -0.262883 2.498415 3.955621 ESP Fit Center 2221 is at 0.164357 2.498415 3.907483 ESP Fit Center 2222 is at -0.049263 2.868416 3.907483 ESP Fit Center 2223 is at -0.476503 2.868416 3.907483 ESP Fit Center 2224 is at -0.690123 2.498415 3.907483 ESP Fit Center 2225 is at -0.476503 2.128414 3.907483 ESP Fit Center 2226 is at -0.049263 2.128414 3.907483 ESP Fit Center 2227 is at 0.570174 2.498415 3.765482 ESP Fit Center 2228 is at 0.458565 2.914944 3.765482 ESP Fit Center 2229 is at 0.153646 3.219863 3.765482 ESP Fit Center 2230 is at -0.262883 3.331472 3.765482 ESP Fit Center 2231 is at -0.679411 3.219863 3.765482 ESP Fit Center 2232 is at -0.984331 2.914944 3.765482 ESP Fit Center 2233 is at -1.095940 2.498415 3.765482 ESP Fit Center 2234 is at -0.984331 2.081887 3.765482 ESP Fit Center 2235 is at -0.679411 1.776967 3.765482 ESP Fit Center 2236 is at -0.262883 1.665358 3.765482 ESP Fit Center 2237 is at 0.153646 1.776967 3.765482 ESP Fit Center 2238 is at 0.458565 2.081887 3.765482 ESP Fit Center 2239 is at 0.654149 3.267896 3.536738 ESP Fit Center 2240 is at 0.335667 3.535135 3.536738 ESP Fit Center 2241 is at -0.055009 3.677329 3.536738 ESP Fit Center 2242 is at -0.470757 3.677329 3.536738 ESP Fit Center 2243 is at -0.861433 3.535135 3.536738 ESP Fit Center 2244 is at -1.179915 3.267896 3.536738 ESP Fit Center 2245 is at -1.387789 2.907848 3.536738 ESP Fit Center 2246 is at -1.459983 2.498415 3.536738 ESP Fit Center 2247 is at -1.387789 2.088983 3.536738 ESP Fit Center 2248 is at -1.179915 1.728934 3.536738 ESP Fit Center 2249 is at -0.861433 1.461696 3.536738 ESP Fit Center 2250 is at -0.470757 1.319501 3.536738 ESP Fit Center 2251 is at -0.055009 1.319501 3.536738 ESP Fit Center 2252 is at 0.335667 1.461696 3.536738 ESP Fit Center 2253 is at 0.654149 1.728934 3.536738 ESP Fit Center 2254 is at -0.049252 3.984252 3.232722 ESP Fit Center 2255 is at -0.476514 3.984252 3.232722 ESP Fit Center 2256 is at -0.886469 3.863879 3.232722 ESP Fit Center 2257 is at -1.245905 3.632883 3.232722 ESP Fit Center 2258 is at -1.525702 3.309980 3.232722 ESP Fit Center 2259 is at -1.703194 2.921329 3.232722 ESP Fit Center 2260 is at -1.763999 2.498415 3.232722 ESP Fit Center 2261 is at -1.703194 2.075502 3.232722 ESP Fit Center 2262 is at -1.525702 1.686850 3.232722 ESP Fit Center 2263 is at -1.245905 1.363947 3.232722 ESP Fit Center 2264 is at -0.886469 1.132952 3.232722 ESP Fit Center 2265 is at -0.476514 1.012578 3.232722 ESP Fit Center 2266 is at -0.049252 1.012578 3.232722 ESP Fit Center 2267 is at 0.360703 1.132952 3.232722 ESP Fit Center 2268 is at -0.054371 4.215663 2.868678 ESP Fit Center 2269 is at -0.471394 4.215663 2.868678 ESP Fit Center 2270 is at -0.876300 4.115863 2.868678 ESP Fit Center 2271 is at -1.245555 3.922062 2.868678 ESP Fit Center 2272 is at -1.557702 3.645525 2.868678 ESP Fit Center 2273 is at -1.794598 3.302321 2.868678 ESP Fit Center 2274 is at -1.942477 2.912398 2.868678 ESP Fit Center 2275 is at -1.992743 2.498415 2.868678 ESP Fit Center 2276 is at -1.942477 2.084432 2.868678 ESP Fit Center 2277 is at -1.794598 1.694509 2.868678 ESP Fit Center 2278 is at -1.557702 1.351306 2.868678 ESP Fit Center 2279 is at -1.245555 1.074768 2.868678 ESP Fit Center 2280 is at -0.876300 0.880968 2.868678 ESP Fit Center 2281 is at -0.471394 0.781168 2.868678 ESP Fit Center 2282 is at -0.054371 0.781168 2.868678 ESP Fit Center 2283 is at -0.679411 4.323345 2.462862 ESP Fit Center 2284 is at -1.075053 4.184904 2.462862 ESP Fit Center 2285 is at -1.429969 3.961895 2.462862 ESP Fit Center 2286 is at -1.726363 3.665502 2.462862 ESP Fit Center 2287 is at -1.949372 3.310585 2.462862 ESP Fit Center 2288 is at -2.087813 2.914944 2.462862 ESP Fit Center 2289 is at -2.134744 2.498415 2.462862 ESP Fit Center 2290 is at -2.087813 2.081887 2.462862 ESP Fit Center 2291 is at -1.949372 1.686245 2.462862 ESP Fit Center 2292 is at -1.726363 1.331329 2.462862 ESP Fit Center 2293 is at -1.429969 1.034935 2.462862 ESP Fit Center 2294 is at -1.075053 0.811926 2.462862 ESP Fit Center 2295 is at -0.679411 0.673485 2.462862 ESP Fit Center 2296 is at -0.973548 4.282050 2.035621 ESP Fit Center 2297 is at -1.340362 4.087578 2.035621 ESP Fit Center 2298 is at -1.656794 3.818798 2.035621 ESP Fit Center 2299 is at -1.908049 3.488279 2.035621 ESP Fit Center 2300 is at -2.082377 3.111474 2.035621 ESP Fit Center 2301 is at -2.171628 2.706004 2.035621 ESP Fit Center 2302 is at -2.171628 2.290827 2.035621 ESP Fit Center 2303 is at -1.429969 3.961895 1.608381 ESP Fit Center 2304 is at -1.726363 3.665502 1.608381 ESP Fit Center 2305 is at -1.949372 3.310585 1.608381 ESP Fit Center 2306 is at -4.645751 0.161923 1.696608 ESP Fit Center 2307 is at -4.757359 -0.254605 1.696608 ESP Fit Center 2308 is at -4.645751 -0.671133 1.696608 ESP Fit Center 2309 is at -4.522853 0.782114 1.467864 ESP Fit Center 2310 is at -4.841335 0.514876 1.467864 ESP Fit Center 2311 is at -5.049209 0.154827 1.467864 ESP Fit Center 2312 is at -5.121403 -0.254605 1.467864 ESP Fit Center 2313 is at -5.049209 -0.664038 1.467864 ESP Fit Center 2314 is at -4.841335 -1.024086 1.467864 ESP Fit Center 2315 is at -4.547889 1.110858 1.163848 ESP Fit Center 2316 is at -4.907325 0.879863 1.163848 ESP Fit Center 2317 is at -5.187122 0.556960 1.163848 ESP Fit Center 2318 is at -5.364613 0.168308 1.163848 ESP Fit Center 2319 is at -5.425419 -0.254605 1.163848 ESP Fit Center 2320 is at -5.364613 -0.677518 1.163848 ESP Fit Center 2321 is at -5.187122 -1.066170 1.163848 ESP Fit Center 2322 is at -4.907325 -1.389073 1.163848 ESP Fit Center 2323 is at -4.906975 1.169042 0.799804 ESP Fit Center 2324 is at -5.219122 0.892504 0.799804 ESP Fit Center 2325 is at -5.456018 0.549301 0.799804 ESP Fit Center 2326 is at -5.603896 0.159378 0.799804 ESP Fit Center 2327 is at -5.654163 -0.254605 0.799804 ESP Fit Center 2328 is at -5.603896 -0.668588 0.799804 ESP Fit Center 2329 is at -5.456018 -1.058511 0.799804 ESP Fit Center 2330 is at -5.219122 -1.401715 0.799804 ESP Fit Center 2331 is at -5.091389 1.208875 0.393987 ESP Fit Center 2332 is at -5.387783 0.912482 0.393987 ESP Fit Center 2333 is at -5.610792 0.557565 0.393987 ESP Fit Center 2334 is at -5.749233 0.161923 0.393987 ESP Fit Center 2335 is at -5.796164 -0.254605 0.393987 ESP Fit Center 2336 is at -5.749233 -0.671133 0.393987 ESP Fit Center 2337 is at -5.610792 -1.066775 0.393987 ESP Fit Center 2338 is at -5.387783 -1.421692 0.393987 ESP Fit Center 2339 is at -5.001782 1.334558 -0.033253 ESP Fit Center 2340 is at -5.318214 1.065778 -0.033253 ESP Fit Center 2341 is at -5.569468 0.735258 -0.033253 ESP Fit Center 2342 is at -5.743797 0.358454 -0.033253 ESP Fit Center 2343 is at -5.833047 -0.047017 -0.033253 ESP Fit Center 2344 is at -5.833047 -0.462194 -0.033253 ESP Fit Center 2345 is at -5.743797 -0.867664 -0.033253 ESP Fit Center 2346 is at -5.569468 -1.244468 -0.033253 ESP Fit Center 2347 is at -5.318214 -1.574988 -0.033253 ESP Fit Center 2348 is at -5.091389 1.208875 -0.460493 ESP Fit Center 2349 is at -5.387783 0.912482 -0.460493 ESP Fit Center 2350 is at -5.610792 0.557565 -0.460493 ESP Fit Center 2351 is at -5.749233 0.161923 -0.460493 ESP Fit Center 2352 is at -5.796164 -0.254605 -0.460493 ESP Fit Center 2353 is at -5.749233 -0.671133 -0.460493 ESP Fit Center 2354 is at -5.610792 -1.066775 -0.460493 ESP Fit Center 2355 is at -5.387783 -1.421692 -0.460493 ESP Fit Center 2356 is at -5.091389 -1.718085 -0.460493 ESP Fit Center 2357 is at -4.906975 1.169042 -0.866309 ESP Fit Center 2358 is at -5.219122 0.892504 -0.866309 ESP Fit Center 2359 is at -5.456018 0.549301 -0.866309 ESP Fit Center 2360 is at -5.603896 0.159378 -0.866309 ESP Fit Center 2361 is at -5.654163 -0.254605 -0.866309 ESP Fit Center 2362 is at -5.603896 -0.668588 -0.866309 ESP Fit Center 2363 is at -5.456018 -1.058511 -0.866309 ESP Fit Center 2364 is at -5.219122 -1.401715 -0.866309 ESP Fit Center 2365 is at -4.906975 -1.678252 -0.866309 ESP Fit Center 2366 is at -4.907325 0.879863 -1.230353 ESP Fit Center 2367 is at -5.187122 0.556960 -1.230353 ESP Fit Center 2368 is at -5.364613 0.168308 -1.230353 ESP Fit Center 2369 is at -5.425419 -0.254605 -1.230353 ESP Fit Center 2370 is at -5.364613 -0.677518 -1.230353 ESP Fit Center 2371 is at -5.187122 -1.066170 -1.230353 ESP Fit Center 2372 is at -4.907325 -1.389073 -1.230353 ESP Fit Center 2373 is at -4.522853 0.782114 -1.534369 ESP Fit Center 2374 is at -4.841335 0.514876 -1.534369 ESP Fit Center 2375 is at -5.049209 0.154827 -1.534369 ESP Fit Center 2376 is at -5.121403 -0.254605 -1.534369 ESP Fit Center 2377 is at -5.049209 -0.664038 -1.534369 ESP Fit Center 2378 is at -4.841335 -1.024086 -1.534369 ESP Fit Center 2379 is at -4.645751 0.161923 -1.763113 ESP Fit Center 2380 is at -4.757359 -0.254605 -1.763113 ESP Fit Center 2381 is at -4.645751 -0.671133 -1.763113 ESP Fit Center 2382 is at 1.920080 -0.682169 3.185287 ESP Fit Center 2383 is at 2.335675 -0.682169 3.158047 ESP Fit Center 2384 is at 2.127877 -0.322253 3.158047 ESP Fit Center 2385 is at 1.712282 -0.322253 3.158047 ESP Fit Center 2386 is at 1.504484 -0.682169 3.158047 ESP Fit Center 2387 is at 1.712282 -1.042085 3.158047 ESP Fit Center 2388 is at 2.127877 -1.042085 3.158047 ESP Fit Center 2389 is at 2.744160 -0.682169 3.076795 ESP Fit Center 2390 is at 2.633754 -0.270129 3.076795 ESP Fit Center 2391 is at 2.332120 0.031505 3.076795 ESP Fit Center 2392 is at 1.920080 0.141911 3.076795 ESP Fit Center 2393 is at 1.508040 0.031505 3.076795 ESP Fit Center 2394 is at 1.206406 -0.270129 3.076795 ESP Fit Center 2395 is at 1.096000 -0.682169 3.076795 ESP Fit Center 2396 is at 1.206406 -1.094209 3.076795 ESP Fit Center 2397 is at 1.508040 -1.395843 3.076795 ESP Fit Center 2398 is at 1.920080 -1.506249 3.076795 ESP Fit Center 2399 is at 2.332120 -1.395843 3.076795 ESP Fit Center 2400 is at 2.633754 -1.094209 3.076795 ESP Fit Center 2401 is at 3.138544 -0.682169 2.942919 ESP Fit Center 2402 is at 3.065061 -0.265430 2.942919 ESP Fit Center 2403 is at 2.853477 0.101045 2.942919 ESP Fit Center 2404 is at 2.529312 0.373052 2.942919 ESP Fit Center 2405 is at 2.131664 0.517784 2.942919 ESP Fit Center 2406 is at 1.708496 0.517784 2.942919 ESP Fit Center 2407 is at 1.310848 0.373052 2.942919 ESP Fit Center 2408 is at 0.986682 0.101045 2.942919 ESP Fit Center 2409 is at 0.775098 -0.265430 2.942919 ESP Fit Center 2410 is at 0.701616 -0.682169 2.942919 ESP Fit Center 2411 is at 0.775098 -1.098908 2.942919 ESP Fit Center 2412 is at 0.986682 -1.465382 2.942919 ESP Fit Center 2413 is at 1.310848 -1.737390 2.942919 ESP Fit Center 2414 is at 1.708496 -1.882122 2.942919 ESP Fit Center 2415 is at 2.131664 -1.882122 2.942919 ESP Fit Center 2416 is at 2.529312 -1.737390 2.942919 ESP Fit Center 2417 is at 2.853477 -1.465382 2.942919 ESP Fit Center 2418 is at 3.065061 -1.098908 2.942919 ESP Fit Center 2419 is at 3.512080 -0.682169 2.758712 ESP Fit Center 2420 is at 3.457834 -0.270129 2.758712 ESP Fit Center 2421 is at 3.298792 0.113831 2.758712 ESP Fit Center 2422 is at 3.045794 0.443545 2.758712 ESP Fit Center 2423 is at 2.716080 0.696544 2.758712 ESP Fit Center 2424 is at 0.794366 0.443545 2.758712 ESP Fit Center 2425 is at 0.541367 0.113831 2.758712 ESP Fit Center 2426 is at 0.382326 -0.270129 2.758712 ESP Fit Center 2427 is at 0.328080 -0.682169 2.758712 ESP Fit Center 2428 is at 0.382326 -1.094209 2.758712 ESP Fit Center 2429 is at 0.541367 -1.478169 2.758712 ESP Fit Center 2430 is at 0.794366 -1.807883 2.758712 ESP Fit Center 2431 is at 1.124080 -2.060881 2.758712 ESP Fit Center 2432 is at 1.508040 -2.219923 2.758712 ESP Fit Center 2433 is at 1.920080 -2.274169 2.758712 ESP Fit Center 2434 is at 2.332120 -2.219923 2.758712 ESP Fit Center 2435 is at 2.716080 -2.060881 2.758712 ESP Fit Center 2436 is at 3.045794 -1.807883 2.758712 ESP Fit Center 2437 is at 3.298792 -1.478169 2.758712 ESP Fit Center 2438 is at 3.457834 -1.094209 2.758712 ESP Fit Center 2439 is at 3.858376 -0.682169 2.527324 ESP Fit Center 2440 is at 3.813060 -0.265492 2.527324 ESP Fit Center 2441 is at 3.679230 0.131701 2.527324 ESP Fit Center 2442 is at 3.463144 0.490838 2.527324 ESP Fit Center 2443 is at 3.174906 0.795127 2.527324 ESP Fit Center 2444 is at 2.827994 1.030339 2.527324 ESP Fit Center 2445 is at 0.259237 0.317127 2.527324 ESP Fit Center 2446 is at 0.083247 -0.063268 2.527324 ESP Fit Center 2447 is at -0.006854 -0.472602 2.527324 ESP Fit Center 2448 is at -0.006854 -0.891736 2.527324 ESP Fit Center 2449 is at 0.083247 -1.301070 2.527324 ESP Fit Center 2450 is at 0.259237 -1.681465 2.527324 ESP Fit Center 2451 is at 0.512885 -2.015134 2.527324 ESP Fit Center 2452 is at 0.832333 -2.286476 2.527324 ESP Fit Center 2453 is at 1.202642 -2.482801 2.527324 ESP Fit Center 2454 is at 1.606498 -2.594931 2.527324 ESP Fit Center 2455 is at 2.025017 -2.617623 2.527324 ESP Fit Center 2456 is at 2.438629 -2.549814 2.527324 ESP Fit Center 2457 is at 2.827994 -2.394677 2.527324 ESP Fit Center 2458 is at 3.174906 -2.159465 2.527324 ESP Fit Center 2459 is at 3.463144 -1.855176 2.527324 ESP Fit Center 2460 is at 3.679230 -1.496038 2.527324 ESP Fit Center 2461 is at 3.813060 -1.098845 2.527324 ESP Fit Center 2462 is at 4.171508 -0.682169 2.252715 ESP Fit Center 2463 is at 4.130821 -0.256083 2.252715 ESP Fit Center 2464 is at 4.010233 0.154602 2.252715 ESP Fit Center 2465 is at 3.814101 0.535045 2.252715 ESP Fit Center 2466 is at 3.549515 0.871494 2.252715 ESP Fit Center 2467 is at 3.226036 1.151790 2.252715 ESP Fit Center 2468 is at 0.150338 -2.073909 2.252715 ESP Fit Center 2469 is at 0.445708 -2.383685 2.252715 ESP Fit Center 2470 is at 0.794366 -2.631963 2.252715 ESP Fit Center 2471 is at 1.183710 -2.809770 2.252715 ESP Fit Center 2472 is at 1.599668 -2.910681 2.252715 ESP Fit Center 2473 is at 2.027207 -2.931047 2.252715 ESP Fit Center 2474 is at 2.450874 -2.870133 2.252715 ESP Fit Center 2475 is at 2.855357 -2.730140 2.252715 ESP Fit Center 2476 is at 3.226036 -2.516128 2.252715 ESP Fit Center 2477 is at 3.549515 -2.235832 2.252715 ESP Fit Center 2478 is at 3.814101 -1.899383 2.252715 ESP Fit Center 2479 is at 4.010233 -1.518940 2.252715 ESP Fit Center 2480 is at 4.130821 -1.108254 2.252715 ESP Fit Center 2481 is at 4.446117 -0.682169 1.939583 ESP Fit Center 2482 is at 4.411665 -0.266397 1.939583 ESP Fit Center 2483 is at 4.309249 0.138034 1.939583 ESP Fit Center 2484 is at 4.141663 0.520092 1.939583 ESP Fit Center 2485 is at 3.913478 0.869355 1.939583 ESP Fit Center 2486 is at 3.630918 1.176297 1.939583 ESP Fit Center 2487 is at 3.301691 1.432545 1.939583 ESP Fit Center 2488 is at 0.538468 -2.796882 1.939583 ESP Fit Center 2489 is at 0.905382 -2.995446 1.939583 ESP Fit Center 2490 is at 1.299974 -3.130910 1.939583 ESP Fit Center 2491 is at 1.711481 -3.199578 1.939583 ESP Fit Center 2492 is at 2.128678 -3.199578 1.939583 ESP Fit Center 2493 is at 2.540185 -3.130910 1.939583 ESP Fit Center 2494 is at 2.934777 -2.995446 1.939583 ESP Fit Center 2495 is at 3.301691 -2.796882 1.939583 ESP Fit Center 2496 is at 3.630918 -2.540635 1.939583 ESP Fit Center 2497 is at 3.913478 -2.233693 1.939583 ESP Fit Center 2498 is at 4.141663 -1.884430 1.939583 ESP Fit Center 2499 is at 4.309249 -1.502372 1.939583 ESP Fit Center 2500 is at 4.411665 -1.097941 1.939583 ESP Fit Center 2501 is at 4.677505 -0.682169 1.593287 ESP Fit Center 2502 is at 4.645189 -0.261250 1.593287 ESP Fit Center 2503 is at 4.548999 0.149803 1.593287 ESP Fit Center 2504 is at 4.391189 0.541355 1.593287 ESP Fit Center 2505 is at 4.175458 0.904229 1.593287 ESP Fit Center 2506 is at 3.906864 1.229919 1.593287 ESP Fit Center 2507 is at 3.591701 1.510791 1.593287 ESP Fit Center 2508 is at 3.237356 1.740263 1.593287 ESP Fit Center 2509 is at 0.792104 -3.198329 1.593287 ESP Fit Center 2510 is at 1.189413 -3.341025 1.593287 ESP Fit Center 2511 is at 1.603849 -3.421401 1.593287 ESP Fit Center 2512 is at 2.025697 -3.437570 1.593287 ESP Fit Center 2513 is at 2.445069 -3.389156 1.593287 ESP Fit Center 2514 is at 2.852136 -3.277292 1.593287 ESP Fit Center 2515 is at 3.237356 -3.104600 1.593287 ESP Fit Center 2516 is at 3.591701 -2.875129 1.593287 ESP Fit Center 2517 is at 3.906864 -2.594257 1.593287 ESP Fit Center 2518 is at 4.175458 -2.268567 1.593287 ESP Fit Center 2519 is at 4.391189 -1.905693 1.593287 ESP Fit Center 2520 is at 4.548999 -1.514141 1.593287 ESP Fit Center 2521 is at 4.645189 -1.103088 1.593287 ESP Fit Center 2522 is at 4.861712 -0.682169 1.219751 ESP Fit Center 2523 is at 4.831771 -0.263531 1.219751 ESP Fit Center 2524 is at 4.742555 0.146585 1.219751 ESP Fit Center 2525 is at 4.595883 0.539829 1.219751 ESP Fit Center 2526 is at 4.394738 0.908198 1.219751 ESP Fit Center 2527 is at 4.143217 1.244191 1.219751 ESP Fit Center 2528 is at 3.846439 1.540969 1.219751 ESP Fit Center 2529 is at 3.510446 1.792490 1.219751 ESP Fit Center 2530 is at 1.091326 -3.504645 1.219751 ESP Fit Center 2531 is at 1.501442 -3.593860 1.219751 ESP Fit Center 2532 is at 1.920080 -3.623801 1.219751 ESP Fit Center 2533 is at 2.338718 -3.593860 1.219751 ESP Fit Center 2534 is at 2.748833 -3.504645 1.219751 ESP Fit Center 2535 is at 3.142078 -3.357972 1.219751 ESP Fit Center 2536 is at 3.510446 -3.156828 1.219751 ESP Fit Center 2537 is at 3.846439 -2.905306 1.219751 ESP Fit Center 2538 is at 4.143217 -2.608528 1.219751 ESP Fit Center 2539 is at 4.394738 -2.272535 1.219751 ESP Fit Center 2540 is at 4.595883 -1.904167 1.219751 ESP Fit Center 2541 is at 4.742555 -1.510923 1.219751 ESP Fit Center 2542 is at 4.831771 -1.100807 1.219751 ESP Fit Center 2543 is at 4.995588 -0.682169 0.825367 ESP Fit Center 2544 is at 4.966942 -0.263387 0.825367 ESP Fit Center 2545 is at 4.881539 0.147593 0.825367 ESP Fit Center 2546 is at 4.740970 0.543117 0.825367 ESP Fit Center 2547 is at 4.547853 0.915816 0.825367 ESP Fit Center 2548 is at 4.305786 1.258747 0.825367 ESP Fit Center 2549 is at 4.019277 1.565523 0.825367 ESP Fit Center 2550 is at 3.693665 1.830428 0.825367 ESP Fit Center 2551 is at 3.335013 2.048529 0.825367 ESP Fit Center 2552 is at 1.294349 -3.693350 0.825367 ESP Fit Center 2553 is at 1.710200 -3.750507 0.825367 ESP Fit Center 2554 is at 2.129960 -3.750507 0.825367 ESP Fit Center 2555 is at 2.545810 -3.693350 0.825367 ESP Fit Center 2556 is at 2.950005 -3.580100 0.825367 ESP Fit Center 2557 is at 3.335013 -3.412867 0.825367 ESP Fit Center 2558 is at 3.693665 -3.194766 0.825367 ESP Fit Center 2559 is at 4.019277 -2.929861 0.825367 ESP Fit Center 2560 is at 4.305786 -2.623085 0.825367 ESP Fit Center 2561 is at 4.547853 -2.280153 0.825367 ESP Fit Center 2562 is at 4.740970 -1.907455 0.825367 ESP Fit Center 2563 is at 4.881539 -1.511931 0.825367 ESP Fit Center 2564 is at 4.966942 -1.100950 0.825367 ESP Fit Center 2565 is at 5.076840 -0.682169 0.416882 ESP Fit Center 2566 is at 5.048674 -0.261414 0.416882 ESP Fit Center 2567 is at 4.964678 0.151833 0.416882 ESP Fit Center 2568 is at 4.826351 0.550197 0.416882 ESP Fit Center 2569 is at 4.636161 0.926569 0.416882 ESP Fit Center 2570 is at 4.397503 1.274233 0.416882 ESP Fit Center 2571 is at 4.114636 1.586985 0.416882 ESP Fit Center 2572 is at 3.792606 1.859244 0.416882 ESP Fit Center 2573 is at 3.437161 2.086152 0.416882 ESP Fit Center 2574 is at 3.054644 2.263659 0.416882 ESP Fit Center 2575 is at 1.395018 -3.794956 0.416882 ESP Fit Center 2576 is at 1.814597 -3.837166 0.416882 ESP Fit Center 2577 is at 2.236058 -3.823076 0.416882 ESP Fit Center 2578 is at 2.651880 -3.752935 0.416882 ESP Fit Center 2579 is at 3.054644 -3.627997 0.416882 ESP Fit Center 2580 is at 3.437161 -3.450490 0.416882 ESP Fit Center 2581 is at 3.792606 -3.223582 0.416882 ESP Fit Center 2582 is at 4.114636 -2.951323 0.416882 ESP Fit Center 2583 is at 4.397503 -2.638571 0.416882 ESP Fit Center 2584 is at 4.636161 -2.290907 0.416882 ESP Fit Center 2585 is at 4.826351 -1.914534 0.416882 ESP Fit Center 2586 is at 4.964678 -1.516170 0.416882 ESP Fit Center 2587 is at 5.048674 -1.102924 0.416882 ESP Fit Center 2588 is at 5.104080 -0.682169 0.001287 ESP Fit Center 2589 is at 5.076840 -0.266574 0.001287 ESP Fit Center 2590 is at 4.995588 0.141911 0.001287 ESP Fit Center 2591 is at 4.861712 0.536295 0.001287 ESP Fit Center 2592 is at 4.677505 0.909831 0.001287 ESP Fit Center 2593 is at 4.446117 1.256127 0.001287 ESP Fit Center 2594 is at 4.171508 1.569259 0.001287 ESP Fit Center 2595 is at 3.858376 1.843868 0.001287 ESP Fit Center 2596 is at 3.512080 2.075256 0.001287 ESP Fit Center 2597 is at 3.138544 2.259464 0.001287 ESP Fit Center 2598 is at 1.096000 -3.757677 0.001287 ESP Fit Center 2599 is at 1.504484 -3.838929 0.001287 ESP Fit Center 2600 is at 1.920080 -3.866169 0.001287 ESP Fit Center 2601 is at 2.335675 -3.838929 0.001287 ESP Fit Center 2602 is at 2.744160 -3.757677 0.001287 ESP Fit Center 2603 is at 3.138544 -3.623801 0.001287 ESP Fit Center 2604 is at 3.512080 -3.439594 0.001287 ESP Fit Center 2605 is at 3.858376 -3.208206 0.001287 ESP Fit Center 2606 is at 4.171508 -2.933597 0.001287 ESP Fit Center 2607 is at 4.446117 -2.620465 0.001287 ESP Fit Center 2608 is at 4.677505 -2.274169 0.001287 ESP Fit Center 2609 is at 4.861712 -1.900633 0.001287 ESP Fit Center 2610 is at 4.995588 -1.506249 0.001287 ESP Fit Center 2611 is at 5.076840 -1.097764 0.001287 ESP Fit Center 2612 is at 5.076840 -0.682169 -0.414309 ESP Fit Center 2613 is at 5.048674 -0.261414 -0.414309 ESP Fit Center 2614 is at 4.964678 0.151833 -0.414309 ESP Fit Center 2615 is at 4.826351 0.550197 -0.414309 ESP Fit Center 2616 is at 4.636161 0.926569 -0.414309 ESP Fit Center 2617 is at 4.397503 1.274233 -0.414309 ESP Fit Center 2618 is at 4.114636 1.586985 -0.414309 ESP Fit Center 2619 is at 3.792606 1.859244 -0.414309 ESP Fit Center 2620 is at 3.437161 2.086152 -0.414309 ESP Fit Center 2621 is at 3.054644 2.263659 -0.414309 ESP Fit Center 2622 is at 1.395018 -3.794956 -0.414309 ESP Fit Center 2623 is at 1.814597 -3.837166 -0.414309 ESP Fit Center 2624 is at 2.236058 -3.823076 -0.414309 ESP Fit Center 2625 is at 2.651880 -3.752935 -0.414309 ESP Fit Center 2626 is at 3.054644 -3.627997 -0.414309 ESP Fit Center 2627 is at 3.437161 -3.450490 -0.414309 ESP Fit Center 2628 is at 3.792606 -3.223582 -0.414309 ESP Fit Center 2629 is at 4.114636 -2.951323 -0.414309 ESP Fit Center 2630 is at 4.397503 -2.638571 -0.414309 ESP Fit Center 2631 is at 4.636161 -2.290907 -0.414309 ESP Fit Center 2632 is at 4.826351 -1.914534 -0.414309 ESP Fit Center 2633 is at 4.964678 -1.516170 -0.414309 ESP Fit Center 2634 is at 5.048674 -1.102924 -0.414309 ESP Fit Center 2635 is at 4.995588 -0.682169 -0.822793 ESP Fit Center 2636 is at 4.966942 -0.263387 -0.822793 ESP Fit Center 2637 is at 4.881539 0.147593 -0.822793 ESP Fit Center 2638 is at 4.740970 0.543117 -0.822793 ESP Fit Center 2639 is at 4.547853 0.915816 -0.822793 ESP Fit Center 2640 is at 4.305786 1.258747 -0.822793 ESP Fit Center 2641 is at 4.019277 1.565523 -0.822793 ESP Fit Center 2642 is at 3.693665 1.830428 -0.822793 ESP Fit Center 2643 is at 3.335013 2.048529 -0.822793 ESP Fit Center 2644 is at 1.294349 -3.693350 -0.822793 ESP Fit Center 2645 is at 1.710200 -3.750507 -0.822793 ESP Fit Center 2646 is at 2.129960 -3.750507 -0.822793 ESP Fit Center 2647 is at 2.545810 -3.693350 -0.822793 ESP Fit Center 2648 is at 2.950005 -3.580100 -0.822793 ESP Fit Center 2649 is at 3.335013 -3.412867 -0.822793 ESP Fit Center 2650 is at 3.693665 -3.194766 -0.822793 ESP Fit Center 2651 is at 4.019277 -2.929861 -0.822793 ESP Fit Center 2652 is at 4.305786 -2.623085 -0.822793 ESP Fit Center 2653 is at 4.547853 -2.280153 -0.822793 ESP Fit Center 2654 is at 4.740970 -1.907455 -0.822793 ESP Fit Center 2655 is at 4.881539 -1.511931 -0.822793 ESP Fit Center 2656 is at 4.966942 -1.100950 -0.822793 ESP Fit Center 2657 is at 4.861712 -0.682169 -1.217177 ESP Fit Center 2658 is at 4.831771 -0.263531 -1.217177 ESP Fit Center 2659 is at 4.742555 0.146585 -1.217177 ESP Fit Center 2660 is at 4.595883 0.539829 -1.217177 ESP Fit Center 2661 is at 4.394738 0.908198 -1.217177 ESP Fit Center 2662 is at 4.143217 1.244191 -1.217177 ESP Fit Center 2663 is at 3.846439 1.540969 -1.217177 ESP Fit Center 2664 is at 3.510446 1.792490 -1.217177 ESP Fit Center 2665 is at 3.142078 1.993634 -1.217177 ESP Fit Center 2666 is at 1.091326 -3.504645 -1.217177 ESP Fit Center 2667 is at 1.501442 -3.593860 -1.217177 ESP Fit Center 2668 is at 1.920080 -3.623801 -1.217177 ESP Fit Center 2669 is at 2.338718 -3.593860 -1.217177 ESP Fit Center 2670 is at 2.748833 -3.504645 -1.217177 ESP Fit Center 2671 is at 3.142078 -3.357972 -1.217177 ESP Fit Center 2672 is at 3.510446 -3.156828 -1.217177 ESP Fit Center 2673 is at 3.846439 -2.905306 -1.217177 ESP Fit Center 2674 is at 4.143217 -2.608528 -1.217177 ESP Fit Center 2675 is at 4.394738 -2.272535 -1.217177 ESP Fit Center 2676 is at 4.595883 -1.904167 -1.217177 ESP Fit Center 2677 is at 4.742555 -1.510923 -1.217177 ESP Fit Center 2678 is at 4.831771 -1.100807 -1.217177 ESP Fit Center 2679 is at 4.677505 -0.682169 -1.590713 ESP Fit Center 2680 is at 4.645189 -0.261250 -1.590713 ESP Fit Center 2681 is at 4.548999 0.149803 -1.590713 ESP Fit Center 2682 is at 4.391189 0.541355 -1.590713 ESP Fit Center 2683 is at 4.175458 0.904229 -1.590713 ESP Fit Center 2684 is at 3.906864 1.229919 -1.590713 ESP Fit Center 2685 is at 3.591701 1.510791 -1.590713 ESP Fit Center 2686 is at 3.237356 1.740263 -1.590713 ESP Fit Center 2687 is at 0.421233 -2.996656 -1.590713 ESP Fit Center 2688 is at 0.792104 -3.198329 -1.590713 ESP Fit Center 2689 is at 1.189413 -3.341025 -1.590713 ESP Fit Center 2690 is at 1.603849 -3.421401 -1.590713 ESP Fit Center 2691 is at 2.025697 -3.437570 -1.590713 ESP Fit Center 2692 is at 2.445069 -3.389156 -1.590713 ESP Fit Center 2693 is at 2.852136 -3.277292 -1.590713 ESP Fit Center 2694 is at 3.237356 -3.104600 -1.590713 ESP Fit Center 2695 is at 3.591701 -2.875129 -1.590713 ESP Fit Center 2696 is at 3.906864 -2.594257 -1.590713 ESP Fit Center 2697 is at 4.175458 -2.268567 -1.590713 ESP Fit Center 2698 is at 4.391189 -1.905693 -1.590713 ESP Fit Center 2699 is at 4.548999 -1.514141 -1.590713 ESP Fit Center 2700 is at 4.645189 -1.103088 -1.590713 ESP Fit Center 2701 is at 4.446117 -0.682169 -1.937010 ESP Fit Center 2702 is at 4.411665 -0.266397 -1.937010 ESP Fit Center 2703 is at 4.309249 0.138034 -1.937010 ESP Fit Center 2704 is at 4.141663 0.520092 -1.937010 ESP Fit Center 2705 is at 3.913478 0.869355 -1.937010 ESP Fit Center 2706 is at 3.630918 1.176297 -1.937010 ESP Fit Center 2707 is at 3.301691 1.432545 -1.937010 ESP Fit Center 2708 is at 2.934777 1.631108 -1.937010 ESP Fit Center 2709 is at 0.209241 -2.540635 -1.937010 ESP Fit Center 2710 is at 0.538468 -2.796882 -1.937010 ESP Fit Center 2711 is at 0.905382 -2.995446 -1.937010 ESP Fit Center 2712 is at 1.299974 -3.130910 -1.937010 ESP Fit Center 2713 is at 1.711481 -3.199578 -1.937010 ESP Fit Center 2714 is at 2.128678 -3.199578 -1.937010 ESP Fit Center 2715 is at 2.540185 -3.130910 -1.937010 ESP Fit Center 2716 is at 2.934777 -2.995446 -1.937010 ESP Fit Center 2717 is at 3.301691 -2.796882 -1.937010 ESP Fit Center 2718 is at 3.630918 -2.540635 -1.937010 ESP Fit Center 2719 is at 3.913478 -2.233693 -1.937010 ESP Fit Center 2720 is at 4.141663 -1.884430 -1.937010 ESP Fit Center 2721 is at 4.309249 -1.502372 -1.937010 ESP Fit Center 2722 is at 4.411665 -1.097941 -1.937010 ESP Fit Center 2723 is at 4.171508 -0.682169 -2.250141 ESP Fit Center 2724 is at 4.130821 -0.256083 -2.250141 ESP Fit Center 2725 is at 4.010233 0.154602 -2.250141 ESP Fit Center 2726 is at 3.814101 0.535045 -2.250141 ESP Fit Center 2727 is at 3.549515 0.871494 -2.250141 ESP Fit Center 2728 is at 3.226036 1.151790 -2.250141 ESP Fit Center 2729 is at 2.855357 1.365802 -2.250141 ESP Fit Center 2730 is at -0.240150 -1.316469 -2.250141 ESP Fit Center 2731 is at -0.081069 -1.713833 -2.250141 ESP Fit Center 2732 is at 0.150338 -2.073909 -2.250141 ESP Fit Center 2733 is at 0.445708 -2.383685 -2.250141 ESP Fit Center 2734 is at 0.794366 -2.631963 -2.250141 ESP Fit Center 2735 is at 1.183710 -2.809770 -2.250141 ESP Fit Center 2736 is at 1.599668 -2.910681 -2.250141 ESP Fit Center 2737 is at 2.027207 -2.931047 -2.250141 ESP Fit Center 2738 is at 2.450874 -2.870133 -2.250141 ESP Fit Center 2739 is at 2.855357 -2.730140 -2.250141 ESP Fit Center 2740 is at 3.226036 -2.516128 -2.250141 ESP Fit Center 2741 is at 3.549515 -2.235832 -2.250141 ESP Fit Center 2742 is at 3.814101 -1.899383 -2.250141 ESP Fit Center 2743 is at 4.010233 -1.518940 -2.250141 ESP Fit Center 2744 is at 4.130821 -1.108254 -2.250141 ESP Fit Center 2745 is at 3.858376 -0.682169 -2.524750 ESP Fit Center 2746 is at 3.813060 -0.265492 -2.524750 ESP Fit Center 2747 is at 3.679230 0.131701 -2.524750 ESP Fit Center 2748 is at 3.463144 0.490838 -2.524750 ESP Fit Center 2749 is at 3.174906 0.795127 -2.524750 ESP Fit Center 2750 is at 2.827994 1.030339 -2.524750 ESP Fit Center 2751 is at 2.438629 1.185477 -2.524750 ESP Fit Center 2752 is at 0.259237 0.317127 -2.524750 ESP Fit Center 2753 is at 0.083247 -0.063268 -2.524750 ESP Fit Center 2754 is at -0.006854 -0.472602 -2.524750 ESP Fit Center 2755 is at -0.006854 -0.891736 -2.524750 ESP Fit Center 2756 is at 0.083247 -1.301070 -2.524750 ESP Fit Center 2757 is at 0.259237 -1.681465 -2.524750 ESP Fit Center 2758 is at 0.512885 -2.015134 -2.524750 ESP Fit Center 2759 is at 0.832333 -2.286476 -2.524750 ESP Fit Center 2760 is at 1.202642 -2.482801 -2.524750 ESP Fit Center 2761 is at 1.606498 -2.594931 -2.524750 ESP Fit Center 2762 is at 2.025017 -2.617623 -2.524750 ESP Fit Center 2763 is at 2.438629 -2.549814 -2.524750 ESP Fit Center 2764 is at 2.827994 -2.394677 -2.524750 ESP Fit Center 2765 is at 3.174906 -2.159465 -2.524750 ESP Fit Center 2766 is at 3.463144 -1.855176 -2.524750 ESP Fit Center 2767 is at 3.679230 -1.496038 -2.524750 ESP Fit Center 2768 is at 3.813060 -1.098845 -2.524750 ESP Fit Center 2769 is at 3.512080 -0.682169 -2.756138 ESP Fit Center 2770 is at 3.457834 -0.270129 -2.756138 ESP Fit Center 2771 is at 3.298792 0.113831 -2.756138 ESP Fit Center 2772 is at 3.045794 0.443545 -2.756138 ESP Fit Center 2773 is at 2.716080 0.696544 -2.756138 ESP Fit Center 2774 is at 2.332120 0.855585 -2.756138 ESP Fit Center 2775 is at 1.920080 0.909831 -2.756138 ESP Fit Center 2776 is at 0.794366 0.443545 -2.756138 ESP Fit Center 2777 is at 0.541367 0.113831 -2.756138 ESP Fit Center 2778 is at 0.382326 -0.270129 -2.756138 ESP Fit Center 2779 is at 0.328080 -0.682169 -2.756138 ESP Fit Center 2780 is at 0.382326 -1.094209 -2.756138 ESP Fit Center 2781 is at 0.541367 -1.478169 -2.756138 ESP Fit Center 2782 is at 0.794366 -1.807883 -2.756138 ESP Fit Center 2783 is at 1.124080 -2.060881 -2.756138 ESP Fit Center 2784 is at 1.508040 -2.219923 -2.756138 ESP Fit Center 2785 is at 1.920080 -2.274169 -2.756138 ESP Fit Center 2786 is at 2.332120 -2.219923 -2.756138 ESP Fit Center 2787 is at 2.716080 -2.060881 -2.756138 ESP Fit Center 2788 is at 3.045794 -1.807883 -2.756138 ESP Fit Center 2789 is at 3.298792 -1.478169 -2.756138 ESP Fit Center 2790 is at 3.457834 -1.094209 -2.756138 ESP Fit Center 2791 is at 3.138544 -0.682169 -2.940346 ESP Fit Center 2792 is at 3.065061 -0.265430 -2.940346 ESP Fit Center 2793 is at 2.853477 0.101045 -2.940346 ESP Fit Center 2794 is at 2.529312 0.373052 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Fit Center 2813 is at 1.508040 0.031505 -3.074221 ESP Fit Center 2814 is at 1.206406 -0.270129 -3.074221 ESP Fit Center 2815 is at 1.096000 -0.682169 -3.074221 ESP Fit Center 2816 is at 1.206406 -1.094209 -3.074221 ESP Fit Center 2817 is at 1.508040 -1.395843 -3.074221 ESP Fit Center 2818 is at 1.920080 -1.506249 -3.074221 ESP Fit Center 2819 is at 2.332120 -1.395843 -3.074221 ESP Fit Center 2820 is at 2.633754 -1.094209 -3.074221 ESP Fit Center 2821 is at 2.335675 -0.682169 -3.155474 ESP Fit Center 2822 is at 2.127877 -0.322253 -3.155474 ESP Fit Center 2823 is at 1.712282 -0.322253 -3.155474 ESP Fit Center 2824 is at 1.504484 -0.682169 -3.155474 ESP Fit Center 2825 is at 1.712282 -1.042085 -3.155474 ESP Fit Center 2826 is at 2.127877 -1.042085 -3.155474 ESP Fit Center 2827 is at 1.920080 -0.682169 -3.182713 ESP Fit Center 2828 is at -0.210671 -2.953309 1.962543 ESP Fit Center 2829 is at -0.840820 -3.304756 1.820541 ESP Fit Center 2830 is at -0.424291 -3.416365 1.820541 ESP Fit Center 2831 is at -0.007763 -3.304756 1.820541 ESP Fit Center 2832 is at 0.297157 -2.999836 1.820541 ESP Fit Center 2833 is at -1.022842 -3.620027 1.591798 ESP Fit Center 2834 is at -0.632166 -3.762222 1.591798 ESP Fit Center 2835 is at -0.216417 -3.762222 1.591798 ESP Fit Center 2836 is at 0.174259 -3.620027 1.591798 ESP Fit Center 2837 is at 0.492741 -3.352789 1.591798 ESP Fit Center 2838 is at -1.407314 -3.717776 1.287782 ESP Fit Center 2839 is at -1.047878 -3.948772 1.287782 ESP Fit Center 2840 is at -0.637922 -4.069145 1.287782 ESP Fit Center 2841 is at -0.210660 -4.069145 1.287782 ESP Fit Center 2842 is at 0.199295 -3.948772 1.287782 ESP Fit Center 2843 is at 0.558731 -3.717776 1.287782 ESP Fit Center 2844 is at 0.838528 -3.394873 1.287782 ESP Fit Center 2845 is at -1.406964 -4.006955 0.923738 ESP Fit Center 2846 is at -1.037708 -4.200756 0.923738 ESP Fit Center 2847 is at -0.632803 -4.300556 0.923738 ESP Fit Center 2848 is at -0.215780 -4.300556 0.923738 ESP Fit Center 2849 is at 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-4.455170 -0.336559 ESP Fit Center 2868 is at -0.007763 -4.408238 -0.336559 ESP Fit Center 2869 is at 0.387879 -4.269797 -0.336559 ESP Fit Center 2870 is at 0.742795 -4.046788 -0.336559 ESP Fit Center 2871 is at 1.039189 -3.750395 -0.336559 ESP Fit Center 2872 is at -1.406964 -4.006955 -0.742376 ESP Fit Center 2873 is at -1.037708 -4.200756 -0.742376 ESP Fit Center 2874 is at -0.632803 -4.300556 -0.742376 ESP Fit Center 2875 is at -0.215780 -4.300556 -0.742376 ESP Fit Center 2876 is at 0.189126 -4.200756 -0.742376 ESP Fit Center 2877 is at 0.558381 -4.006955 -0.742376 ESP Fit Center 2878 is at 0.870528 -3.730418 -0.742376 ESP Fit Center 2879 is at -1.407314 -3.717776 -1.106419 ESP Fit Center 2880 is at -1.047878 -3.948772 -1.106419 ESP Fit Center 2881 is at -0.637922 -4.069145 -1.106419 ESP Fit Center 2882 is at -0.210660 -4.069145 -1.106419 ESP Fit Center 2883 is at 0.199295 -3.948772 -1.106419 ESP Fit Center 2884 is at 0.558731 -3.717776 -1.106419 ESP Fit Center 2885 is at -1.022842 -3.620027 -1.410435 ESP Fit Center 2886 is at -0.632166 -3.762222 -1.410435 ESP Fit Center 2887 is at -0.216417 -3.762222 -1.410435 ESP Fit Center 2888 is at 0.174259 -3.620027 -1.410435 ESP Fit Center 2889 is at 0.492741 -3.352789 -1.410435 ESP Fit Center 2890 is at -0.424291 -3.416365 -1.639179 ESP Fit Center 2891 is at -0.007763 -3.304756 -1.639179 ESP Fit Center 2892 is at 0.297157 -2.999836 -1.639179 ESP Fit Center 2893 is at 1.303644 1.839284 3.453673 ESP Fit Center 2894 is at 1.730884 1.839284 3.405534 ESP Fit Center 2895 is at 1.090023 1.469283 3.405534 ESP Fit Center 2896 is at 1.517264 1.469283 3.405534 ESP Fit Center 2897 is at 2.136700 1.839284 3.263533 ESP Fit Center 2898 is at 2.025092 2.255812 3.263533 ESP Fit Center 2899 is at 0.887115 1.117836 3.263533 ESP Fit Center 2900 is at 1.303644 1.006227 3.263533 ESP Fit Center 2901 is at 1.720172 1.117836 3.263533 ESP Fit Center 2902 is at 2.025092 1.422755 3.263533 ESP Fit Center 2903 is at 2.500744 1.839284 3.034789 ESP Fit Center 2904 is at 2.428550 2.248716 3.034789 ESP Fit Center 2905 is at 2.220676 2.608765 3.034789 ESP Fit Center 2906 is at 0.705093 0.802565 3.034789 ESP Fit Center 2907 is at 1.095769 0.660370 3.034789 ESP Fit Center 2908 is at 1.511518 0.660370 3.034789 ESP Fit Center 2909 is at 1.902194 0.802565 3.034789 ESP Fit Center 2910 is at 2.220676 1.069803 3.034789 ESP Fit Center 2911 is at 2.428550 1.429851 3.034789 ESP Fit Center 2912 is at 2.804760 1.839284 2.730773 ESP Fit Center 2913 is at 2.743954 2.262197 2.730773 ESP Fit Center 2914 is at 2.566463 2.650849 2.730773 ESP Fit Center 2915 is at 0.680057 0.473820 2.730773 ESP Fit Center 2916 is at 2.566463 1.027719 2.730773 ESP Fit Center 2917 is at 2.743954 1.416371 2.730773 ESP Fit Center 2918 is at 3.033504 1.839284 2.366729 ESP Fit Center 2919 is at 2.983237 2.253267 2.366729 ESP Fit Center 2920 is at 2.835359 2.643190 2.366729 ESP Fit Center 2921 is at 2.598462 2.986393 2.366729 ESP Fit Center 2922 is at 2.983237 1.425301 2.366729 ESP Fit Center 2923 is at 3.175505 1.839284 1.960913 ESP Fit Center 2924 is at 3.128574 2.255812 1.960913 ESP Fit Center 2925 is at 2.990133 2.651454 1.960913 ESP Fit Center 2926 is at 2.767124 3.006370 1.960913 ESP Fit Center 2927 is at 3.223644 1.839284 1.533673 ESP Fit Center 2928 is at 3.178755 2.252027 1.533673 ESP Fit Center 2929 is at 3.046188 2.645471 1.533673 ESP Fit Center 2930 is at 2.832142 3.001218 1.533673 ESP Fit Center 2931 is at 3.128574 2.255812 1.106432 ESP Fit Center 2932 is at 2.990133 2.651454 1.106432 ESP Fit Center 2933 is at 2.983237 2.253267 0.700616 ESP Fit Center 2934 is at 2.835359 2.643190 0.700616 ESP Fit Center 2935 is at 0.625750 4.198901 -1.982179 ESP Fit Center 2936 is at 0.211182 4.176424 -1.982179 ESP Fit Center 2937 is at -0.188862 4.065352 -1.982179 ESP Fit Center 2938 is at -0.555676 3.870880 -1.982179 ESP Fit Center 2939 is at 1.333974 3.968206 -2.409419 ESP Fit Center 2940 is at 0.938332 4.106647 -2.409419 ESP Fit Center 2941 is at 0.521803 4.153579 -2.409419 ESP Fit Center 2942 is at 0.105275 4.106647 -2.409419 ESP Fit Center 2943 is at -0.290367 3.968206 -2.409419 ESP Fit Center 2944 is at -0.645283 3.745197 -2.409419 ESP Fit Center 2945 is at -0.941677 3.448804 -2.409419 ESP Fit Center 2946 is at -1.164686 3.093887 -2.409419 ESP Fit Center 2947 is at -1.303127 2.698245 -2.409419 ESP Fit Center 2948 is at -1.350058 2.281717 -2.409419 ESP Fit Center 2949 is at -1.303127 1.865189 -2.409419 ESP Fit Center 2950 is at -1.164686 1.469547 -2.409419 ESP Fit Center 2951 is at -0.290367 0.595228 -2.409419 ESP Fit Center 2952 is at 0.105275 0.456787 -2.409419 ESP Fit Center 2953 is at 2.201397 2.695700 -2.815235 ESP Fit Center 2954 is at 2.053518 3.085623 -2.815235 ESP Fit Center 2955 is at 1.816622 3.428827 -2.815235 ESP Fit Center 2956 is at 1.504476 3.705364 -2.815235 ESP Fit Center 2957 is at 1.135220 3.899164 -2.815235 ESP Fit Center 2958 is at 0.730315 3.998965 -2.815235 ESP Fit Center 2959 is at 0.313292 3.998965 -2.815235 ESP Fit Center 2960 is at -0.091614 3.899164 -2.815235 ESP Fit Center 2961 is at -0.460869 3.705364 -2.815235 ESP Fit Center 2962 is at -0.773016 3.428827 -2.815235 ESP Fit Center 2963 is at -1.009912 3.085623 -2.815235 ESP Fit Center 2964 is at -1.157790 2.695700 -2.815235 ESP Fit Center 2965 is at -1.208057 2.281717 -2.815235 ESP Fit Center 2966 is at -1.157790 1.867734 -2.815235 ESP Fit Center 2967 is at -1.009912 1.477811 -2.815235 ESP Fit Center 2968 is at -0.773016 1.134608 -2.815235 ESP Fit Center 2969 is at -0.460869 0.858070 -2.815235 ESP Fit Center 2970 is at -0.091614 0.664270 -2.815235 ESP Fit Center 2971 is at 0.313292 0.564469 -2.815235 ESP Fit Center 2972 is at 0.730315 0.564469 -2.815235 ESP Fit Center 2973 is at 1.135220 0.664270 -2.815235 ESP Fit Center 2974 is at 1.504476 0.858070 -2.815235 ESP Fit Center 2975 is at 2.022920 2.281717 -3.179279 ESP Fit Center 2976 is at 1.962114 2.704630 -3.179279 ESP Fit Center 2977 is at 1.784623 3.093282 -3.179279 ESP Fit Center 2978 is at 1.504825 3.416185 -3.179279 ESP Fit Center 2979 is at 1.145390 3.647181 -3.179279 ESP Fit Center 2980 is at 0.735434 3.767554 -3.179279 ESP Fit Center 2981 is at 0.308172 3.767554 -3.179279 ESP Fit Center 2982 is at -0.101783 3.647181 -3.179279 ESP Fit Center 2983 is at -0.461219 3.416185 -3.179279 ESP Fit Center 2984 is at -0.741016 3.093282 -3.179279 ESP Fit Center 2985 is at -0.918507 2.704630 -3.179279 ESP Fit Center 2986 is at -0.979313 2.281717 -3.179279 ESP Fit Center 2987 is at -0.918507 1.858804 -3.179279 ESP Fit Center 2988 is at -0.741016 1.470152 -3.179279 ESP Fit Center 2989 is at -0.461219 1.147249 -3.179279 ESP Fit Center 2990 is at -0.101783 0.916253 -3.179279 ESP Fit Center 2991 is at 0.308172 0.795880 -3.179279 ESP Fit Center 2992 is at 0.735434 0.795880 -3.179279 ESP Fit Center 2993 is at 1.145390 0.916253 -3.179279 ESP Fit Center 2994 is at 1.504825 1.147249 -3.179279 ESP Fit Center 2995 is at 1.784623 1.470152 -3.179279 ESP Fit Center 2996 is at 1.962114 1.858804 -3.179279 ESP Fit Center 2997 is at 1.718904 2.281717 -3.483295 ESP Fit Center 2998 is at 1.646710 2.691149 -3.483295 ESP Fit Center 2999 is at 1.438835 3.051198 -3.483295 ESP Fit Center 3000 is at 1.120353 3.318436 -3.483295 ESP Fit Center 3001 is at 0.729678 3.460631 -3.483295 ESP Fit Center 3002 is at 0.313929 3.460631 -3.483295 ESP Fit Center 3003 is at -0.076747 3.318436 -3.483295 ESP Fit Center 3004 is at -0.395229 3.051198 -3.483295 ESP Fit Center 3005 is at -0.603103 2.691149 -3.483295 ESP Fit Center 3006 is at -0.675297 2.281717 -3.483295 ESP Fit Center 3007 is at -0.603103 1.872285 -3.483295 ESP Fit Center 3008 is at -0.395229 1.512236 -3.483295 ESP Fit Center 3009 is at -0.076747 1.244998 -3.483295 ESP Fit Center 3010 is at 0.313929 1.102803 -3.483295 ESP Fit Center 3011 is at 0.729678 1.102803 -3.483295 ESP Fit Center 3012 is at 1.120353 1.244998 -3.483295 ESP Fit Center 3013 is at 1.438835 1.512236 -3.483295 ESP Fit Center 3014 is at 1.646710 1.872285 -3.483295 ESP Fit Center 3015 is at 1.354860 2.281717 -3.712039 ESP Fit Center 3016 is at 1.243252 2.698245 -3.712039 ESP Fit Center 3017 is at 0.938332 3.003165 -3.712039 ESP Fit Center 3018 is at 0.521803 3.114774 -3.712039 ESP Fit Center 3019 is at 0.105275 3.003165 -3.712039 ESP Fit Center 3020 is at -0.199645 2.698245 -3.712039 ESP Fit Center 3021 is at -0.311254 2.281717 -3.712039 ESP Fit Center 3022 is at -0.199645 1.865189 -3.712039 ESP Fit Center 3023 is at 0.105275 1.560269 -3.712039 ESP Fit Center 3024 is at 0.521803 1.448660 -3.712039 ESP Fit Center 3025 is at 0.938332 1.560269 -3.712039 ESP Fit Center 3026 is at 1.243252 1.865189 -3.712039 ESP Fit Center 3027 is at 0.949043 2.281717 -3.854040 ESP Fit Center 3028 is at 0.735423 2.651718 -3.854040 ESP Fit Center 3029 is at 0.308183 2.651718 -3.854040 ESP Fit Center 3030 is at 0.094563 2.281717 -3.854040 ESP Fit Center 3031 is at 0.308183 1.911716 -3.854040 ESP Fit Center 3032 is at 0.735423 1.911716 -3.854040 ESP Fit Center 3033 is at 0.521803 2.281717 -3.902179 ESP Fit Center 3034 is at 0.282879 4.769363 -0.508171 ESP Fit Center 3035 is at 0.077758 4.694519 -0.920143 ESP Fit Center 3036 is at 0.920379 2.509191 3.924609 ESP Fit Center 3037 is at 1.332351 2.509191 3.825703 ESP Fit Center 3038 is at 1.220570 2.926364 3.825703 ESP Fit Center 3039 is at 0.915178 3.231755 3.825703 ESP Fit Center 3040 is at 0.915178 1.786626 3.825703 ESP Fit Center 3041 is at 1.220570 2.092018 3.825703 ESP Fit Center 3042 is at 1.723780 2.509191 3.663568 ESP Fit Center 3043 is at 1.649857 2.928430 3.663568 ESP Fit Center 3044 is at 1.437003 3.297103 3.663568 ESP Fit Center 3045 is at 1.110893 3.570742 3.663568 ESP Fit Center 3046 is at 0.710859 3.716343 3.663568 ESP Fit Center 3047 is at 0.710859 1.302038 3.663568 ESP Fit Center 3048 is at 1.110893 1.447639 3.663568 ESP Fit Center 3049 is at 1.649857 2.089951 3.663568 ESP Fit Center 3050 is at 2.085026 2.509191 3.442196 ESP Fit Center 3051 is at 2.030949 2.919942 3.442196 ESP Fit Center 3052 is at 1.872405 3.302701 3.442196 ESP Fit Center 3053 is at 1.620198 3.631383 3.442196 ESP Fit Center 3054 is at 1.291516 3.883590 3.442196 ESP Fit Center 3055 is at 0.908757 4.042134 3.442196 ESP Fit Center 3056 is at 0.498006 4.096211 3.442196 ESP Fit Center 3057 is at 0.498006 0.922170 3.442196 ESP Fit Center 3058 is at 2.359327 2.934025 3.167039 ESP Fit Center 3059 is at 2.218125 3.337556 3.167039 ESP Fit Center 3060 is at 1.990669 3.699550 3.167039 ESP Fit Center 3061 is at 1.688365 4.001854 3.167039 ESP Fit Center 3062 is at 0.922840 4.370512 3.167039 ESP Fit Center 3063 is at 0.498006 4.418379 3.167039 ESP Fit Center 3064 is at 0.073171 4.370512 3.167039 ESP Fit Center 3065 is at 0.073171 0.647870 3.167039 ESP Fit Center 3066 is at 0.498006 0.600002 3.167039 ESP Fit Center 3067 is at 2.642877 2.922581 2.844871 ESP Fit Center 3068 is at 2.525882 3.321030 2.844871 ESP Fit Center 3069 is at 2.335594 3.690137 2.844871 ESP Fit Center 3070 is at -0.216424 4.573399 2.844871 ESP Fit Center 3071 is at -0.216424 0.444982 2.844871 ESP Fit Center 3072 is at 2.758641 3.331994 2.483625 ESP Fit Center 3073 is at -0.324798 4.769826 2.483625 ESP Fit Center 3074 is at -0.704853 4.592603 2.483625 ESP Fit Center 3075 is at 2.926725 3.342971 2.092196 ESP Fit Center 3076 is at -0.533489 4.860761 2.092196 ESP Fit Center 3077 is at -0.906477 4.658911 2.092196 ESP Fit Center 3078 is at 3.034244 3.333264 1.680224 ESP Fit Center 3079 is at -0.712677 4.885290 1.680224 ESP Fit Center 3080 is at -1.069476 4.666644 1.680224 ESP Fit Center 3081 is at -1.387677 4.394874 1.680224 ESP Fit Center 3082 is at 3.166363 2.921344 1.257851 ESP Fit Center 3083 is at 3.072176 3.323836 1.257851 ESP Fit Center 3084 is at -0.969627 4.775477 1.257851 ESP Fit Center 3085 is at -1.298374 4.524884 1.257851 ESP Fit Center 3086 is at -1.585015 4.227045 1.257851 ESP Fit Center 3087 is at 3.131932 2.926364 0.835477 ESP Fit Center 3088 is at 3.034244 3.333264 0.835477 ESP Fit Center 3089 is at -1.069476 4.666644 0.835477 ESP Fit Center 3090 is at 3.030836 2.931845 0.423505 ESP Fit Center 3091 is at 2.926725 3.342971 0.423505 ESP Fit Center 3092 is at 3.018520 2.986145 -0.086337 ESP Fit Center 3093 is at 2.828696 3.367363 -0.086337 ESP Fit Center 3094 is at 3.162173 2.988007 -0.479986 ESP Fit Center 3095 is at 2.982212 3.373934 -0.479986 ESP Fit Center 3096 is at 2.737970 3.722748 -0.479986 ESP Fit Center 3097 is at 2.436867 4.023851 -0.479986 ESP Fit Center 3098 is at 2.088053 4.268093 -0.479986 ESP Fit Center 3099 is at 3.341877 2.576917 -0.890509 ESP Fit Center 3100 is at 3.234544 2.989135 -0.890509 ESP Fit Center 3101 is at 3.059090 3.377283 -0.890509 ESP Fit Center 3102 is at 2.820562 3.730197 -0.890509 ESP Fit Center 3103 is at 2.525822 4.037723 -0.890509 ESP Fit Center 3104 is at 2.183350 4.291014 -0.890509 ESP Fit Center 3105 is at 1.802997 4.482784 -0.890509 ESP Fit Center 3106 is at 1.395707 4.607515 -0.890509 ESP Fit Center 3107 is at 0.973195 4.661620 -0.890509 ESP Fit Center 3108 is at 0.547617 4.643542 -0.890509 ESP Fit Center 3109 is at 3.341877 2.576917 -1.306709 ESP Fit Center 3110 is at 3.234544 2.989135 -1.306709 ESP Fit Center 3111 is at 3.059090 3.377283 -1.306709 ESP Fit Center 3112 is at 2.820562 3.730197 -1.306709 ESP Fit Center 3113 is at 2.525822 4.037723 -1.306709 ESP Fit Center 3114 is at 2.183350 4.291014 -1.306709 ESP Fit Center 3115 is at 1.802997 4.482784 -1.306709 ESP Fit Center 3116 is at 1.395707 4.607515 -1.306709 ESP Fit Center 3117 is at 0.973195 4.661620 -1.306709 ESP Fit Center 3118 is at 0.547617 4.643542 -1.306709 ESP Fit Center 3119 is at 0.131215 4.553800 -1.306709 ESP Fit Center 3120 is at 3.309497 2.152490 -1.717233 ESP Fit Center 3121 is at 3.272384 2.576693 -1.717233 ESP Fit Center 3122 is at 3.162173 2.988007 -1.717233 ESP Fit Center 3123 is at 2.982212 3.373934 -1.717233 ESP Fit Center 3124 is at 2.737970 3.722748 -1.717233 ESP Fit Center 3125 is at 2.436867 4.023851 -1.717233 ESP Fit Center 3126 is at 2.088053 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Center 3236 is at -2.464415 -4.828866 1.095959 ESP Fit Center 3237 is at -2.067308 -4.675026 1.095959 ESP Fit Center 3238 is at -1.705231 -4.450838 1.095959 ESP Fit Center 3239 is at -5.391525 -1.773697 0.702310 ESP Fit Center 3240 is at -5.501736 -2.185011 0.702310 ESP Fit Center 3241 is at -5.538849 -2.609214 0.702310 ESP Fit Center 3242 is at -5.501736 -3.033417 0.702310 ESP Fit Center 3243 is at -5.391525 -3.444731 0.702310 ESP Fit Center 3244 is at -5.211564 -3.830659 0.702310 ESP Fit Center 3245 is at -4.967321 -4.179473 0.702310 ESP Fit Center 3246 is at -4.666219 -4.480576 0.702310 ESP Fit Center 3247 is at -4.317404 -4.724818 0.702310 ESP Fit Center 3248 is at -3.931477 -4.904779 0.702310 ESP Fit Center 3249 is at -3.520163 -5.014990 0.702310 ESP Fit Center 3250 is at -3.095960 -5.052103 0.702310 ESP Fit Center 3251 is at -2.671757 -5.014990 0.702310 ESP Fit Center 3252 is at -2.260443 -4.904779 0.702310 ESP Fit Center 3253 is at -1.874516 -4.724818 0.702310 ESP Fit Center 3254 is at -1.525702 -4.480576 0.702310 ESP Fit Center 3255 is at -5.526318 -1.976398 0.291786 ESP Fit Center 3256 is at -5.598306 -2.396233 0.291786 ESP Fit Center 3257 is at -5.598306 -2.822195 0.291786 ESP Fit Center 3258 is at -5.526318 -3.242030 0.291786 ESP Fit Center 3259 is at -5.384413 -3.643660 0.291786 ESP Fit Center 3260 is at -5.176673 -4.015531 0.291786 ESP Fit Center 3261 is at -4.909076 -4.346945 0.291786 ESP Fit Center 3262 is at -4.589318 -4.628367 0.291786 ESP Fit Center 3263 is at -4.226599 -4.851702 0.291786 ESP Fit Center 3264 is at -3.831353 -5.010525 0.291786 ESP Fit Center 3265 is at -3.414952 -5.100266 0.291786 ESP Fit Center 3266 is at -2.989374 -5.118344 0.291786 ESP Fit Center 3267 is at -2.566862 -5.064240 0.291786 ESP Fit Center 3268 is at -2.159571 -4.939508 0.291786 ESP Fit Center 3269 is at -1.779219 -4.747739 0.291786 ESP Fit Center 3270 is at -1.436746 -4.494447 0.291786 ESP Fit Center 3271 is at -5.526318 -1.976398 -0.124414 ESP Fit Center 3272 is 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3290 is at -5.501736 -3.033417 -0.534937 ESP Fit Center 3291 is at -5.391525 -3.444731 -0.534937 ESP Fit Center 3292 is at -5.211564 -3.830659 -0.534937 ESP Fit Center 3293 is at -4.967321 -4.179473 -0.534937 ESP Fit Center 3294 is at -4.666219 -4.480576 -0.534937 ESP Fit Center 3295 is at -4.317404 -4.724818 -0.534937 ESP Fit Center 3296 is at -3.931477 -4.904779 -0.534937 ESP Fit Center 3297 is at -3.520163 -5.014990 -0.534937 ESP Fit Center 3298 is at -3.095960 -5.052103 -0.534937 ESP Fit Center 3299 is at -2.671757 -5.014990 -0.534937 ESP Fit Center 3300 is at -2.260443 -4.904779 -0.534937 ESP Fit Center 3301 is at -1.874516 -4.724818 -0.534937 ESP Fit Center 3302 is at -1.525702 -4.480576 -0.534937 ESP Fit Center 3303 is at -5.247872 -1.775559 -0.928586 ESP Fit Center 3304 is at -5.364415 -2.185167 -0.928586 ESP Fit Center 3305 is at -5.403709 -2.609214 -0.928586 ESP Fit Center 3306 is at -5.364415 -3.033262 -0.928586 ESP Fit Center 3307 is at -5.247872 -3.442869 -0.928586 ESP Fit Center 3308 is at -5.058048 -3.824087 -0.928586 ESP Fit Center 3309 is at -4.801407 -4.163935 -0.928586 ESP Fit Center 3310 is at -4.486689 -4.450838 -0.928586 ESP Fit Center 3311 is at -4.124612 -4.675026 -0.928586 ESP Fit Center 3312 is at -3.727506 -4.828866 -0.928586 ESP Fit Center 3313 is at -3.308892 -4.907119 -0.928586 ESP Fit Center 3314 is at -2.883028 -4.907119 -0.928586 ESP Fit Center 3315 is at -2.464415 -4.828866 -0.928586 ESP Fit Center 3316 is at -2.067308 -4.675026 -0.928586 ESP Fit Center 3317 is at -1.705231 -4.450838 -0.928586 ESP Fit Center 3318 is at -5.108869 -1.977660 -1.294623 ESP Fit Center 3319 is at -5.194796 -2.395784 -1.294623 ESP Fit Center 3320 is at -5.194796 -2.822645 -1.294623 ESP Fit Center 3321 is at -5.108869 -3.240769 -1.294623 ESP Fit Center 3322 is at -4.940534 -3.633036 -1.294623 ESP Fit Center 3323 is at -4.696681 -3.983388 -1.294623 ESP Fit Center 3324 is at -4.387295 -4.277482 -1.294623 ESP Fit Center 3325 is at -4.025042 -4.503276 -1.294623 ESP Fit Center 3326 is at -3.624752 -4.651527 -1.294623 ESP Fit Center 3327 is at -3.202813 -4.716166 -1.294623 ESP Fit Center 3328 is at -2.776499 -4.694546 -1.294623 ESP Fit Center 3329 is at -2.363264 -4.587552 -1.294623 ESP Fit Center 3330 is at -1.980026 -4.399565 -1.294623 ESP Fit Center 3331 is at -1.642475 -4.138280 -1.294623 ESP Fit Center 3332 is at -4.838173 -1.975101 -1.623063 ESP Fit Center 3333 is at -4.937448 -2.393975 -1.623063 ESP Fit Center 3334 is at -4.937448 -2.824453 -1.623063 ESP Fit Center 3335 is at -4.838173 -3.243328 -1.623063 ESP Fit Center 3336 is at -4.644975 -3.628017 -1.623063 ESP Fit Center 3337 is at -4.368269 -3.957783 -1.623063 ESP Fit Center 3338 is at -4.022972 -4.214846 -1.623063 ESP Fit Center 3339 is at -3.627700 -4.385350 -1.623063 ESP Fit Center 3340 is at -3.203762 -4.460102 -1.623063 ESP Fit Center 3341 is at -2.774012 -4.435072 -1.623063 ESP Fit Center 3342 is at -2.361619 -4.311609 -1.623063 ESP Fit Center 3343 is at -1.988814 -4.096370 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-2.833491 -2.355297 ESP Fit Center 3744 is at -0.688214 -2.833491 -2.355297 ESP Fit Center 3745 is at -0.288180 -2.687890 -2.355297 ESP Fit Center 3746 is at -1.318240 -0.903774 -2.517432 ESP Fit Center 3747 is at -1.623632 -2.043511 -2.517432 ESP Fit Center 3748 is at -1.318240 -2.348903 -2.517432 ESP Fit Center 3749 is at -0.901067 -2.460684 -2.517432 ESP Fit Center 3750 is at -0.483895 -2.348903 -2.517432 ESP Fit Center 3751 is at -0.478694 -1.626338 -2.616338 ESP Fit Center 3752 is at -0.689881 -1.260553 -2.616338 ESP Fit Center 3753 is at -1.112254 -1.260553 -2.616338 ESP Fit Center 3754 is at -1.323441 -1.626338 -2.616338 ESP Fit Center 3755 is at -1.112254 -1.992124 -2.616338 ESP Fit Center 3756 is at -0.689881 -1.992124 -2.616338 ESP Fit Center 3757 is at -0.901067 -1.626338 -2.649579 ESP Fit Center 3758 is at -1.797501 4.083439 1.204453 ESP Fit Center 3759 is at -1.431799 4.556164 0.877134 ESP Fit Center 3760 is at -1.814695 4.390999 0.877134 ESP Fit Center 3761 is at 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-0.744292 ESP Fit Center 3780 is at -1.330006 4.913430 -0.744292 ESP Fit Center 3781 is at -1.727421 4.792875 -0.744292 ESP Fit Center 3782 is at -2.093681 4.597105 -0.744292 ESP Fit Center 3783 is at -0.300040 4.733549 -1.149494 ESP Fit Center 3784 is at -0.708113 4.820288 -1.149494 ESP Fit Center 3785 is at -1.125303 4.820288 -1.149494 ESP Fit Center 3786 is at -1.533376 4.733549 -1.149494 ESP Fit Center 3787 is at -1.914498 4.563863 -1.149494 ESP Fit Center 3788 is at -2.252011 4.318645 -1.149494 ESP Fit Center 3789 is at -0.205359 4.484732 -1.522929 ESP Fit Center 3790 is at -0.604840 4.604329 -1.522929 ESP Fit Center 3791 is at -1.021135 4.628576 -1.522929 ESP Fit Center 3792 is at -1.431799 4.556164 -1.522929 ESP Fit Center 3793 is at -1.814695 4.390999 -1.522929 ESP Fit Center 3794 is at -2.149180 4.141984 -1.522929 ESP Fit Center 3795 is at -0.605959 4.331044 -1.850248 ESP Fit Center 3796 is at -1.020938 4.359430 -1.850248 ESP Fit Center 3797 is at -1.428187 4.274803 -1.850248 ESP Fit Center 3798 is at -1.797501 4.083439 -1.850248 ESP Fit Center 3799 is at -2.101491 3.799532 -1.850248 ESP Fit Center 3800 is at -1.125091 4.017440 -2.118872 ESP Fit Center 3801 is at -1.516724 3.874898 -2.118872 ESP Fit Center 3802 is at -1.835986 3.607005 -2.118872 ESP Fit Center 3803 is at -1.330006 3.551493 -2.318477 ESP Fit Center 3804 is at -1.632561 3.248938 -2.318477 ESP Fit Center 3805 is at -1.743304 2.835640 -2.318477 ESP Fit Center 3806 is at -1.632561 2.422342 -2.318477 ESP Fit Center 3807 is at 1.316956 4.230500 3.172251 ESP Fit Center 3808 is at 2.031319 3.925081 2.972645 ESP Fit Center 3809 is at 1.822936 4.286012 2.972645 ESP Fit Center 3810 is at 1.503674 4.553904 2.972645 ESP Fit Center 3811 is at 1.112042 4.696447 2.972645 ESP Fit Center 3812 is at 0.695275 4.696447 2.972645 ESP Fit Center 3813 is at 2.374371 3.926721 2.704021 ESP Fit Center 3814 is at 2.208656 4.308233 2.704021 ESP Fit Center 3815 is at 1.946156 4.630889 2.704021 ESP Fit Center 3816 is at 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is at 1.901448 5.242869 2.003267 ESP Fit Center 3836 is at 1.520326 5.412556 2.003267 ESP Fit Center 3837 is at 1.112253 5.499294 2.003267 ESP Fit Center 3838 is at 0.695063 5.499294 2.003267 ESP Fit Center 3839 is at 0.286990 5.412556 2.003267 ESP Fit Center 3840 is at -0.094132 5.242869 2.003267 ESP Fit Center 3841 is at -0.431645 4.997651 2.003267 ESP Fit Center 3842 is at 3.022155 3.514646 1.598066 ESP Fit Center 3843 is at 2.981448 3.927945 1.598066 ESP Fit Center 3844 is at 2.860894 4.325360 1.598066 ESP Fit Center 3845 is at 2.665124 4.691620 1.598066 ESP Fit Center 3846 is at 2.401661 5.012650 1.598066 ESP Fit Center 3847 is at 2.080632 5.276112 1.598066 ESP Fit Center 3848 is at 1.714372 5.471882 1.598066 ESP Fit Center 3849 is at 1.316956 5.592436 1.598066 ESP Fit Center 3850 is at 0.903658 5.633143 1.598066 ESP Fit Center 3851 is at 0.490360 5.592436 1.598066 ESP Fit Center 3852 is at 0.092945 5.471882 1.598066 ESP Fit Center 3853 is at -0.273315 5.276112 1.598066 ESP Fit Center 3854 is at -0.594345 5.012650 1.598066 ESP Fit Center 3855 is at 3.063658 3.514646 1.176671 ESP Fit Center 3856 is at 3.024624 3.923429 1.176671 ESP Fit Center 3857 is at 2.908933 4.317437 1.176671 ESP Fit Center 3858 is at 2.720766 4.682431 1.176671 ESP Fit Center 3859 is at 2.466924 5.005217 1.176671 ESP Fit Center 3860 is at 2.156581 5.274131 1.176671 ESP Fit Center 3861 is at 1.800955 5.479452 1.176671 ESP Fit Center 3862 is at 1.412898 5.613759 1.176671 ESP Fit Center 3863 is at 1.006435 5.672200 1.176671 ESP Fit Center 3864 is at 0.596258 5.652661 1.176671 ESP Fit Center 3865 is at 0.197192 5.555848 1.176671 ESP Fit Center 3866 is at -0.176342 5.385261 1.176671 ESP Fit Center 3867 is at -0.510841 5.147066 1.176671 ESP Fit Center 3868 is at 3.022155 3.514646 0.755276 ESP Fit Center 3869 is at 2.981448 3.927945 0.755276 ESP Fit Center 3870 is at 2.860894 4.325360 0.755276 ESP Fit Center 3871 is at 2.665124 4.691620 0.755276 ESP Fit Center 3872 is at 2.401661 5.012650 0.755276 ESP Fit Center 3873 is at 2.080632 5.276112 0.755276 ESP Fit Center 3874 is at 1.714372 5.471882 0.755276 ESP Fit Center 3875 is at 1.316956 5.592436 0.755276 ESP Fit Center 3876 is at 0.903658 5.633143 0.755276 ESP Fit Center 3877 is at 0.490360 5.592436 0.755276 ESP Fit Center 3878 is at 0.092945 5.471882 0.755276 ESP Fit Center 3879 is at -0.273315 5.276112 0.755276 ESP Fit Center 3880 is at -0.594345 5.012650 0.755276 ESP Fit Center 3881 is at 2.899238 3.514646 0.350075 ESP Fit Center 3882 is at 2.855630 3.929551 0.350075 ESP Fit Center 3883 is at 2.726711 4.326322 0.350075 ESP Fit Center 3884 is at 2.518116 4.687619 0.350075 ESP Fit Center 3885 is at 2.238962 4.997651 0.350075 ESP Fit Center 3886 is at 1.901448 5.242869 0.350075 ESP Fit Center 3887 is at 1.520326 5.412556 0.350075 ESP Fit Center 3888 is at 1.112253 5.499294 0.350075 ESP Fit Center 3889 is at 0.695063 5.499294 0.350075 ESP Fit Center 3890 is at 0.286990 5.412556 0.350075 ESP Fit Center 3891 is at -0.094132 5.242869 0.350075 ESP Fit Center 3892 is at -0.431645 4.997651 0.350075 ESP Fit Center 3893 is at 2.699633 3.514646 -0.023361 ESP Fit Center 3894 is at 2.651222 3.928827 -0.023361 ESP Fit Center 3895 is at 2.508600 4.320678 -0.023361 ESP Fit Center 3896 is at 2.279454 4.669077 -0.023361 ESP Fit Center 3897 is at 1.976140 4.955239 -0.023361 ESP Fit Center 3898 is at 1.615007 5.163739 -0.023361 ESP Fit Center 3899 is at 1.215526 5.283336 -0.023361 ESP Fit Center 3900 is at 0.799232 5.307582 -0.023361 ESP Fit Center 3901 is at 0.388567 5.235171 -0.023361 ESP Fit Center 3902 is at 0.005671 5.070006 -0.023361 ESP Fit Center 3903 is at 2.208656 4.308233 -0.350680 ESP Fit Center 3904 is at 1.946156 4.630889 -0.350680 ESP Fit Center 3905 is at 1.606339 4.870759 -0.350680 ESP Fit Center 3906 is at 1.214407 5.010051 -0.350680 ESP Fit Center 3907 is at 0.799428 5.038437 -0.350680 ESP Fit Center 3908 is at 0.392180 4.953809 -0.350680 ESP Fit Center 3909 is at 1.503674 4.553904 -0.619304 ESP Fit Center 3910 is at 1.112042 4.696447 -0.619304 ESP Fit Center 3911 is at 0.695275 4.696447 -0.619304 ESP Fit Center 3912 is at -0.262883 2.498415 4.195621 ESP Fit Center 3913 is at 0.158512 2.498415 4.154118 ESP Fit Center 3914 is at -0.052185 2.863354 4.154118 ESP Fit Center 3915 is at -0.473580 2.863354 4.154118 ESP Fit Center 3916 is at -0.684278 2.498415 4.154118 ESP Fit Center 3917 is at -0.473580 2.133476 4.154118 ESP Fit Center 3918 is at -0.052185 2.133476 4.154118 ESP Fit Center 3919 is at 0.563713 2.498415 4.031201 ESP Fit Center 3920 is at 0.452970 2.911713 4.031201 ESP Fit Center 3921 is at 0.150415 3.214268 4.031201 ESP Fit Center 3922 is at -0.262883 3.325011 4.031201 ESP Fit Center 3923 is at -0.676181 3.214268 4.031201 ESP Fit Center 3924 is at -0.978736 2.911713 4.031201 ESP Fit Center 3925 is at -1.089479 2.498415 4.031201 ESP Fit Center 3926 is at -0.978736 2.085117 4.031201 ESP Fit Center 3927 is at -0.676181 1.782562 4.031201 ESP Fit Center 3928 is at -0.262883 1.671819 4.031201 ESP Fit Center 3929 is at 0.150415 1.782562 4.031201 ESP Fit Center 3930 is at 0.452970 2.085117 4.031201 ESP Fit Center 3931 is at 0.337133 3.537673 3.831596 ESP Fit Center 3932 is at -0.054500 3.680216 3.831596 ESP Fit Center 3933 is at -0.471266 3.680216 3.831596 ESP Fit Center 3934 is at -0.862899 3.537673 3.831596 ESP Fit Center 3935 is at -1.182160 3.269781 3.831596 ESP Fit Center 3936 is at -1.390544 2.908850 3.831596 ESP Fit Center 3937 is at -1.462915 2.498415 3.831596 ESP Fit Center 3938 is at -1.390544 2.087980 3.831596 ESP Fit Center 3939 is at -1.182160 1.727050 3.831596 ESP Fit Center 3940 is at -0.862899 1.459157 3.831596 ESP Fit Center 3941 is at -0.471266 1.316615 3.831596 ESP Fit Center 3942 is at -0.054500 1.316615 3.831596 ESP Fit Center 3943 is at 0.337133 1.459157 3.831596 ESP Fit Center 3944 is at 0.047866 3.993820 3.562972 ESP Fit Center 3945 is at -0.367113 4.022205 3.562972 ESP Fit Center 3946 is at -0.774361 3.937578 3.562972 ESP Fit Center 3947 is at -1.143676 3.746215 3.562972 ESP Fit Center 3948 is at -1.447666 3.462308 3.562972 ESP Fit Center 3949 is at -1.663786 3.106913 3.562972 ESP Fit Center 3950 is at -1.776008 2.706389 3.562972 ESP Fit Center 3951 is at -1.776008 2.290441 3.562972 ESP Fit Center 3952 is at -1.663786 1.889917 3.562972 ESP Fit Center 3953 is at -1.447666 1.534523 3.562972 ESP Fit Center 3954 is at -1.143676 1.250616 3.562972 ESP Fit Center 3955 is at -0.774361 1.059252 3.562972 ESP Fit Center 3956 is at -0.367113 0.974625 3.562972 ESP Fit Center 3957 is at 0.047866 1.003010 3.562972 ESP Fit Center 3958 is at -0.367309 4.291351 3.235653 ESP Fit Center 3959 is at -0.777974 4.218940 3.235653 ESP Fit Center 3960 is at -1.160870 4.053775 3.235653 ESP Fit Center 3961 is at -1.495355 3.804760 3.235653 ESP Fit Center 3962 is at -1.763398 3.485319 3.235653 ESP Fit Center 3963 is at -1.950547 3.112675 3.235653 ESP Fit Center 3964 is at -2.046713 2.706915 3.235653 ESP Fit Center 3965 is at -2.046713 2.289915 3.235653 ESP Fit Center 3966 is at -1.950547 1.884156 3.235653 ESP Fit Center 3967 is at -1.763398 1.511511 3.235653 ESP Fit Center 3968 is at -1.495355 1.192071 3.235653 ESP Fit Center 3969 is at -1.160870 0.943056 3.235653 ESP Fit Center 3970 is at -0.777974 0.777891 3.235653 ESP Fit Center 3971 is at -0.367309 0.705479 3.235653 ESP Fit Center 3972 is at -0.471478 4.483063 2.862218 ESP Fit Center 3973 is at -0.879551 4.396324 2.862218 ESP Fit Center 3974 is at -1.260673 4.226638 2.862218 ESP Fit Center 3975 is at -1.598186 3.981420 2.862218 ESP Fit Center 3976 is at -1.877341 3.671388 2.862218 ESP Fit Center 3977 is at -2.085936 3.310091 2.862218 ESP Fit Center 3978 is at -2.214854 2.913320 2.862218 ESP Fit Center 3979 is at -2.258463 2.498415 2.862218 ESP Fit Center 3980 is at -2.214854 2.083511 2.862218 ESP Fit Center 3981 is at -2.085936 1.686740 2.862218 ESP Fit Center 3982 is at -1.877341 1.325443 2.862218 ESP Fit Center 3983 is at -1.598186 1.015410 2.862218 ESP Fit Center 3984 is at -1.260673 0.770192 2.862218 ESP Fit Center 3985 is at -0.879551 0.600506 2.862218 ESP Fit Center 3986 is at -0.471478 0.513767 2.862218 ESP Fit Center 3987 is at -1.073596 4.455650 2.457016 ESP Fit Center 3988 is at -1.439856 4.259880 2.457016 ESP Fit Center 3989 is at -1.760886 3.996418 2.457016 ESP Fit Center 3990 is at -2.024348 3.675389 2.457016 ESP Fit Center 3991 is at -2.220118 3.309129 2.457016 ESP Fit Center 3992 is at -2.340673 2.911713 2.457016 ESP Fit Center 3993 is at -2.381379 2.498415 2.457016 ESP Fit Center 3994 is at -2.340673 2.085117 2.457016 ESP Fit Center 3995 is at -1.342883 4.369030 2.035621 ESP Fit Center 3996 is at -1.677382 4.130834 2.035621 ESP Fit Center 3997 is at -1.960758 3.833639 2.035621 ESP Fit Center 3998 is at -2.182767 3.488184 2.035621 ESP Fit Center 3999 is at -1.760886 3.996418 1.614226 ESP Fit Center 4000 is at -2.024348 3.675389 1.614226 ESP Fit Center 4001 is at -4.750899 -0.254605 1.962327 ESP Fit Center 4002 is at -4.843580 0.516760 1.762722 ESP Fit Center 4003 is at -5.051963 0.155830 1.762722 ESP Fit Center 4004 is at -5.124334 -0.254605 1.762722 ESP Fit Center 4005 is at -5.051963 -0.665040 1.762722 ESP Fit Center 4006 is at -4.843580 -1.025971 1.762722 ESP Fit Center 4007 is at -4.805096 0.993194 1.494098 ESP Fit Center 4008 is at -5.109086 0.709288 1.494098 ESP Fit Center 4009 is at -5.325206 0.353893 1.494098 ESP Fit Center 4010 is at -5.437427 -0.046631 1.494098 ESP Fit Center 4011 is at -5.437427 -0.462579 1.494098 ESP Fit Center 4012 is at -5.325206 -0.863103 1.494098 ESP Fit Center 4013 is at -5.109086 -1.218498 1.494098 ESP Fit Center 4014 is at -5.156775 1.051739 1.166779 ESP Fit Center 4015 is at -5.424817 0.732299 1.166779 ESP Fit Center 4016 is at -5.611966 0.359654 1.166779 ESP Fit Center 4017 is at -5.708133 -0.046105 1.166779 ESP Fit Center 4018 is at -5.708133 -0.463105 1.166779 ESP Fit Center 4019 is at -5.611966 -0.868864 1.166779 ESP Fit Center 4020 is at -5.424817 -1.241509 1.166779 ESP Fit Center 4021 is at -5.156775 -1.560949 1.166779 ESP Fit Center 4022 is at -5.259606 1.228400 0.793343 ESP Fit Center 4023 is at -5.538760 0.918367 0.793343 ESP Fit Center 4024 is at -5.747355 0.557070 0.793343 ESP Fit Center 4025 is at -5.876274 0.160299 0.793343 ESP Fit Center 4026 is at -5.919882 -0.254605 0.793343 ESP Fit Center 4027 is at -5.876274 -0.669509 0.793343 ESP Fit Center 4028 is at -5.747355 -1.066280 0.793343 ESP Fit Center 4029 is at -5.538760 -1.427577 0.793343 ESP Fit Center 4030 is at -5.422306 1.243398 0.388142 ESP Fit Center 4031 is at -5.685768 0.922368 0.388142 ESP Fit Center 4032 is at -5.881538 0.556108 0.388142 ESP Fit Center 4033 is at -6.002092 0.158693 0.388142 ESP Fit Center 4034 is at -6.042799 -0.254605 0.388142 ESP Fit Center 4035 is at -6.002092 -0.667903 0.388142 ESP Fit Center 4036 is at -5.881538 -1.065318 0.388142 ESP Fit Center 4037 is at -5.685768 -1.431578 0.388142 ESP Fit Center 4038 is at -5.338802 1.377814 -0.033253 ESP Fit Center 4039 is at -5.622177 1.080618 -0.033253 ESP Fit Center 4040 is at -5.844187 0.735164 -0.033253 ESP Fit Center 4041 is at -5.996807 0.353937 -0.033253 ESP Fit Center 4042 is at -6.074522 -0.049284 -0.033253 ESP Fit Center 4043 is at -6.074522 -0.459926 -0.033253 ESP Fit Center 4044 is at -5.996807 -0.863147 -0.033253 ESP Fit Center 4045 is at -5.844187 -1.244374 -0.033253 ESP Fit Center 4046 is at -5.622177 -1.589828 -0.033253 ESP Fit Center 4047 is at -5.422306 1.243398 -0.454648 ESP Fit Center 4048 is at -5.685768 0.922368 -0.454648 ESP Fit Center 4049 is at -5.881538 0.556108 -0.454648 ESP Fit Center 4050 is at -6.002092 0.158693 -0.454648 ESP Fit Center 4051 is at -6.042799 -0.254605 -0.454648 ESP Fit Center 4052 is at -6.002092 -0.667903 -0.454648 ESP Fit Center 4053 is at -5.881538 -1.065318 -0.454648 ESP Fit Center 4054 is at -5.685768 -1.431578 -0.454648 ESP Fit Center 4055 is at -5.422306 -1.752608 -0.454648 ESP Fit Center 4056 is at -5.259606 1.228400 -0.859849 ESP Fit Center 4057 is at -5.538760 0.918367 -0.859849 ESP Fit Center 4058 is at -5.747355 0.557070 -0.859849 ESP Fit Center 4059 is at -5.876274 0.160299 -0.859849 ESP Fit Center 4060 is at -5.919882 -0.254605 -0.859849 ESP Fit Center 4061 is at -5.876274 -0.669509 -0.859849 ESP Fit Center 4062 is at -5.747355 -1.066280 -0.859849 ESP Fit Center 4063 is at -5.538760 -1.427577 -0.859849 ESP Fit Center 4064 is at -5.156775 1.051739 -1.233284 ESP Fit Center 4065 is at -5.424817 0.732299 -1.233284 ESP Fit Center 4066 is at -5.611966 0.359654 -1.233284 ESP Fit Center 4067 is at -5.708133 -0.046105 -1.233284 ESP Fit Center 4068 is at -5.708133 -0.463105 -1.233284 ESP Fit Center 4069 is at -5.611966 -0.868864 -1.233284 ESP Fit Center 4070 is at -5.424817 -1.241509 -1.233284 ESP Fit Center 4071 is at -5.156775 -1.560949 -1.233284 ESP Fit Center 4072 is at -4.805096 0.993194 -1.560603 ESP Fit Center 4073 is at -5.109086 0.709288 -1.560603 ESP Fit Center 4074 is at -5.325206 0.353893 -1.560603 ESP Fit Center 4075 is at -5.437427 -0.046631 -1.560603 ESP Fit Center 4076 is at -5.437427 -0.462579 -1.560603 ESP Fit Center 4077 is at -5.325206 -0.863103 -1.560603 ESP Fit Center 4078 is at -5.109086 -1.218498 -1.560603 ESP Fit Center 4079 is at -4.843580 0.516760 -1.829227 ESP Fit Center 4080 is at -5.051963 0.155830 -1.829227 ESP Fit Center 4081 is at -5.124334 -0.254605 -1.829227 ESP Fit Center 4082 is at -5.051963 -0.665040 -1.829227 ESP Fit Center 4083 is at -4.843580 -1.025971 -1.829227 ESP Fit Center 4084 is at -4.750899 -0.254605 -2.028833 ESP Fit Center 4085 is at 1.920080 -0.682169 3.583287 ESP Fit Center 4086 is at 2.335925 -0.682169 3.559067 ESP Fit Center 4087 is at 2.128002 -0.322037 3.559067 ESP Fit Center 4088 is at 1.712157 -0.322037 3.559067 ESP Fit Center 4089 is at 1.504235 -0.682169 3.559067 ESP Fit Center 4090 is at 1.712157 -1.042301 3.559067 ESP Fit Center 4091 is at 2.128002 -1.042301 3.559067 ESP Fit Center 4092 is at 2.746146 -0.682169 3.486734 ESP Fit Center 4093 is at 2.635474 -0.269136 3.486734 ESP Fit Center 4094 is at 2.333113 0.033225 3.486734 ESP Fit Center 4095 is at 1.920080 0.143897 3.486734 ESP Fit Center 4096 is at 1.507047 0.033225 3.486734 ESP Fit Center 4097 is at 1.204686 -0.269136 3.486734 ESP Fit Center 4098 is at 1.094014 -0.682169 3.486734 ESP Fit Center 4099 is at 1.204686 -1.095202 3.486734 ESP Fit Center 4100 is at 1.507047 -1.397563 3.486734 ESP Fit Center 4101 is at 1.920080 -1.508235 3.486734 ESP Fit Center 4102 is at 2.333113 -1.397563 3.486734 ESP Fit Center 4103 is at 2.635474 -1.095202 3.486734 ESP Fit Center 4104 is at 3.145196 -0.682169 3.367266 ESP Fit Center 4105 is at 3.071312 -0.263155 3.367266 ESP Fit Center 4106 is at 2.858573 0.105321 3.367266 ESP Fit Center 4107 is at 2.532638 0.378813 3.367266 ESP Fit Center 4108 is at 2.132819 0.524335 3.367266 ESP Fit Center 4109 is at 1.707341 0.524335 3.367266 ESP Fit Center 4110 is at 1.307522 0.378813 3.367266 ESP Fit Center 4111 is at 0.981586 0.105321 3.367266 ESP Fit Center 4112 is at 0.768847 -0.263155 3.367266 ESP Fit Center 4113 is at 0.694964 -0.682169 3.367266 ESP Fit Center 4114 is at 0.768847 -1.101183 3.367266 ESP Fit Center 4115 is at 0.981586 -1.469658 3.367266 ESP Fit Center 4116 is at 1.307522 -1.743151 3.367266 ESP Fit Center 4117 is at 1.707341 -1.888673 3.367266 ESP Fit Center 4118 is at 2.132819 -1.888673 3.367266 ESP Fit Center 4119 is at 2.532638 -1.743151 3.367266 ESP Fit Center 4120 is at 2.858573 -1.469658 3.367266 ESP Fit Center 4121 is at 3.071312 -1.101183 3.367266 ESP Fit Center 4122 is at 3.527678 -0.682169 3.202279 ESP Fit Center 4123 is at 3.472901 -0.266092 3.202279 ESP Fit Center 4124 is at 3.312301 0.121630 3.202279 ESP Fit Center 4125 is at 3.056824 0.454575 3.202279 ESP Fit Center 4126 is at 2.723879 0.710052 3.202279 ESP Fit Center 4127 is at 2.336157 0.870652 3.202279 ESP Fit Center 4128 is at 0.783336 0.454575 3.202279 ESP Fit Center 4129 is at 0.527858 0.121630 3.202279 ESP Fit Center 4130 is at 0.367259 -0.266092 3.202279 ESP Fit Center 4131 is at 0.312481 -0.682169 3.202279 ESP Fit Center 4132 is at 0.367259 -1.098246 3.202279 ESP Fit Center 4133 is at 0.527858 -1.485968 3.202279 ESP Fit Center 4134 is at 0.783336 -1.818913 3.202279 ESP Fit Center 4135 is at 1.116280 -2.074390 3.202279 ESP Fit Center 4136 is at 1.504003 -2.234990 3.202279 ESP Fit Center 4137 is at 1.920080 -2.289768 3.202279 ESP Fit Center 4138 is at 2.336157 -2.234990 3.202279 ESP Fit Center 4139 is at 2.723879 -2.074390 3.202279 ESP Fit Center 4140 is at 3.056824 -1.818913 3.202279 ESP Fit Center 4141 is at 3.312301 -1.485968 3.202279 ESP Fit Center 4142 is at 3.472901 -1.098246 3.202279 ESP Fit Center 4143 is at 3.888421 -0.682169 2.994004 ESP Fit Center 4144 is at 3.845408 -0.272928 2.994004 ESP Fit Center 4145 is at 3.718249 0.118428 2.994004 ESP Fit Center 4146 is at 3.512501 0.474793 2.994004 ESP Fit Center 4147 is at 3.237157 0.780594 2.994004 ESP Fit Center 4148 is at 2.904250 1.022465 2.994004 ESP Fit Center 4149 is at 0.121911 0.118428 2.994004 ESP Fit Center 4150 is at -0.005248 -0.272928 2.994004 ESP Fit Center 4151 is at -0.048261 -0.682169 2.994004 ESP Fit Center 4152 is at -0.005248 -1.091410 2.994004 ESP Fit Center 4153 is at 0.121911 -1.482765 2.994004 ESP Fit Center 4154 is at 0.327658 -1.839131 2.994004 ESP Fit Center 4155 is at 0.603002 -2.144931 2.994004 ESP Fit Center 4156 is at 0.935909 -2.386802 2.994004 ESP Fit Center 4157 is at 1.311829 -2.554173 2.994004 ESP Fit Center 4158 is at 1.714332 -2.639727 2.994004 ESP Fit Center 4159 is at 2.125827 -2.639727 2.994004 ESP Fit Center 4160 is at 2.528331 -2.554173 2.994004 ESP Fit Center 4161 is at 2.904250 -2.386802 2.994004 ESP Fit Center 4162 is at 3.237157 -2.144931 2.994004 ESP Fit Center 4163 is at 3.512501 -1.839131 2.994004 ESP Fit Center 4164 is at 3.718249 -1.482765 2.994004 ESP Fit Center 4165 is at 3.845408 -1.091410 2.994004 ESP Fit Center 4166 is at 4.222545 -0.682169 2.745258 ESP Fit Center 4167 is at 4.185543 -0.271048 2.745258 ESP Fit Center 4168 is at 4.075728 0.126859 2.745258 ESP Fit Center 4169 is at 3.896628 0.498764 2.745258 ESP Fit Center 4170 is at 3.654001 0.832712 2.745258 ESP Fit Center 4171 is at 3.355643 1.117971 2.745258 ESP Fit Center 4172 is at -0.154370 0.316833 2.745258 ESP Fit Center 4173 is at -0.299411 -0.069628 2.745258 ESP Fit Center 4174 is at -0.373116 -0.475778 2.745258 ESP Fit Center 4175 is at -0.373116 -0.888560 2.745258 ESP Fit Center 4176 is at -0.299411 -1.294709 2.745258 ESP Fit Center 4177 is at -0.154370 -1.681171 2.745258 ESP Fit Center 4178 is at 0.057346 -2.035524 2.745258 ESP Fit Center 4179 is at 0.328932 -2.346379 2.745258 ESP Fit Center 4180 is at 0.651659 -2.603745 2.745258 ESP Fit Center 4181 is at 1.015153 -2.799350 2.745258 ESP Fit Center 4182 is at 1.407733 -2.926907 2.745258 ESP Fit Center 4183 is at 1.816780 -2.982316 2.745258 ESP Fit Center 4184 is at 2.229147 -2.963796 2.745258 ESP Fit Center 4185 is at 2.631581 -2.871943 2.745258 ESP Fit Center 4186 is at 3.011146 -2.709709 2.745258 ESP Fit Center 4187 is at 3.355643 -2.482309 2.745258 ESP Fit Center 4188 is at 3.654001 -2.197050 2.745258 ESP Fit Center 4189 is at 3.896628 -1.863102 2.745258 ESP Fit Center 4190 is at 4.075728 -1.491197 2.745258 ESP Fit Center 4191 is at 4.185543 -1.093290 2.745258 ESP Fit Center 4192 is at 4.525532 -0.682169 2.459404 ESP Fit Center 4193 is at 4.493455 -0.274586 2.459404 ESP Fit Center 4194 is at 4.398012 0.122960 2.459404 ESP Fit Center 4195 is at 4.241555 0.500682 2.459404 ESP Fit Center 4196 is at 4.027935 0.849278 2.459404 ESP Fit Center 4197 is at 3.762413 1.160164 2.459404 ESP Fit Center 4198 is at 3.451526 1.425686 2.459404 ESP Fit Center 4199 is at 0.077747 -2.524502 2.459404 ESP Fit Center 4200 is at 0.388633 -2.790024 2.459404 ESP Fit Center 4201 is at 0.737229 -3.003644 2.459404 ESP Fit Center 4202 is at 1.114951 -3.160101 2.459404 ESP Fit Center 4203 is at 1.512497 -3.255544 2.459404 ESP Fit Center 4204 is at 1.920080 -3.287621 2.459404 ESP Fit Center 4205 is at 2.327662 -3.255544 2.459404 ESP Fit Center 4206 is at 2.725209 -3.160101 2.459404 ESP Fit Center 4207 is at 3.102930 -3.003644 2.459404 ESP Fit Center 4208 is at 3.451526 -2.790024 2.459404 ESP Fit Center 4209 is at 3.762413 -2.524502 2.459404 ESP Fit Center 4210 is at 4.027935 -2.213615 2.459404 ESP Fit Center 4211 is at 4.241555 -1.865020 2.459404 ESP Fit Center 4212 is at 4.398012 -1.487298 2.459404 ESP Fit Center 4213 is at 4.493455 -1.089751 2.459404 ESP Fit Center 4214 is at 4.793285 -0.682169 2.140309 ESP Fit Center 4215 is at 4.764040 -0.273269 2.140309 ESP Fit Center 4216 is at 4.676900 0.127307 2.140309 ESP Fit Center 4217 is at 4.533639 0.511404 2.140309 ESP Fit Center 4218 is at 4.337174 0.871203 2.140309 ESP Fit Center 4219 is at 4.091503 1.199380 2.140309 ESP Fit Center 4220 is at 3.801629 1.489255 2.140309 ESP Fit Center 4221 is at 3.473452 1.734925 2.140309 ESP Fit Center 4222 is at 0.366708 -3.099263 2.140309 ESP Fit Center 4223 is at 0.726507 -3.295728 2.140309 ESP Fit Center 4224 is at 1.110604 -3.438989 2.140309 ESP Fit Center 4225 is at 1.511180 -3.526129 2.140309 ESP Fit Center 4226 is at 1.920080 -3.555374 2.140309 ESP Fit Center 4227 is at 2.328979 -3.526129 2.140309 ESP Fit Center 4228 is at 2.729555 -3.438989 2.140309 ESP Fit Center 4229 is at 3.113652 -3.295728 2.140309 ESP Fit Center 4230 is at 3.473452 -3.099263 2.140309 ESP Fit Center 4231 is at 3.801629 -2.853593 2.140309 ESP Fit Center 4232 is at 4.091503 -2.563718 2.140309 ESP Fit Center 4233 is at 4.337174 -2.235541 2.140309 ESP Fit Center 4234 is at 4.533639 -1.875742 2.140309 ESP Fit Center 4235 is at 4.676900 -1.491644 2.140309 ESP Fit Center 4236 is at 4.764040 -1.091069 2.140309 ESP Fit Center 4237 is at 5.022183 -0.682169 1.792287 ESP Fit Center 4238 is at 4.994504 -0.268699 1.792287 ESP Fit Center 4239 is at 4.911962 0.137392 1.792287 ESP Fit Center 4240 is at 4.776030 0.528859 1.792287 ESP Fit Center 4241 is at 4.589134 0.898714 1.792287 ESP Fit Center 4242 is at 4.354608 1.240359 1.792287 ESP Fit Center 4243 is at 4.076638 1.547696 1.792287 ESP Fit Center 4244 is at 3.760184 1.815241 1.792287 ESP Fit Center 4245 is at 0.614297 -3.496058 1.792287 ESP Fit Center 4246 is at 1.001002 -3.644995 1.792287 ESP Fit Center 4247 is at 1.404109 -3.741060 1.792287 ESP Fit Center 4248 is at 1.816423 -3.782540 1.792287 ESP Fit Center 4249 is at 2.230587 -3.768693 1.792287 ESP Fit Center 4250 is at 2.639210 -3.699766 1.792287 ESP Fit Center 4251 is at 3.035000 -3.576991 1.792287 ESP Fit Center 4252 is at 3.410894 -3.402558 1.792287 ESP Fit Center 4253 is at 3.760184 -3.179579 1.792287 ESP Fit Center 4254 is at 4.076638 -2.912034 1.792287 ESP Fit Center 4255 is at 4.354608 -2.604697 1.792287 ESP Fit Center 4256 is at 4.589134 -2.263052 1.792287 ESP Fit Center 4257 is at 4.776030 -1.893197 1.792287 ESP Fit Center 4258 is at 4.911962 -1.501730 1.792287 ESP Fit Center 4259 is at 4.994504 -1.095639 1.792287 ESP Fit Center 4260 is at 5.209130 -0.682169 1.420045 ESP Fit Center 4261 is at 5.183195 -0.269942 1.420045 ESP Fit Center 4262 is at 5.105798 0.135785 1.420045 ESP Fit Center 4263 is at 4.978161 0.528611 1.420045 ESP Fit Center 4264 is at 4.802296 0.902343 1.420045 ESP Fit Center 4265 is at 4.580977 1.251086 1.420045 ESP Fit Center 4266 is at 4.317694 1.569341 1.420045 ESP Fit Center 4267 is at 4.016599 1.852088 1.420045 ESP Fit Center 4268 is at 3.682441 2.094868 1.420045 ESP Fit Center 4269 is at 0.903707 -3.810241 1.420045 ESP Fit Center 4270 is at 1.303773 -3.912961 1.420045 ESP Fit Center 4271 is at 1.713559 -3.964729 1.420045 ESP Fit Center 4272 is at 2.126601 -3.964729 1.420045 ESP Fit Center 4273 is at 2.536386 -3.912961 1.420045 ESP Fit Center 4274 is at 2.936452 -3.810241 1.420045 ESP Fit Center 4275 is at 3.320489 -3.658190 1.420045 ESP Fit Center 4276 is at 3.682441 -3.459206 1.420045 ESP Fit Center 4277 is at 4.016599 -3.216426 1.420045 ESP Fit Center 4278 is at 4.317694 -2.933679 1.420045 ESP Fit Center 4279 is at 4.580977 -2.615424 1.420045 ESP Fit Center 4280 is at 4.802296 -2.266681 1.420045 ESP Fit Center 4281 is at 4.978161 -1.892949 1.420045 ESP Fit Center 4282 is at 5.105798 -1.500122 1.420045 ESP Fit Center 4283 is at 5.183195 -1.094396 1.420045 ESP Fit Center 4284 is at 5.351598 -0.682169 1.028616 ESP Fit Center 4285 is at 5.326579 -0.268545 1.028616 ESP Fit Center 4286 is at 5.251884 0.139047 1.028616 ESP Fit Center 4287 is at 5.128605 0.534664 1.028616 ESP Fit Center 4288 is at 4.958538 0.912537 1.028616 ESP Fit Center 4289 is at 4.744164 1.267156 1.028616 ESP Fit Center 4290 is at 4.488608 1.593349 1.028616 ESP Fit Center 4291 is at 4.195597 1.886360 1.028616 ESP Fit Center 4292 is at 3.869404 2.141915 1.028616 ESP Fit Center 4293 is at 3.514786 2.356290 1.028616 ESP Fit Center 4294 is at 1.098864 -4.013974 1.028616 ESP Fit Center 4295 is at 1.506456 -4.088668 1.028616 ESP Fit Center 4296 is at 1.920080 -4.113687 1.028616 ESP Fit Center 4297 is at 2.333704 -4.088668 1.028616 ESP Fit Center 4298 is at 2.741296 -4.013974 1.028616 ESP Fit Center 4299 is at 3.136913 -3.890694 1.028616 ESP Fit Center 4300 is at 3.514786 -3.720628 1.028616 ESP Fit Center 4301 is at 3.869404 -3.506253 1.028616 ESP Fit Center 4302 is at 4.195597 -3.250697 1.028616 ESP Fit Center 4303 is at 4.488608 -2.957687 1.028616 ESP Fit Center 4304 is at 4.744164 -2.631494 1.028616 ESP Fit Center 4305 is at 4.958538 -2.276875 1.028616 ESP Fit Center 4306 is at 5.128605 -1.899002 1.028616 ESP Fit Center 4307 is at 5.251884 -1.503385 1.028616 ESP Fit Center 4308 is at 5.326579 -1.095793 1.028616 ESP Fit Center 4309 is at 5.447661 -0.682169 0.623295 ESP Fit Center 4310 is at 5.423809 -0.272642 0.623295 ESP Fit Center 4311 is at 5.352575 0.131347 0.623295 ESP Fit Center 4312 is at 5.234922 0.524335 0.623295 ESP Fit Center 4313 is at 5.072442 0.901007 0.623295 ESP Fit Center 4314 is at 4.867331 1.256269 0.623295 ESP Fit Center 4315 is at 4.622364 1.585317 0.623295 ESP Fit Center 4316 is at 4.340853 1.883701 0.623295 ESP Fit Center 4317 is at 4.026605 2.147386 0.623295 ESP Fit Center 4318 is at 3.683870 2.372806 0.623295 ESP Fit Center 4319 is at 3.317283 2.556913 0.623295 ESP Fit Center 4320 is at 1.307522 -4.156158 0.623295 ESP Fit Center 4321 is at 1.714969 -4.203782 0.623295 ESP Fit Center 4322 is at 2.125190 -4.203782 0.623295 ESP Fit Center 4323 is at 2.532638 -4.156158 0.623295 ESP Fit Center 4324 is at 2.931801 -4.061555 0.623295 ESP Fit Center 4325 is at 3.317283 -3.921251 0.623295 ESP Fit Center 4326 is at 3.683870 -3.737144 0.623295 ESP Fit Center 4327 is at 4.026605 -3.511724 0.623295 ESP Fit Center 4328 is at 4.340853 -3.248039 0.623295 ESP Fit Center 4329 is at 4.622364 -2.949655 0.623295 ESP Fit Center 4330 is at 4.867331 -2.620607 0.623295 ESP Fit Center 4331 is at 5.072442 -2.265345 0.623295 ESP Fit Center 4332 is at 5.234922 -1.888673 0.623295 ESP Fit Center 4333 is at 5.352575 -1.495685 0.623295 ESP Fit Center 4334 is at 5.423809 -1.091696 0.623295 ESP Fit Center 4335 is at 5.496020 -0.682169 0.209562 ESP Fit Center 4336 is at 5.471840 -0.267028 0.209562 ESP Fit Center 4337 is at 5.399630 0.142500 0.209562 ESP Fit Center 4338 is at 5.280364 0.540875 0.209562 ESP Fit Center 4339 is at 5.115656 0.922710 0.209562 ESP Fit Center 4340 is at 4.907734 1.282842 0.209562 ESP Fit Center 4341 is at 4.659409 1.616401 0.209562 ESP Fit Center 4342 is at 4.374039 1.918875 0.209562 ESP Fit Center 4343 is at 4.055483 2.186175 0.209562 ESP Fit Center 4344 is at 3.708050 2.414686 0.209562 ESP Fit Center 4345 is at 3.336437 2.601317 0.209562 ESP Fit Center 4346 is at 1.299124 -4.203782 0.209562 ESP Fit Center 4347 is at 1.712157 -4.252059 0.209562 ESP Fit Center 4348 is at 2.128002 -4.252059 0.209562 ESP Fit Center 4349 is at 2.541035 -4.203782 0.209562 ESP Fit Center 4350 is at 2.945671 -4.107882 0.209562 ESP Fit Center 4351 is at 3.336437 -3.965654 0.209562 ESP Fit Center 4352 is at 3.708050 -3.779024 0.209562 ESP Fit Center 4353 is at 4.055483 -3.550513 0.209562 ESP Fit Center 4354 is at 4.374039 -3.283213 0.209562 ESP Fit Center 4355 is at 4.659409 -2.980739 0.209562 ESP Fit Center 4356 is at 4.907734 -2.647180 0.209562 ESP Fit Center 4357 is at 5.115656 -2.287048 0.209562 ESP Fit Center 4358 is at 5.280364 -1.905212 0.209562 ESP Fit Center 4359 is at 5.399630 -1.506837 0.209562 ESP Fit Center 4360 is at 5.471840 -1.097310 0.209562 ESP Fit Center 4361 is at 5.496020 -0.682169 -0.206988 ESP Fit Center 4362 is at 5.471840 -0.267028 -0.206988 ESP Fit Center 4363 is at 5.399630 0.142500 -0.206988 ESP Fit Center 4364 is at 5.280364 0.540875 -0.206988 ESP Fit Center 4365 is at 5.115656 0.922710 -0.206988 ESP Fit Center 4366 is at 4.907734 1.282842 -0.206988 ESP Fit Center 4367 is at 4.659409 1.616401 -0.206988 ESP Fit Center 4368 is at 4.374039 1.918875 -0.206988 ESP Fit Center 4369 is at 4.055483 2.186175 -0.206988 ESP Fit Center 4370 is at 3.708050 2.414686 -0.206988 ESP Fit Center 4371 is at 3.336437 2.601317 -0.206988 ESP Fit Center 4372 is at 1.299124 -4.203782 -0.206988 ESP Fit Center 4373 is at 1.712157 -4.252059 -0.206988 ESP Fit Center 4374 is at 2.128002 -4.252059 -0.206988 ESP Fit Center 4375 is at 2.541035 -4.203782 -0.206988 ESP Fit Center 4376 is at 2.945671 -4.107882 -0.206988 ESP Fit Center 4377 is at 3.336437 -3.965654 -0.206988 ESP Fit Center 4378 is at 3.708050 -3.779024 -0.206988 ESP Fit Center 4379 is at 4.055483 -3.550513 -0.206988 ESP Fit Center 4380 is at 4.374039 -3.283213 -0.206988 ESP Fit Center 4381 is at 4.659409 -2.980739 -0.206988 ESP Fit Center 4382 is at 4.907734 -2.647180 -0.206988 ESP Fit Center 4383 is at 5.115656 -2.287048 -0.206988 ESP Fit Center 4384 is at 5.280364 -1.905212 -0.206988 ESP Fit Center 4385 is at 5.399630 -1.506837 -0.206988 ESP Fit Center 4386 is at 5.471840 -1.097310 -0.206988 ESP Fit Center 4387 is at 5.447661 -0.682169 -0.620721 ESP Fit Center 4388 is at 5.423809 -0.272642 -0.620721 ESP Fit Center 4389 is at 5.352575 0.131347 -0.620721 ESP Fit Center 4390 is at 5.234922 0.524335 -0.620721 ESP Fit Center 4391 is at 5.072442 0.901007 -0.620721 ESP Fit Center 4392 is at 4.867331 1.256269 -0.620721 ESP Fit Center 4393 is at 4.622364 1.585317 -0.620721 ESP Fit Center 4394 is at 4.340853 1.883701 -0.620721 ESP Fit Center 4395 is at 4.026605 2.147386 -0.620721 ESP Fit Center 4396 is at 3.683870 2.372806 -0.620721 ESP Fit Center 4397 is at 3.317283 2.556913 -0.620721 ESP Fit Center 4398 is at 1.307522 -4.156158 -0.620721 ESP Fit Center 4399 is at 1.714969 -4.203782 -0.620721 ESP Fit Center 4400 is at 2.125190 -4.203782 -0.620721 ESP Fit Center 4401 is at 2.532638 -4.156158 -0.620721 ESP Fit Center 4402 is at 2.931801 -4.061555 -0.620721 ESP Fit Center 4403 is at 3.317283 -3.921251 -0.620721 ESP Fit Center 4404 is at 3.683870 -3.737144 -0.620721 ESP Fit Center 4405 is at 4.026605 -3.511724 -0.620721 ESP Fit Center 4406 is at 4.340853 -3.248039 -0.620721 ESP Fit Center 4407 is at 4.622364 -2.949655 -0.620721 ESP Fit Center 4408 is at 4.867331 -2.620607 -0.620721 ESP Fit Center 4409 is at 5.072442 -2.265345 -0.620721 ESP Fit Center 4410 is at 5.234922 -1.888673 -0.620721 ESP Fit Center 4411 is at 5.352575 -1.495685 -0.620721 ESP Fit Center 4412 is at 5.423809 -1.091696 -0.620721 ESP Fit Center 4413 is at 5.351598 -0.682169 -1.026042 ESP Fit Center 4414 is at 5.326579 -0.268545 -1.026042 ESP Fit Center 4415 is at 5.251884 0.139047 -1.026042 ESP Fit Center 4416 is at 5.128605 0.534664 -1.026042 ESP Fit Center 4417 is at 4.958538 0.912537 -1.026042 ESP Fit Center 4418 is at 4.744164 1.267156 -1.026042 ESP Fit Center 4419 is at 4.488608 1.593349 -1.026042 ESP Fit Center 4420 is at 4.195597 1.886360 -1.026042 ESP Fit Center 4421 is at 3.869404 2.141915 -1.026042 ESP Fit Center 4422 is at 3.514786 2.356290 -1.026042 ESP Fit Center 4423 is at 1.098864 -4.013974 -1.026042 ESP Fit Center 4424 is at 1.506456 -4.088668 -1.026042 ESP Fit Center 4425 is at 1.920080 -4.113687 -1.026042 ESP Fit Center 4426 is at 2.333704 -4.088668 -1.026042 ESP Fit Center 4427 is at 2.741296 -4.013974 -1.026042 ESP Fit Center 4428 is at 3.136913 -3.890694 -1.026042 ESP Fit Center 4429 is at 3.514786 -3.720628 -1.026042 ESP Fit Center 4430 is at 3.869404 -3.506253 -1.026042 ESP Fit Center 4431 is at 4.195597 -3.250697 -1.026042 ESP Fit Center 4432 is at 4.488608 -2.957687 -1.026042 ESP Fit Center 4433 is at 4.744164 -2.631494 -1.026042 ESP Fit Center 4434 is at 4.958538 -2.276875 -1.026042 ESP Fit Center 4435 is at 5.128605 -1.899002 -1.026042 ESP Fit Center 4436 is at 5.251884 -1.503385 -1.026042 ESP Fit Center 4437 is at 5.326579 -1.095793 -1.026042 ESP Fit Center 4438 is at 5.209130 -0.682169 -1.417471 ESP Fit Center 4439 is at 5.183195 -0.269942 -1.417471 ESP Fit Center 4440 is at 5.105798 0.135785 -1.417471 ESP Fit Center 4441 is at 4.978161 0.528611 -1.417471 ESP Fit Center 4442 is at 4.802296 0.902343 -1.417471 ESP Fit Center 4443 is at 4.580977 1.251086 -1.417471 ESP Fit Center 4444 is at 4.317694 1.569341 -1.417471 ESP Fit Center 4445 is at 4.016599 1.852088 -1.417471 ESP Fit Center 4446 is at 3.682441 2.094868 -1.417471 ESP Fit Center 4447 is at 0.903707 -3.810241 -1.417471 ESP Fit Center 4448 is at 1.303773 -3.912961 -1.417471 ESP Fit Center 4449 is at 1.713559 -3.964729 -1.417471 ESP Fit Center 4450 is at 2.126601 -3.964729 -1.417471 ESP Fit Center 4451 is at 2.536386 -3.912961 -1.417471 ESP Fit Center 4452 is at 2.936452 -3.810241 -1.417471 ESP Fit Center 4453 is at 3.320489 -3.658190 -1.417471 ESP Fit Center 4454 is at 3.682441 -3.459206 -1.417471 ESP Fit Center 4455 is at 4.016599 -3.216426 -1.417471 ESP Fit Center 4456 is at 4.317694 -2.933679 -1.417471 ESP Fit Center 4457 is at 4.580977 -2.615424 -1.417471 ESP Fit Center 4458 is at 4.802296 -2.266681 -1.417471 ESP Fit Center 4459 is at 4.978161 -1.892949 -1.417471 ESP Fit Center 4460 is at 5.105798 -1.500122 -1.417471 ESP Fit Center 4461 is at 5.183195 -1.094396 -1.417471 ESP Fit Center 4462 is at 5.022183 -0.682169 -1.789713 ESP Fit Center 4463 is at 4.994504 -0.268699 -1.789713 ESP Fit Center 4464 is at 4.911962 0.137392 -1.789713 ESP Fit Center 4465 is at 4.776030 0.528859 -1.789713 ESP Fit Center 4466 is at 4.589134 0.898714 -1.789713 ESP Fit Center 4467 is at 4.354608 1.240359 -1.789713 ESP Fit Center 4468 is at 4.076638 1.547696 -1.789713 ESP Fit Center 4469 is at 3.760184 1.815241 -1.789713 ESP Fit Center 4470 is at 3.410894 2.038220 -1.789713 ESP Fit Center 4471 is at 0.614297 -3.496058 -1.789713 ESP Fit Center 4472 is at 1.001002 -3.644995 -1.789713 ESP Fit Center 4473 is at 1.404109 -3.741060 -1.789713 ESP Fit Center 4474 is at 1.816423 -3.782540 -1.789713 ESP Fit Center 4475 is at 2.230587 -3.768693 -1.789713 ESP Fit Center 4476 is at 2.639210 -3.699766 -1.789713 ESP Fit Center 4477 is at 3.035000 -3.576991 -1.789713 ESP Fit Center 4478 is at 3.410894 -3.402558 -1.789713 ESP Fit Center 4479 is at 3.760184 -3.179579 -1.789713 ESP Fit Center 4480 is at 4.076638 -2.912034 -1.789713 ESP Fit Center 4481 is at 4.354608 -2.604697 -1.789713 ESP Fit Center 4482 is at 4.589134 -2.263052 -1.789713 ESP Fit Center 4483 is at 4.776030 -1.893197 -1.789713 ESP Fit Center 4484 is at 4.911962 -1.501730 -1.789713 ESP Fit Center 4485 is at 4.994504 -1.095639 -1.789713 ESP Fit Center 4486 is at 4.793285 -0.682169 -2.137735 ESP Fit Center 4487 is at 4.764040 -0.273269 -2.137735 ESP Fit Center 4488 is at 4.676900 0.127307 -2.137735 ESP Fit Center 4489 is at 4.533639 0.511404 -2.137735 ESP Fit Center 4490 is at 4.337174 0.871203 -2.137735 ESP Fit Center 4491 is at 4.091503 1.199380 -2.137735 ESP Fit Center 4492 is at 3.801629 1.489255 -2.137735 ESP Fit Center 4493 is at 3.473452 1.734925 -2.137735 ESP Fit Center 4494 is at 0.366708 -3.099263 -2.137735 ESP Fit Center 4495 is at 0.726507 -3.295728 -2.137735 ESP Fit Center 4496 is at 1.110604 -3.438989 -2.137735 ESP Fit Center 4497 is at 1.511180 -3.526129 -2.137735 ESP Fit Center 4498 is at 1.920080 -3.555374 -2.137735 ESP Fit Center 4499 is at 2.328979 -3.526129 -2.137735 ESP Fit Center 4500 is at 2.729555 -3.438989 -2.137735 ESP Fit Center 4501 is at 3.113652 -3.295728 -2.137735 ESP Fit Center 4502 is at 3.473452 -3.099263 -2.137735 ESP Fit Center 4503 is at 3.801629 -2.853593 -2.137735 ESP Fit Center 4504 is at 4.091503 -2.563718 -2.137735 ESP Fit Center 4505 is at 4.337174 -2.235541 -2.137735 ESP Fit Center 4506 is at 4.533639 -1.875742 -2.137735 ESP Fit Center 4507 is at 4.676900 -1.491644 -2.137735 ESP Fit Center 4508 is at 4.764040 -1.091069 -2.137735 ESP Fit Center 4509 is at 4.525532 -0.682169 -2.456831 ESP Fit Center 4510 is at 4.493455 -0.274586 -2.456831 ESP Fit Center 4511 is at 4.398012 0.122960 -2.456831 ESP Fit Center 4512 is at 4.241555 0.500682 -2.456831 ESP Fit Center 4513 is at 4.027935 0.849278 -2.456831 ESP Fit Center 4514 is at 3.762413 1.160164 -2.456831 ESP Fit Center 4515 is at 3.451526 1.425686 -2.456831 ESP Fit Center 4516 is at 3.102930 1.639306 -2.456831 ESP Fit Center 4517 is at 0.077747 -2.524502 -2.456831 ESP Fit Center 4518 is at 0.388633 -2.790024 -2.456831 ESP Fit Center 4519 is at 0.737229 -3.003644 -2.456831 ESP Fit Center 4520 is at 1.114951 -3.160101 -2.456831 ESP Fit Center 4521 is at 1.512497 -3.255544 -2.456831 ESP Fit Center 4522 is at 1.920080 -3.287621 -2.456831 ESP Fit Center 4523 is at 2.327662 -3.255544 -2.456831 ESP Fit Center 4524 is at 2.725209 -3.160101 -2.456831 ESP Fit Center 4525 is at 3.102930 -3.003644 -2.456831 ESP Fit Center 4526 is at 3.451526 -2.790024 -2.456831 ESP Fit Center 4527 is at 3.762413 -2.524502 -2.456831 ESP Fit Center 4528 is at 4.027935 -2.213615 -2.456831 ESP Fit Center 4529 is at 4.241555 -1.865020 -2.456831 ESP Fit Center 4530 is at 4.398012 -1.487298 -2.456831 ESP Fit Center 4531 is at 4.493455 -1.089751 -2.456831 ESP Fit Center 4532 is at 4.222545 -0.682169 -2.742684 ESP Fit Center 4533 is at 4.185543 -0.271048 -2.742684 ESP Fit Center 4534 is at 4.075728 0.126859 -2.742684 ESP Fit Center 4535 is at 3.896628 0.498764 -2.742684 ESP Fit Center 4536 is at 3.654001 0.832712 -2.742684 ESP Fit Center 4537 is at 3.355643 1.117971 -2.742684 ESP Fit Center 4538 is at 3.011146 1.345372 -2.742684 ESP Fit Center 4539 is at -0.154370 0.316833 -2.742684 ESP Fit Center 4540 is at -0.299411 -0.069628 -2.742684 ESP Fit Center 4541 is at -0.373116 -0.475778 -2.742684 ESP Fit Center 4542 is at -0.373116 -0.888560 -2.742684 ESP Fit Center 4543 is at -0.299411 -1.294709 -2.742684 ESP Fit Center 4544 is at -0.154370 -1.681171 -2.742684 ESP Fit Center 4545 is at 0.057346 -2.035524 -2.742684 ESP Fit Center 4546 is at 0.328932 -2.346379 -2.742684 ESP Fit Center 4547 is at 0.651659 -2.603745 -2.742684 ESP Fit Center 4548 is at 1.015153 -2.799350 -2.742684 ESP Fit Center 4549 is at 1.407733 -2.926907 -2.742684 ESP Fit Center 4550 is at 1.816780 -2.982316 -2.742684 ESP Fit Center 4551 is at 2.229147 -2.963796 -2.742684 ESP Fit Center 4552 is at 2.631581 -2.871943 -2.742684 ESP Fit Center 4553 is at 3.011146 -2.709709 -2.742684 ESP Fit Center 4554 is at 3.355643 -2.482309 -2.742684 ESP Fit Center 4555 is at 3.654001 -2.197050 -2.742684 ESP Fit Center 4556 is at 3.896628 -1.863102 -2.742684 ESP Fit Center 4557 is at 4.075728 -1.491197 -2.742684 ESP Fit Center 4558 is at 4.185543 -1.093290 -2.742684 ESP Fit Center 4559 is at 3.888421 -0.682169 -2.991431 ESP Fit Center 4560 is at 3.845408 -0.272928 -2.991431 ESP Fit Center 4561 is at 3.718249 0.118428 -2.991431 ESP Fit Center 4562 is at 3.512501 0.474793 -2.991431 ESP Fit Center 4563 is at 3.237157 0.780594 -2.991431 ESP Fit Center 4564 is at 2.904250 1.022465 -2.991431 ESP Fit Center 4565 is at 2.528331 1.189835 -2.991431 ESP Fit Center 4566 is at 0.121911 0.118428 -2.991431 ESP Fit Center 4567 is at -0.005248 -0.272928 -2.991431 ESP Fit Center 4568 is at -0.048261 -0.682169 -2.991431 ESP Fit Center 4569 is at -0.005248 -1.091410 -2.991431 ESP Fit Center 4570 is at 0.121911 -1.482765 -2.991431 ESP Fit Center 4571 is at 0.327658 -1.839131 -2.991431 ESP Fit Center 4572 is at 0.603002 -2.144931 -2.991431 ESP Fit Center 4573 is at 0.935909 -2.386802 -2.991431 ESP Fit Center 4574 is at 1.311829 -2.554173 -2.991431 ESP Fit Center 4575 is at 1.714332 -2.639727 -2.991431 ESP Fit Center 4576 is at 2.125827 -2.639727 -2.991431 ESP Fit Center 4577 is at 2.528331 -2.554173 -2.991431 ESP Fit Center 4578 is at 2.904250 -2.386802 -2.991431 ESP Fit Center 4579 is at 3.237157 -2.144931 -2.991431 ESP Fit Center 4580 is at 3.512501 -1.839131 -2.991431 ESP Fit Center 4581 is at 3.718249 -1.482765 -2.991431 ESP Fit Center 4582 is at 3.845408 -1.091410 -2.991431 ESP Fit Center 4583 is at 3.527678 -0.682169 -3.199705 ESP Fit Center 4584 is at 3.472901 -0.266092 -3.199705 ESP Fit Center 4585 is at 3.312301 0.121630 -3.199705 ESP Fit Center 4586 is at 3.056824 0.454575 -3.199705 ESP Fit Center 4587 is at 2.723879 0.710052 -3.199705 ESP Fit Center 4588 is at 2.336157 0.870652 -3.199705 ESP Fit Center 4589 is at 1.920080 0.925430 -3.199705 ESP Fit Center 4590 is at 0.783336 0.454575 -3.199705 ESP Fit Center 4591 is at 0.527858 0.121630 -3.199705 ESP Fit Center 4592 is at 0.367259 -0.266092 -3.199705 ESP Fit Center 4593 is at 0.312481 -0.682169 -3.199705 ESP Fit Center 4594 is at 0.367259 -1.098246 -3.199705 ESP Fit Center 4595 is at 0.527858 -1.485968 -3.199705 ESP Fit Center 4596 is at 0.783336 -1.818913 -3.199705 ESP Fit Center 4597 is at 1.116280 -2.074390 -3.199705 ESP Fit Center 4598 is at 1.504003 -2.234990 -3.199705 ESP Fit Center 4599 is at 1.920080 -2.289768 -3.199705 ESP Fit Center 4600 is at 2.336157 -2.234990 -3.199705 ESP Fit Center 4601 is at 2.723879 -2.074390 -3.199705 ESP Fit Center 4602 is at 3.056824 -1.818913 -3.199705 ESP Fit Center 4603 is at 3.312301 -1.485968 -3.199705 ESP Fit Center 4604 is at 3.472901 -1.098246 -3.199705 ESP Fit Center 4605 is at 3.145196 -0.682169 -3.364692 ESP Fit Center 4606 is at 3.071312 -0.263155 -3.364692 ESP Fit Center 4607 is at 2.858573 0.105321 -3.364692 ESP Fit Center 4608 is at 2.532638 0.378813 -3.364692 ESP Fit Center 4609 is at 2.132819 0.524335 -3.364692 ESP Fit Center 4610 is at 1.707341 0.524335 -3.364692 ESP Fit Center 4611 is at 1.307522 0.378813 -3.364692 ESP Fit Center 4612 is at 0.981586 0.105321 -3.364692 ESP Fit Center 4613 is at 0.768847 -0.263155 -3.364692 ESP Fit Center 4614 is at 0.694964 -0.682169 -3.364692 ESP Fit Center 4615 is at 0.768847 -1.101183 -3.364692 ESP Fit Center 4616 is at 0.981586 -1.469658 -3.364692 ESP Fit Center 4617 is at 1.307522 -1.743151 -3.364692 ESP Fit Center 4618 is at 1.707341 -1.888673 -3.364692 ESP Fit Center 4619 is at 2.132819 -1.888673 -3.364692 ESP Fit Center 4620 is at 2.532638 -1.743151 -3.364692 ESP Fit Center 4621 is at 2.858573 -1.469658 -3.364692 ESP Fit Center 4622 is at 3.071312 -1.101183 -3.364692 ESP Fit Center 4623 is at 2.746146 -0.682169 -3.484160 ESP Fit Center 4624 is at 2.635474 -0.269136 -3.484160 ESP Fit Center 4625 is at 2.333113 0.033225 -3.484160 ESP Fit Center 4626 is at 1.920080 0.143897 -3.484160 ESP Fit Center 4627 is at 1.507047 0.033225 -3.484160 ESP Fit Center 4628 is at 1.204686 -0.269136 -3.484160 ESP Fit Center 4629 is at 1.094014 -0.682169 -3.484160 ESP Fit Center 4630 is at 1.204686 -1.095202 -3.484160 ESP Fit Center 4631 is at 1.507047 -1.397563 -3.484160 ESP Fit Center 4632 is at 1.920080 -1.508235 -3.484160 ESP Fit Center 4633 is at 2.333113 -1.397563 -3.484160 ESP Fit Center 4634 is at 2.635474 -1.095202 -3.484160 ESP Fit Center 4635 is at 2.335925 -0.682169 -3.556493 ESP Fit Center 4636 is at 2.128002 -0.322037 -3.556493 ESP Fit Center 4637 is at 1.712157 -0.322037 -3.556493 ESP Fit Center 4638 is at 1.504235 -0.682169 -3.556493 ESP Fit Center 4639 is at 1.712157 -1.042301 -3.556493 ESP Fit Center 4640 is at 2.128002 -1.042301 -3.556493 ESP Fit Center 4641 is at 1.920080 -0.682169 -3.580713 ESP Fit Center 4642 is at -0.424291 -3.409904 2.086261 ESP Fit Center 4643 is at -0.010993 -3.299161 2.086261 ESP Fit Center 4644 is at -1.024307 -3.622566 1.886656 ESP Fit Center 4645 is at -0.632675 -3.765109 1.886656 ESP Fit Center 4646 is at -0.215908 -3.765109 1.886656 ESP Fit Center 4647 is at 0.175724 -3.622566 1.886656 ESP Fit Center 4648 is at -1.305084 -3.831108 1.618032 ESP Fit Center 4649 is at -0.935770 -4.022471 1.618032 ESP Fit Center 4650 is at -0.528521 -4.107098 1.618032 ESP Fit Center 4651 is at -0.113543 -4.078713 1.618032 ESP Fit Center 4652 is at 0.278389 -3.939420 1.618032 ESP Fit Center 4653 is at 0.618207 -3.699551 1.618032 ESP Fit Center 4654 is at -1.322279 -4.138668 1.290713 ESP Fit Center 4655 is at -0.939383 -4.303833 1.290713 ESP Fit Center 4656 is at -0.528718 -4.376244 1.290713 ESP Fit Center 4657 is at -0.112424 -4.351998 1.290713 ESP Fit Center 4658 is at 0.287058 -4.232401 1.290713 ESP Fit Center 4659 is at 0.648190 -4.023901 1.290713 ESP Fit Center 4660 is at -1.422081 -4.311531 0.917277 ESP Fit Center 4661 is at -1.040959 -4.481217 0.917277 ESP Fit Center 4662 is at -0.632886 -4.567956 0.917277 ESP Fit Center 4663 is at -0.215696 -4.567956 0.917277 ESP Fit Center 4664 is at 0.192377 -4.481217 0.917277 ESP Fit Center 4665 is at 0.573499 -4.311531 0.917277 ESP Fit Center 4666 is at 0.911012 -4.066313 0.917277 ESP Fit Center 4667 is at -1.235005 -4.540543 0.512076 ESP Fit Center 4668 is at -0.837589 -4.661098 0.512076 ESP Fit Center 4669 is at -0.424291 -4.701804 0.512076 ESP Fit Center 4670 is at -0.010993 -4.661098 0.512076 ESP Fit Center 4671 is at 0.386422 -4.540543 0.512076 ESP Fit Center 4672 is at 0.752682 -4.344773 0.512076 ESP Fit Center 4673 is at -1.130758 -4.624510 0.090681 ESP Fit Center 4674 is at -0.731691 -4.721322 0.090681 ESP Fit Center 4675 is at -0.321514 -4.740862 0.090681 ESP Fit Center 4676 is at 0.084948 -4.682421 0.090681 ESP Fit Center 4677 is at 0.473005 -4.548113 0.090681 ESP Fit Center 4678 is at 0.828632 -4.342792 0.090681 ESP Fit Center 4679 is at -1.235005 -4.540543 -0.330714 ESP Fit Center 4680 is at -0.837589 -4.661098 -0.330714 ESP Fit Center 4681 is at -0.424291 -4.701804 -0.330714 ESP Fit Center 4682 is at -0.010993 -4.661098 -0.330714 ESP Fit Center 4683 is at 0.386422 -4.540543 -0.330714 ESP Fit Center 4684 is at 0.752682 -4.344773 -0.330714 ESP Fit Center 4685 is at -1.422081 -4.311531 -0.735915 ESP Fit Center 4686 is at -1.040959 -4.481217 -0.735915 ESP Fit Center 4687 is at -0.632886 -4.567956 -0.735915 ESP Fit Center 4688 is at -0.215696 -4.567956 -0.735915 ESP Fit Center 4689 is at 0.192377 -4.481217 -0.735915 ESP Fit Center 4690 is at 0.573499 -4.311531 -0.735915 ESP Fit Center 4691 is at 0.911012 -4.066313 -0.735915 ESP Fit Center 4692 is at -1.322279 -4.138668 -1.109351 ESP Fit Center 4693 is at -0.939383 -4.303833 -1.109351 ESP Fit Center 4694 is at -0.528718 -4.376244 -1.109351 ESP Fit Center 4695 is at -0.112424 -4.351998 -1.109351 ESP Fit Center 4696 is at 0.287058 -4.232401 -1.109351 ESP Fit Center 4697 is at 0.648190 -4.023901 -1.109351 ESP Fit Center 4698 is at -0.935770 -4.022471 -1.436669 ESP Fit Center 4699 is at -0.528521 -4.107098 -1.436669 ESP Fit Center 4700 is at -0.113543 -4.078713 -1.436669 ESP Fit Center 4701 is at 0.278389 -3.939420 -1.436669 ESP Fit Center 4702 is at 0.618207 -3.699551 -1.436669 ESP Fit Center 4703 is at -0.632675 -3.765109 -1.705293 ESP Fit Center 4704 is at -0.215908 -3.765109 -1.705293 ESP Fit Center 4705 is at 0.175724 -3.622566 -1.705293 ESP Fit Center 4706 is at -0.010993 -3.299161 -1.904899 ESP Fit Center 4707 is at 1.725039 1.839284 3.652169 ESP Fit Center 4708 is at 1.514341 1.474345 3.652169 ESP Fit Center 4709 is at 2.130240 1.839284 3.529252 ESP Fit Center 4710 is at 2.019497 2.252582 3.529252 ESP Fit Center 4711 is at 1.303644 1.012688 3.529252 ESP Fit Center 4712 is at 1.716942 1.123431 3.529252 ESP Fit Center 4713 is at 2.019497 1.425986 3.529252 ESP Fit Center 4714 is at 2.503675 1.839284 3.329647 ESP Fit Center 4715 is at 2.431304 2.249719 3.329647 ESP Fit Center 4716 is at 1.095260 0.657483 3.329647 ESP Fit Center 4717 is at 1.512027 0.657483 3.329647 ESP Fit Center 4718 is at 1.903659 0.800026 3.329647 ESP Fit Center 4719 is at 2.222921 1.067918 3.329647 ESP Fit Center 4720 is at 2.431304 1.428849 3.329647 ESP Fit Center 4721 is at 2.830994 1.839284 3.061023 ESP Fit Center 4722 is at 2.774356 2.251358 3.061023 ESP Fit Center 4723 is at 2.608642 2.632871 3.061023 ESP Fit Center 4724 is at 2.774356 1.427210 3.061023 ESP Fit Center 4725 is at 3.099618 1.839284 2.733704 ESP Fit Center 4726 is at 3.051207 2.253464 2.733704 ESP Fit Center 4727 is at 2.908585 2.645316 2.733704 ESP Fit Center 4728 is at 3.051207 1.425104 2.733704 ESP Fit Center 4729 is at 3.299223 1.839284 2.360269 ESP Fit Center 4730 is at 3.255615 2.254188 2.360269 ESP Fit Center 4731 is at 3.126696 2.650959 2.360269 ESP Fit Center 4732 is at 2.918101 3.012256 2.360269 ESP Fit Center 4733 is at 3.381433 2.252582 1.955068 ESP Fit Center 4734 is at 3.260879 2.649997 1.955068 ESP Fit Center 4735 is at 3.065109 3.016257 1.955068 ESP Fit Center 4736 is at 3.424610 2.248067 1.533673 ESP Fit Center 4737 is at 3.308918 2.642075 1.533673 ESP Fit Center 4738 is at 3.260879 2.649997 1.112277 ESP Fit Center 4739 is at -0.184664 4.322919 -1.982179 ESP Fit Center 4740 is at 0.935101 4.359507 -2.403574 ESP Fit Center 4741 is at 0.521803 4.400213 -2.403574 ESP Fit Center 4742 is at 0.108505 4.359507 -2.403574 ESP Fit Center 4743 is at -0.288910 4.238952 -2.403574 ESP Fit Center 4744 is at -0.655170 4.043182 -2.403574 ESP Fit Center 4745 is at -0.976200 3.779720 -2.403574 ESP Fit Center 4746 is at -1.239662 3.458690 -2.403574 ESP Fit Center 4747 is at -1.555987 2.695015 -2.403574 ESP Fit Center 4748 is at -1.596693 2.281717 -2.403574 ESP Fit Center 4749 is at 1.857107 3.764722 -2.808775 ESP Fit Center 4750 is at 1.519593 4.009940 -2.808775 ESP Fit Center 4751 is at 1.138471 4.179626 -2.808775 ESP Fit Center 4752 is at 0.730398 4.266365 -2.808775 ESP Fit Center 4753 is at 0.313208 4.266365 -2.808775 ESP Fit Center 4754 is at -0.094865 4.179626 -2.808775 ESP Fit Center 4755 is at -0.475987 4.009940 -2.808775 ESP Fit Center 4756 is at -0.813500 3.764722 -2.808775 ESP Fit Center 4757 is at -1.092655 3.454689 -2.808775 ESP Fit Center 4758 is at -1.301250 3.093392 -2.808775 ESP Fit Center 4759 is at -1.430168 2.696621 -2.808775 ESP Fit Center 4760 is at -1.473777 2.281717 -2.808775 ESP Fit Center 4761 is at -1.430168 1.866813 -2.808775 ESP Fit Center 4762 is at -1.301250 1.470042 -2.808775 ESP Fit Center 4763 is at -1.092655 1.108745 -2.808775 ESP Fit Center 4764 is at -0.813500 0.798712 -2.808775 ESP Fit Center 4765 is at -0.475987 0.553494 -2.808775 ESP Fit Center 4766 is at -0.094865 0.383808 -2.808775 ESP Fit Center 4767 is at 2.317778 2.281717 -3.182210 ESP Fit Center 4768 is at 2.269367 2.695897 -3.182210 ESP Fit Center 4769 is at 2.126745 3.087749 -3.182210 ESP Fit Center 4770 is at 1.897599 3.436147 -3.182210 ESP Fit Center 4771 is at 1.594285 3.722310 -3.182210 ESP Fit Center 4772 is at 1.233152 3.930810 -3.182210 ESP Fit Center 4773 is at 0.833671 4.050407 -3.182210 ESP Fit Center 4774 is at 0.417377 4.074653 -3.182210 ESP Fit Center 4775 is at 0.006712 4.002242 -3.182210 ESP Fit Center 4776 is at -0.376184 3.837076 -3.182210 ESP Fit Center 4777 is at -0.710669 3.588061 -3.182210 ESP Fit Center 4778 is at -0.978711 3.268621 -3.182210 ESP Fit Center 4779 is at -1.165861 2.895976 -3.182210 ESP Fit Center 4780 is at -1.262027 2.490217 -3.182210 ESP Fit Center 4781 is at -1.262027 2.073217 -3.182210 ESP Fit Center 4782 is at -1.165861 1.667458 -3.182210 ESP Fit Center 4783 is at -0.978711 1.294813 -3.182210 ESP Fit Center 4784 is at -0.710669 0.975373 -3.182210 ESP Fit Center 4785 is at -0.376184 0.726358 -3.182210 ESP Fit Center 4786 is at 0.006712 0.561192 -3.182210 ESP Fit Center 4787 is at 0.417377 0.488781 -3.182210 ESP Fit Center 4788 is at 1.897599 1.127287 -3.182210 ESP Fit Center 4789 is at 2.126745 1.475685 -3.182210 ESP Fit Center 4790 is at 2.269367 1.867537 -3.182210 ESP Fit Center 4791 is at 2.049154 2.281717 -3.509529 ESP Fit Center 4792 is at 1.992516 2.693791 -3.509529 ESP Fit Center 4793 is at 1.826801 3.075304 -3.509529 ESP Fit Center 4794 is at 1.564301 3.397960 -3.509529 ESP Fit Center 4795 is at 1.224484 3.637829 -3.509529 ESP Fit Center 4796 is at 0.832552 3.777122 -3.509529 ESP Fit Center 4797 is at 0.417573 3.805507 -3.509529 ESP Fit Center 4798 is at 0.010325 3.720880 -3.509529 ESP Fit Center 4799 is at -0.358990 3.529517 -3.509529 ESP Fit Center 4800 is at -0.662980 3.245610 -3.509529 ESP Fit Center 4801 is at -0.879100 2.890215 -3.509529 ESP Fit Center 4802 is at -0.991322 2.489691 -3.509529 ESP Fit Center 4803 is at -0.991322 2.073743 -3.509529 ESP Fit Center 4804 is at -0.879100 1.673219 -3.509529 ESP Fit Center 4805 is at -0.662980 1.317824 -3.509529 ESP Fit Center 4806 is at -0.358990 1.033918 -3.509529 ESP Fit Center 4807 is at 0.010325 0.842554 -3.509529 ESP Fit Center 4808 is at 0.417573 0.757927 -3.509529 ESP Fit Center 4809 is at 0.832552 0.786312 -3.509529 ESP Fit Center 4810 is at 1.224484 0.925605 -3.509529 ESP Fit Center 4811 is at 1.564301 1.165474 -3.509529 ESP Fit Center 4812 is at 1.826801 1.488130 -3.509529 ESP Fit Center 4813 is at 1.992516 1.869643 -3.509529 ESP Fit Center 4814 is at 1.721835 2.281717 -3.778153 ESP Fit Center 4815 is at 1.649464 2.692152 -3.778153 ESP Fit Center 4816 is at 1.441081 3.053083 -3.778153 ESP Fit Center 4817 is at 1.121819 3.320975 -3.778153 ESP Fit Center 4818 is at 0.730187 3.463518 -3.778153 ESP Fit Center 4819 is at 0.313420 3.463518 -3.778153 ESP Fit Center 4820 is at -0.078213 3.320975 -3.778153 ESP Fit Center 4821 is at -0.397474 3.053083 -3.778153 ESP Fit Center 4822 is at -0.605858 2.692152 -3.778153 ESP Fit Center 4823 is at -0.678228 2.281717 -3.778153 ESP Fit Center 4824 is at -0.605858 1.871282 -3.778153 ESP Fit Center 4825 is at -0.397474 1.510352 -3.778153 ESP Fit Center 4826 is at -0.078213 1.242459 -3.778153 ESP Fit Center 4827 is at 0.313420 1.099917 -3.778153 ESP Fit Center 4828 is at 0.730187 1.099917 -3.778153 ESP Fit Center 4829 is at 1.121819 1.242459 -3.778153 ESP Fit Center 4830 is at 1.441081 1.510352 -3.778153 ESP Fit Center 4831 is at 1.649464 1.871282 -3.778153 ESP Fit Center 4832 is at 1.348399 2.281717 -3.977758 ESP Fit Center 4833 is at 1.237657 2.695015 -3.977758 ESP Fit Center 4834 is at 0.935101 2.997570 -3.977758 ESP Fit Center 4835 is at 0.521803 3.108313 -3.977758 ESP Fit Center 4836 is at 0.108505 2.997570 -3.977758 ESP Fit Center 4837 is at -0.194050 2.695015 -3.977758 ESP Fit Center 4838 is at -0.304793 2.281717 -3.977758 ESP Fit Center 4839 is at -0.194050 1.868419 -3.977758 ESP Fit Center 4840 is at 0.108505 1.565864 -3.977758 ESP Fit Center 4841 is at 0.521803 1.455121 -3.977758 ESP Fit Center 4842 is at 0.935101 1.565864 -3.977758 ESP Fit Center 4843 is at 1.237657 1.868419 -3.977758 ESP Fit Center 4844 is at 0.943198 2.281717 -4.100675 ESP Fit Center 4845 is at 0.732501 2.646656 -4.100675 ESP Fit Center 4846 is at 0.311106 2.646656 -4.100675 ESP Fit Center 4847 is at 0.100408 2.281717 -4.100675 ESP Fit Center 4848 is at 0.311106 1.916778 -4.100675 ESP Fit Center 4849 is at 0.732501 1.916778 -4.100675 ESP Fit Center 4850 is at 0.521803 2.281717 -4.142179 ESP Fit Center 4851 is at 0.375755 5.028065 -0.696166 ESP Fit Center 4852 is at -0.031785 5.070900 -0.696166 ESP Fit Center 4853 is at 0.174875 4.945262 -1.090436 ESP Fit Center 4854 is at -0.134294 4.799092 -1.465993 ESP Fit Center 4855 is at 0.906506 2.509191 4.229908 ESP Fit Center 4856 is at 0.702256 2.862962 4.229908 ESP Fit Center 4857 is at 0.702256 2.155419 4.229908 ESP Fit Center 4858 is at 1.307396 2.509191 4.146602 ESP Fit Center 4859 is at 1.198958 2.913886 4.146602 ESP Fit Center 4860 is at 0.902701 3.210143 4.146602 ESP Fit Center 4861 is at 0.902701 1.808238 4.146602 ESP Fit Center 4862 is at 1.198958 2.104495 4.146602 ESP Fit Center 4863 is at 1.693209 2.509191 4.009484 ESP Fit Center 4864 is at 1.621129 2.917974 4.009484 ESP Fit Center 4865 is at 1.413584 3.277452 4.009484 ESP Fit Center 4866 is at 1.095607 3.544267 4.009484 ESP Fit Center 4867 is at 0.705550 3.686236 4.009484 ESP Fit Center 4868 is at 0.705550 1.332145 4.009484 ESP Fit Center 4869 is at 1.095607 1.474114 4.009484 ESP Fit Center 4870 is at 1.413584 1.740929 4.009484 ESP Fit Center 4871 is at 1.621129 2.100407 4.009484 ESP Fit Center 4872 is at 2.056757 2.509191 3.821109 ESP Fit Center 4873 is at 1.998955 2.929737 3.821109 ESP Fit Center 4874 is at 1.829833 3.319093 3.821109 ESP Fit Center 4875 is at 1.561937 3.648382 3.821109 ESP Fit Center 4876 is at 1.215133 3.893183 3.821109 ESP Fit Center 4877 is at 0.815143 4.035340 3.821109 ESP Fit Center 4878 is at 0.391633 4.064309 3.821109 ESP Fit Center 4879 is at 0.391633 0.954073 3.821109 ESP Fit Center 4880 is at 0.815143 0.983041 3.821109 ESP Fit Center 4881 is at 1.998955 2.088644 3.821109 ESP Fit Center 4882 is at 2.391269 2.509191 3.584984 ESP Fit Center 4883 is at 2.347006 2.916186 3.584984 ESP Fit Center 4884 is at 2.216285 3.304151 3.584984 ESP Fit Center 4885 is at 2.005220 3.654945 3.584984 ESP Fit Center 4886 is at 1.723679 3.952164 3.584984 ESP Fit Center 4887 is at 1.384826 4.181912 3.584984 ESP Fit Center 4888 is at 1.004507 4.333445 3.584984 ESP Fit Center 4889 is at 0.600505 4.399678 3.584984 ESP Fit Center 4890 is at 0.191710 4.377514 3.584984 ESP Fit Center 4891 is at 0.191710 0.640868 3.584984 ESP Fit Center 4892 is at 0.600505 0.618703 3.584984 ESP Fit Center 4893 is at 2.650892 2.924125 3.305510 ESP Fit Center 4894 is at 2.533460 3.324063 3.305510 ESP Fit Center 4895 is at 2.342461 3.694550 3.305510 ESP Fit Center 4896 is at 2.084798 4.022194 3.305510 ESP Fit Center 4897 is at 1.769785 4.295155 3.305510 ESP Fit Center 4898 is at 1.408806 4.503566 3.305510 ESP Fit Center 4899 is at 1.014909 4.639895 3.305510 ESP Fit Center 4900 is at 0.602329 4.699215 3.305510 ESP Fit Center 4901 is at 0.185979 4.679382 3.305510 ESP Fit Center 4902 is at -0.219094 4.581112 3.305510 ESP Fit Center 4903 is at -0.219094 0.437269 3.305510 ESP Fit Center 4904 is at 2.913661 2.923396 2.987891 ESP Fit Center 4905 is at 2.808913 3.325686 2.987891 ESP Fit Center 4906 is at 2.637684 3.704487 2.987891 ESP Fit Center 4907 is at 2.404901 4.048901 2.987891 ESP Fit Center 4908 is at 0.186696 4.940249 2.987891 ESP Fit Center 4909 is at -0.219677 4.852669 2.987891 ESP Fit Center 4910 is at -0.605403 4.697671 2.987891 ESP Fit Center 4911 is at -0.605403 0.320710 2.987891 ESP Fit Center 4912 is at 3.031293 3.332305 2.638046 ESP Fit Center 4913 is at 2.871340 3.718465 2.638046 ESP Fit Center 4914 is at -0.325109 5.042478 2.638046 ESP Fit Center 4915 is at -0.711269 4.882525 2.638046 ESP Fit Center 4916 is at 3.204934 3.323584 2.262489 ESP Fit Center 4917 is at 3.057511 3.709037 2.262489 ESP Fit Center 4918 is at -0.794519 5.023168 2.262489 ESP Fit Center 4919 is at -1.146783 4.808184 2.262489 ESP Fit Center 4920 is at 3.321474 3.318807 1.868219 ESP Fit Center 4921 is at -0.970621 5.052926 1.868219 ESP Fit Center 4922 is at -1.310348 4.823777 1.868219 ESP Fit Center 4923 is at -1.614877 4.549577 1.868219 ESP Fit Center 4924 is at 3.461884 2.925737 1.462578 ESP Fit Center 4925 is at 3.375068 3.334175 1.462578 ESP Fit Center 4926 is at -0.998498 5.101210 1.462578 ESP Fit Center 4927 is at -1.344673 4.867712 1.462578 ESP Fit Center 4928 is at -1.654983 4.588307 1.462578 ESP Fit Center 4929 is at -1.923387 4.268436 1.462578 ESP Fit Center 4930 is at 3.461884 2.925737 1.053123 ESP Fit Center 4931 is at 3.375068 3.334175 1.053123 ESP Fit Center 4932 is at -0.998498 5.101210 1.053123 ESP Fit Center 4933 is at -1.344673 4.867712 1.053123 ESP Fit Center 4934 is at 3.321474 3.318807 0.647482 ESP Fit Center 4935 is at -0.970621 5.052926 0.647482 ESP Fit Center 4936 is at 3.204934 3.323584 0.253212 ESP Fit Center 4937 is at 3.188969 3.335792 -0.075654 ESP Fit Center 4938 is at 2.975268 3.684521 -0.075654 ESP Fit Center 4939 is at 3.469188 2.976126 -0.475551 ESP Fit Center 4940 is at 3.312959 3.363755 -0.475551 ESP Fit Center 4941 is at 3.099390 3.722994 -0.475551 ESP Fit Center 4942 is at 2.833487 4.045421 -0.475551 ESP Fit Center 4943 is at 2.521481 4.323479 -0.475551 ESP Fit Center 4944 is at 3.534731 2.975497 -0.889365 ESP Fit Center 4945 is at 3.382267 3.363967 -0.889365 ESP Fit Center 4946 is at 3.173608 3.725376 -0.889365 ESP Fit Center 4947 is at 2.913414 4.051648 -0.889365 ESP Fit Center 4948 is at 2.607498 4.335497 -0.889365 ESP Fit Center 4949 is at 2.262694 4.570580 -0.889365 ESP Fit Center 4950 is at 1.886703 4.751648 -0.889365 ESP Fit Center 4951 is at 1.487925 4.874655 -0.889365 ESP Fit Center 4952 is at 1.075267 4.936853 -0.889365 ESP Fit Center 4953 is at 0.657949 4.936853 -0.889365 ESP Fit Center 4954 is at 3.534731 2.975497 -1.307854 ESP Fit Center 4955 is at 3.382267 3.363967 -1.307854 ESP Fit Center 4956 is at 3.173608 3.725376 -1.307854 ESP Fit Center 4957 is at 2.913414 4.051648 -1.307854 ESP Fit Center 4958 is at 2.607498 4.335497 -1.307854 ESP Fit Center 4959 is at 2.262694 4.570580 -1.307854 ESP Fit Center 4960 is at 1.886703 4.751648 -1.307854 ESP Fit Center 4961 is at 1.487925 4.874655 -1.307854 ESP Fit Center 4962 is at 1.075267 4.936853 -1.307854 ESP Fit Center 4963 is at 0.657949 4.936853 -1.307854 ESP Fit Center 4964 is at 0.245292 4.874655 -1.307854 ESP Fit Center 4965 is at 3.564414 2.569192 -1.721668 ESP Fit Center 4966 is at 3.469188 2.976126 -1.721668 ESP Fit Center 4967 is at 3.312959 3.363755 -1.721668 ESP Fit Center 4968 is at 3.099390 3.722994 -1.721668 ESP Fit Center 4969 is at 2.833487 4.045421 -1.721668 ESP Fit Center 4970 is at 2.521481 4.323479 -1.721668 ESP Fit Center 4971 is at 2.170687 4.550651 -1.721668 ESP Fit Center 4972 is at 1.789326 4.721612 -1.721668 ESP Fit Center 4973 is at 1.386338 4.832355 -1.721668 ESP Fit Center 4974 is at 0.971167 4.880285 -1.721668 ESP Fit Center 4975 is at 0.553546 4.864277 -1.721668 ESP Fit Center 4976 is at 0.143262 4.784707 -1.721668 ESP Fit Center 4977 is at 3.440965 2.560228 -2.121564 ESP Fit Center 4978 is at 3.345486 2.957926 -2.121564 ESP Fit Center 4979 is at 3.188969 3.335792 -2.121564 ESP Fit Center 4980 is at 2.975268 3.684521 -2.121564 ESP Fit Center 4981 is at 2.709644 3.995526 -2.121564 ESP Fit Center 4982 is at 2.398639 4.261149 -2.121564 ESP Fit Center 4983 is at 2.049910 4.474851 -2.121564 ESP Fit Center 4984 is at 1.672045 4.631368 -2.121564 ESP Fit Center 4985 is at 1.274346 4.726847 -2.121564 ESP Fit Center 4986 is at 0.866608 4.758936 -2.121564 ESP Fit Center 4987 is at 0.458870 4.726847 -2.121564 ESP Fit Center 4988 is at 3.291479 2.152490 -2.498609 ESP Fit Center 4989 is at 3.256600 2.562295 -2.498609 ESP Fit Center 4990 is at 3.152965 2.960311 -2.498609 ESP Fit Center 4991 is at 2.983555 3.335087 -2.498609 ESP Fit Center 4992 is at 2.753245 3.675842 -2.498609 ESP Fit Center 4993 is at 2.468659 3.972773 -2.498609 ESP Fit Center 4994 is at 2.137986 4.217338 -2.498609 ESP Fit Center 4995 is at 1.770737 4.402501 -2.498609 ESP Fit Center 4996 is at 1.377478 4.522935 -2.498609 ESP Fit Center 4997 is at 3.055736 2.152490 -2.844381 ESP Fit Center 4998 is at 3.016176 2.566785 -2.844381 ESP Fit Center 4999 is at 2.898925 2.966107 -2.844381 ESP Fit Center 5000 is at 2.708220 3.336022 -2.844381 ESP Fit Center 5001 is at 2.450955 3.663161 -2.844381 ESP Fit Center 5002 is at 2.136427 3.935701 -2.844381 ESP Fit Center 5003 is at 1.776005 4.143791 -2.844381 ESP Fit Center 5004 is at 2.771092 2.152490 -3.151155 ESP Fit Center 5005 is at 2.726566 2.561897 -3.151155 ESP Fit Center 5006 is at 2.595071 2.952162 -3.151155 ESP Fit Center 5007 is at 2.382754 3.305034 -3.151155 ESP Fit Center 5008 is at 2.726566 1.743082 -3.151155 ESP Fit Center 5009 is at 2.232587 1.363842 -3.412078 ESP Fit Center 5010 is at 2.390159 1.744256 -3.412078 ESP Fit Center 5011 is at -3.095960 -2.609214 2.883686 ESP Fit Center 5012 is at -3.304619 -2.247806 2.852413 ESP Fit Center 5013 is at -3.513278 -2.609214 2.852413 ESP Fit Center 5014 is at 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-3.390121 2.606399 ESP Fit Center 5033 is at -4.461939 -1.820566 2.397155 ESP Fit Center 5034 is at -4.619511 -2.200980 2.397155 ESP Fit Center 5035 is at -4.673256 -2.609214 2.397155 ESP Fit Center 5036 is at -4.619511 -3.017449 2.397155 ESP Fit Center 5037 is at -4.461939 -3.397862 2.397155 ESP Fit Center 5038 is at -4.211277 -3.724531 2.397155 ESP Fit Center 5039 is at -3.884608 -3.975193 2.397155 ESP Fit Center 5040 is at -3.504194 -4.132765 2.397155 ESP Fit Center 5041 is at -3.095960 -4.186510 2.397155 ESP Fit Center 5042 is at -2.687726 -4.132765 2.397155 ESP Fit Center 5043 is at -2.307312 -3.975193 2.397155 ESP Fit Center 5044 is at -1.980643 -3.724531 2.397155 ESP Fit Center 5045 is at -1.729982 -3.397862 2.397155 ESP Fit Center 5046 is at -4.727831 -1.627350 2.136232 ESP Fit Center 5047 is at -4.900750 -2.001110 2.136232 ESP Fit Center 5048 is at -4.989280 -2.403303 2.136232 ESP Fit Center 5049 is at -4.989280 -2.815125 2.136232 ESP Fit Center 5050 is at -4.900750 -3.217319 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Center 5521 is at -4.663625 3.981024 0.497728 ESP Fit Center 5522 is at -4.953430 3.679898 0.497728 ESP Fit Center 5523 is at -5.193872 3.338062 0.497728 ESP Fit Center 5524 is at -5.379315 2.963529 0.497728 ESP Fit Center 5525 is at -5.505412 2.565078 0.497728 ESP Fit Center 5526 is at -5.569209 2.152048 0.497728 ESP Fit Center 5527 is at -5.569209 1.734120 0.497728 ESP Fit Center 5528 is at -2.638761 4.727447 0.083913 ESP Fit Center 5529 is at -3.056079 4.727447 0.083913 ESP Fit Center 5530 is at -3.468737 4.665249 0.083913 ESP Fit Center 5531 is at -3.867515 4.542243 0.083913 ESP Fit Center 5532 is at -4.243506 4.361175 0.083913 ESP Fit Center 5533 is at -4.588310 4.126091 0.083913 ESP Fit Center 5534 is at -4.894226 3.842243 0.083913 ESP Fit Center 5535 is at -5.154420 3.515970 0.083913 ESP Fit Center 5536 is at -5.363079 3.154562 0.083913 ESP Fit Center 5537 is at -5.515543 2.766091 0.083913 ESP Fit Center 5538 is at -5.608405 2.359236 0.083913 ESP Fit Center 5539 is at -5.639591 1.943084 0.083913 ESP Fit Center 5540 is at -5.608405 1.526933 0.083913 ESP Fit Center 5541 is at -2.638761 4.727447 -0.334575 ESP Fit Center 5542 is at -3.056079 4.727447 -0.334575 ESP Fit Center 5543 is at -3.468737 4.665249 -0.334575 ESP Fit Center 5544 is at -3.867515 4.542243 -0.334575 ESP Fit Center 5545 is at -4.243506 4.361175 -0.334575 ESP Fit Center 5546 is at -4.588310 4.126091 -0.334575 ESP Fit Center 5547 is at -4.894226 3.842243 -0.334575 ESP Fit Center 5548 is at -5.154420 3.515970 -0.334575 ESP Fit Center 5549 is at -5.363079 3.154562 -0.334575 ESP Fit Center 5550 is at -5.515543 2.766091 -0.334575 ESP Fit Center 5551 is at -5.608405 2.359236 -0.334575 ESP Fit Center 5552 is at -5.639591 1.943084 -0.334575 ESP Fit Center 5553 is at -5.608405 1.526933 -0.334575 ESP Fit Center 5554 is at -2.742861 4.670879 -0.748390 ESP Fit Center 5555 is at -3.160483 4.654871 -0.748390 ESP Fit Center 5556 is at -3.570766 4.575302 -0.748390 ESP Fit Center 5557 is at -3.964095 4.434035 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ESP Fit Center 5576 is at -5.421777 2.350822 -1.148286 ESP Fit Center 5577 is at -5.453867 1.943084 -1.148286 ESP Fit Center 5578 is at -5.421777 1.535346 -1.148286 ESP Fit Center 5579 is at -2.744506 4.365770 -1.525331 ESP Fit Center 5580 is at -3.155422 4.348315 -1.525331 ESP Fit Center 5581 is at -3.557478 4.261665 -1.525331 ESP Fit Center 5582 is at -3.939106 4.108314 -1.525331 ESP Fit Center 5583 is at -4.289329 3.892674 -1.525331 ESP Fit Center 5584 is at -4.598071 3.620947 -1.525331 ESP Fit Center 5585 is at -4.856449 3.300951 -1.525331 ESP Fit Center 5586 is at -5.057032 2.941892 -1.525331 ESP Fit Center 5587 is at -5.194048 2.554099 -1.525331 ESP Fit Center 5588 is at -5.263556 2.148728 -1.525331 ESP Fit Center 5589 is at -5.263556 1.737441 -1.525331 ESP Fit Center 5590 is at -5.194048 1.332070 -1.525331 ESP Fit Center 5591 is at -2.331314 4.070504 -1.871102 ESP Fit Center 5592 is at -2.743257 4.129733 -1.871102 ESP Fit Center 5593 is at -3.158966 4.109930 -1.871102 ESP Fit Center 5594 is at -3.563414 4.011812 -1.871102 ESP Fit Center 5595 is at -3.941984 3.838925 -1.871102 ESP Fit Center 5596 is at -4.280994 3.597517 -1.871102 ESP Fit Center 5597 is at -4.568191 3.296313 -1.871102 ESP Fit Center 5598 is at -4.793195 2.946201 -1.871102 ESP Fit Center 5599 is at -4.947873 2.559833 -1.871102 ESP Fit Center 5600 is at -5.026636 2.151174 -1.871102 ESP Fit Center 5601 is at -5.026636 1.734994 -1.871102 ESP Fit Center 5602 is at -4.947873 1.326336 -1.871102 ESP Fit Center 5603 is at -2.337917 3.778149 -2.177876 ESP Fit Center 5604 is at -2.744314 3.844775 -2.177876 ESP Fit Center 5605 is at -3.155531 3.822479 -2.177876 ESP Fit Center 5606 is at -3.552342 3.712305 -2.177876 ESP Fit Center 5607 is at -3.916192 3.519404 -2.177876 ESP Fit Center 5608 is at -4.230067 3.252797 -2.177876 ESP Fit Center 5609 is at -4.479291 2.924948 -2.177876 ESP Fit Center 5610 is at -4.652210 2.551189 -2.177876 ESP Fit Center 5611 is at -4.740740 2.148995 -2.177876 ESP Fit Center 5612 is at -4.740740 1.737173 -2.177876 ESP Fit Center 5613 is at -4.652210 1.334980 -2.177876 ESP Fit Center 5614 is at -2.058772 3.309063 -2.438799 ESP Fit Center 5615 is at -2.439186 3.466635 -2.438799 ESP Fit Center 5616 is at -2.847420 3.520380 -2.438799 ESP Fit Center 5617 is at -3.255655 3.466635 -2.438799 ESP Fit Center 5618 is at -3.636068 3.309063 -2.438799 ESP Fit Center 5619 is at -3.962737 3.058401 -2.438799 ESP Fit Center 5620 is at -4.213399 2.731732 -2.438799 ESP Fit Center 5621 is at -4.370971 2.351319 -2.438799 ESP Fit Center 5622 is at -4.424716 1.943084 -2.438799 ESP Fit Center 5623 is at -4.370971 1.534850 -2.438799 ESP Fit Center 5624 is at -4.213399 1.154436 -2.438799 ESP Fit Center 5625 is at -1.916772 2.723991 -2.648044 ESP Fit Center 5626 is at -2.239983 2.995196 -2.648044 ESP Fit Center 5627 is at -2.636459 3.139502 -2.648044 ESP Fit Center 5628 is at -3.058381 3.139502 -2.648044 ESP Fit Center 5629 is at -3.454857 2.995196 -2.648044 ESP Fit Center 5630 is at -3.778068 2.723991 -2.648044 ESP Fit Center 5631 is at -3.989029 2.358596 -2.648044 ESP Fit Center 5632 is at -4.062295 1.943084 -2.648044 ESP Fit Center 5633 is at -3.989029 1.527573 -2.648044 ESP Fit Center 5634 is at -3.778068 1.162178 -2.648044 ESP Fit Center 5635 is at -2.132677 2.355741 -2.800935 ESP Fit Center 5636 is at -2.434763 2.657828 -2.800935 ESP Fit Center 5637 is at -2.847420 2.768399 -2.800935 ESP Fit Center 5638 is at -3.260077 2.657828 -2.800935 ESP Fit Center 5639 is at -3.562164 2.355741 -2.800935 ESP Fit Center 5640 is at -3.672735 1.943084 -2.800935 ESP Fit Center 5641 is at -3.562164 1.530427 -2.800935 ESP Fit Center 5642 is at -2.430102 1.943084 -2.894057 ESP Fit Center 5643 is at -2.638761 2.304493 -2.894057 ESP Fit Center 5644 is at -3.056079 2.304493 -2.894057 ESP Fit Center 5645 is at -3.264739 1.943084 -2.894057 ESP Fit Center 5646 is at -3.056079 1.581676 -2.894057 ESP Fit Center 5647 is at -2.847420 1.943084 -2.925331 ESP Fit Center 5648 is at -1.534639 0.392030 2.828633 ESP Fit Center 5649 is at -1.238381 0.095773 2.828633 ESP Fit Center 5650 is at -1.431288 -0.238351 -2.811753 ESP Fit Center 5651 is at -1.238381 0.095773 -2.948871 ESP Fit Center 5652 is at -0.833686 -0.012665 -2.948871 ESP Fit Center 5653 is at -1.242186 0.796726 -3.032177 ESP Fit Center 5654 is at -1.037936 0.442954 -3.032177 ESP Fit Center 5655 is at -0.629436 0.442954 -3.032177 ESP Fit Center 5656 is at -0.898068 -0.056985 2.891009 ESP Fit Center 5657 is at -1.006505 -0.461681 2.891009 ESP Fit Center 5658 is at -1.392318 -0.461681 -2.749377 ESP Fit Center 5659 is at -1.006505 -0.461681 -2.886495 ESP Fit Center 5660 is at -0.898068 -0.866376 -2.886495 ESP Fit Center 5661 is at -0.901067 -1.626338 3.050421 ESP Fit Center 5662 is at -0.696817 -1.272567 3.022479 ESP Fit Center 5663 is at -1.105317 -1.272567 3.022479 ESP Fit Center 5664 is at -1.309567 -1.626338 3.022479 ESP Fit Center 5665 is at -1.105317 -1.980110 3.022479 ESP Fit Center 5666 is at -0.696817 -1.980110 3.022479 ESP Fit Center 5667 is at -0.901067 -0.816948 2.939173 ESP Fit Center 5668 is at -1.305763 -0.925386 2.939173 ESP Fit Center 5669 is at -1.602020 -1.221643 2.939173 ESP Fit Center 5670 is at -1.602020 -2.031034 2.939173 ESP Fit Center 5671 is at -1.305763 -2.327291 2.939173 ESP Fit Center 5672 is at -0.901067 -2.435729 2.939173 ESP Fit Center 5673 is at -0.496372 -2.327291 2.939173 ESP Fit Center 5674 is at -1.498669 -0.591262 2.802055 ESP Fit Center 5675 is at -1.498669 -2.661415 2.802055 ESP Fit Center 5676 is at -1.108612 -2.803384 2.802055 ESP Fit Center 5677 is at -0.693523 -2.803384 2.802055 ESP Fit Center 5678 is at -0.303466 -2.661415 2.802055 ESP Fit Center 5679 is at -1.423062 -3.095089 2.613679 ESP Fit Center 5680 is at -1.007440 -3.181456 2.613679 ESP Fit Center 5681 is at -0.583930 -3.152488 2.613679 ESP Fit Center 5682 is at -0.183940 -3.010331 2.613679 ESP Fit Center 5683 is at -1.601837 -3.385136 2.377555 ESP Fit Center 5684 is at -1.207363 -3.494661 2.377555 ESP Fit Center 5685 is at -0.798568 -3.516826 2.377555 ESP Fit Center 5686 is at -0.394566 -3.450593 2.377555 ESP Fit Center 5687 is at -0.014247 -3.299060 2.377555 ESP Fit Center 5688 is at -1.213094 -3.796530 2.098080 ESP Fit Center 5689 is at -1.212377 -4.057397 -1.679620 ESP Fit Center 5690 is at -1.213094 -3.796530 -1.997239 ESP Fit Center 5691 is at -0.796744 -3.816363 -1.997239 ESP Fit Center 5692 is at -1.601837 -3.385136 -2.276713 ESP Fit Center 5693 is at -1.207363 -3.494661 -2.276713 ESP Fit Center 5694 is at -0.798568 -3.516826 -2.276713 ESP Fit Center 5695 is at -0.394566 -3.450593 -2.276713 ESP Fit Center 5696 is at -1.423062 -3.095089 -2.512837 ESP Fit Center 5697 is at -1.007440 -3.181456 -2.512837 ESP Fit Center 5698 is at -0.583930 -3.152488 -2.512837 ESP Fit Center 5699 is at -0.183940 -3.010331 -2.512837 ESP Fit Center 5700 is at -1.498669 -0.591262 -2.701213 ESP Fit Center 5701 is at -1.498669 -2.661415 -2.701213 ESP Fit Center 5702 is at -1.108612 -2.803384 -2.701213 ESP Fit Center 5703 is at -0.693523 -2.803384 -2.701213 ESP Fit Center 5704 is at -0.303466 -2.661415 -2.701213 ESP Fit Center 5705 is at -1.305763 -0.925386 -2.838331 ESP Fit Center 5706 is at -1.602020 -1.221643 -2.838331 ESP Fit Center 5707 is at -1.602020 -2.031034 -2.838331 ESP Fit Center 5708 is at -1.305763 -2.327291 -2.838331 ESP Fit Center 5709 is at -0.901067 -2.435729 -2.838331 ESP Fit Center 5710 is at -0.496372 -2.327291 -2.838331 ESP Fit Center 5711 is at -1.105317 -1.272567 -2.921637 ESP Fit Center 5712 is at -1.309567 -1.626338 -2.921637 ESP Fit Center 5713 is at -1.105317 -1.980110 -2.921637 ESP Fit Center 5714 is at -0.696817 -1.980110 -2.921637 ESP Fit Center 5715 is at -0.901067 -1.626338 -2.949579 ESP Fit Center 5716 is at -1.835961 4.427833 1.219793 ESP Fit Center 5717 is at -1.437679 4.847750 0.877103 ESP Fit Center 5718 is at -1.832050 4.701691 0.877103 ESP Fit Center 5719 is at -2.188946 4.479236 0.877103 ESP Fit Center 5720 is at -1.237665 5.067947 0.497951 ESP Fit Center 5721 is at -1.654332 4.966864 0.497951 ESP Fit Center 5722 is at -2.044339 4.788754 0.497951 ESP Fit Center 5723 is at -0.599442 5.177788 0.093858 ESP Fit Center 5724 is at -1.022748 5.196798 0.093858 ESP Fit Center 5725 is at -1.442645 5.139919 0.093858 ESP Fit Center 5726 is at -1.845638 5.008979 0.093858 ESP Fit Center 5727 is at -2.218774 4.808186 0.093858 ESP Fit Center 5728 is at -0.499952 5.199178 -0.322897 ESP Fit Center 5729 is at -0.916708 5.235640 -0.322897 ESP Fit Center 5730 is at -1.333464 5.199178 -0.322897 ESP Fit Center 5731 is at -1.737556 5.090902 -0.322897 ESP Fit Center 5732 is at -2.116708 4.914101 -0.322897 ESP Fit Center 5733 is at -0.186334 5.083499 -0.739653 ESP Fit Center 5734 is at -0.599442 5.177788 -0.739653 ESP Fit Center 5735 is at -1.022748 5.196798 -0.739653 ESP Fit Center 5736 is at -1.442645 5.139919 -0.739653 ESP Fit Center 5737 is at -1.845638 5.008979 -0.739653 ESP Fit Center 5738 is at -2.218774 4.808186 -0.739653 ESP Fit Center 5739 is at -0.385010 5.027330 -1.143746 ESP Fit Center 5740 is at -0.809398 5.088348 -1.143746 ESP Fit Center 5741 is at -1.237665 5.067947 -1.143746 ESP Fit Center 5742 is at -1.654332 4.966864 -1.143746 ESP Fit Center 5743 is at -2.044339 4.788754 -1.143746 ESP Fit Center 5744 is at -2.393591 4.540053 -1.143746 ESP Fit Center 5745 is at -0.194848 4.784721 -1.522897 ESP Fit Center 5746 is at -0.601971 4.890133 -1.522897 ESP Fit Center 5747 is at -1.021980 4.911433 -1.522897 ESP Fit Center 5748 is at -1.437679 4.847750 -1.522897 ESP Fit Center 5749 is at -1.832050 4.701691 -1.522897 ESP Fit Center 5750 is at -2.188946 4.479236 -1.522897 ESP Fit Center 5751 is at -0.597455 4.646215 -1.865588 ESP Fit Center 5752 is at -1.023608 4.671036 -1.865588 ESP Fit Center 5753 is at -1.443998 4.596910 -1.865588 ESP Fit Center 5754 is at -1.835961 4.427833 -1.865588 ESP Fit Center 5755 is at -2.178368 4.172921 -1.865588 ESP Fit Center 5756 is at -1.021985 4.374734 -2.161404 ESP Fit Center 5757 is at -1.433323 4.289256 -2.161404 ESP Fit Center 5758 is at -1.806347 4.095971 -2.161404 ESP Fit Center 5759 is at -2.113390 3.809213 -2.161404 ESP Fit Center 5760 is at -1.125086 4.017409 -2.401358 ESP Fit Center 5761 is at -1.516708 3.874870 -2.401358 ESP Fit Center 5762 is at -1.835961 3.606985 -2.401358 ESP Fit Center 5763 is at -1.627583 3.246064 -2.578160 ESP Fit Center 5764 is at -1.737556 2.835640 -2.578160 ESP Fit Center 5765 is at 1.503658 4.553877 3.255132 ESP Fit Center 5766 is at 1.112036 4.696416 3.255132 ESP Fit Center 5767 is at 2.221763 4.316204 3.015177 ESP Fit Center 5768 is at 1.956626 4.642100 3.015177 ESP Fit Center 5769 is at 1.613396 4.884378 3.015177 ESP Fit Center 5770 is at 1.217528 5.025070 3.015177 ESP Fit Center 5771 is at 0.798381 5.053740 3.015177 ESP Fit Center 5772 is at 0.387043 4.968263 3.015177 ESP Fit Center 5773 is at 2.546608 4.339767 2.719361 ESP Fit Center 5774 is at 2.312036 4.696416 2.719361 ESP Fit Center 5775 is at 2.001538 4.989355 2.719361 ESP Fit Center 5776 is at 1.631854 5.202793 2.719361 ESP Fit Center 5777 is at 1.222912 5.325222 2.719361 ESP Fit Center 5778 is at 0.796759 5.350043 2.719361 ESP Fit Center 5779 is at 0.376369 5.275917 2.719361 ESP Fit Center 5780 is at -0.015595 5.106840 2.719361 ESP Fit Center 5781 is at 2.939573 3.933038 2.376671 ESP Fit Center 5782 is at 2.813676 4.334300 2.376671 ESP Fit Center 5783 is at 2.609583 4.702005 2.376671 ESP Fit Center 5784 is at 2.335649 5.021100 2.376671 ESP Fit Center 5785 is at 2.003089 5.278520 2.376671 ESP Fit Center 5786 is at 1.625519 5.463728 2.376671 ESP Fit Center 5787 is at 1.218395 5.569139 2.376671 ESP Fit Center 5788 is at 0.798386 5.590440 2.376671 ESP Fit Center 5789 is at 0.382687 5.526757 2.376671 ESP Fit Center 5790 is at -0.011684 5.380698 2.376671 ESP Fit Center 5791 is at -0.368580 5.158243 2.376671 ESP Fit Center 5792 is at 3.118165 3.941458 1.997519 ESP Fit Center 5793 is at 2.997371 4.352843 1.997519 ESP Fit Center 5794 is at 2.800906 4.733933 1.997519 ESP Fit Center 5795 is at 2.535868 5.070956 1.997519 ESP Fit Center 5796 is at 2.211839 5.351729 1.997519 ESP Fit Center 5797 is at 1.840528 5.566105 1.997519 ESP Fit Center 5798 is at 1.435357 5.706336 1.997519 ESP Fit Center 5799 is at 1.010968 5.767354 1.997519 ESP Fit Center 5800 is at 0.582701 5.746953 1.997519 ESP Fit Center 5801 is at 0.166034 5.645871 1.997519 ESP Fit Center 5802 is at -0.223973 5.467761 1.997519 ESP Fit Center 5803 is at -0.573224 5.219060 1.997519 ESP Fit Center 5804 is at 3.229214 3.936673 1.593426 ESP Fit Center 5805 is at 3.116486 4.345134 1.593426 ESP Fit Center 5806 is at 2.932635 4.726904 1.593426 ESP Fit Center 5807 is at 2.683572 5.069710 1.593426 ESP Fit Center 5808 is at 2.377301 5.362535 1.593426 ESP Fit Center 5809 is at 2.023665 5.595968 1.593426 ESP Fit Center 5810 is at 1.634032 5.762505 1.593426 ESP Fit Center 5811 is at 1.220924 5.856795 1.593426 ESP Fit Center 5812 is at 0.797619 5.875805 1.593426 ESP Fit Center 5813 is at 0.377721 5.818926 1.593426 ESP Fit Center 5814 is at -0.025272 5.687986 1.593426 ESP Fit Center 5815 is at -0.398408 5.487193 1.593426 ESP Fit Center 5816 is at 3.267197 3.931402 1.176671 ESP Fit Center 5817 is at 3.158921 4.335495 1.176671 ESP Fit Center 5818 is at 2.982119 4.714646 1.176671 ESP Fit Center 5819 is at 2.742165 5.057337 1.176671 ESP Fit Center 5820 is at 2.446349 5.353153 1.176671 ESP Fit Center 5821 is at 2.103658 5.593107 1.176671 ESP Fit Center 5822 is at 1.724507 5.769909 1.176671 ESP Fit Center 5823 is at 1.320414 5.878185 1.176671 ESP Fit Center 5824 is at 0.903658 5.914646 1.176671 ESP Fit Center 5825 is at 0.486903 5.878185 1.176671 ESP Fit Center 5826 is at 0.082810 5.769909 1.176671 ESP Fit Center 5827 is at -0.296342 5.593107 1.176671 ESP Fit Center 5828 is at -0.639032 5.353153 1.176671 ESP Fit Center 5829 is at 3.229214 3.936673 0.759915 ESP Fit Center 5830 is at 3.116486 4.345134 0.759915 ESP Fit Center 5831 is at 2.932635 4.726904 0.759915 ESP Fit Center 5832 is at 2.683572 5.069710 0.759915 ESP Fit Center 5833 is at 2.377301 5.362535 0.759915 ESP Fit Center 5834 is at 2.023665 5.595968 0.759915 ESP Fit Center 5835 is at 1.634032 5.762505 0.759915 ESP Fit Center 5836 is at 1.220924 5.856795 0.759915 ESP Fit Center 5837 is at 0.797619 5.875805 0.759915 ESP Fit Center 5838 is at 0.377721 5.818926 0.759915 ESP Fit Center 5839 is at -0.025272 5.687986 0.759915 ESP Fit Center 5840 is at -0.398408 5.487193 0.759915 ESP Fit Center 5841 is at -0.729695 5.223000 0.759915 ESP Fit Center 5842 is at 3.118165 3.941458 0.355822 ESP Fit Center 5843 is at 2.997371 4.352843 0.355822 ESP Fit Center 5844 is at 2.800906 4.733933 0.355822 ESP Fit Center 5845 is at 2.535868 5.070956 0.355822 ESP Fit Center 5846 is at 2.211839 5.351729 0.355822 ESP Fit Center 5847 is at 1.840528 5.566105 0.355822 ESP Fit Center 5848 is at 1.435357 5.706336 0.355822 ESP Fit Center 5849 is at 1.010968 5.767354 0.355822 ESP Fit Center 5850 is at 0.582701 5.746953 0.355822 ESP Fit Center 5851 is at 0.166034 5.645871 0.355822 ESP Fit Center 5852 is at -0.223973 5.467761 0.355822 ESP Fit Center 5853 is at -0.573224 5.219060 0.355822 ESP Fit Center 5854 is at 2.939573 3.933038 -0.023329 ESP Fit Center 5855 is at 2.813676 4.334300 -0.023329 ESP Fit Center 5856 is at 2.609583 4.702005 -0.023329 ESP Fit Center 5857 is at 2.335649 5.021100 -0.023329 ESP Fit Center 5858 is at 2.003089 5.278520 -0.023329 ESP Fit Center 5859 is at 1.625519 5.463728 -0.023329 ESP Fit Center 5860 is at 1.218395 5.569139 -0.023329 ESP Fit Center 5861 is at 0.798386 5.590440 -0.023329 ESP Fit Center 5862 is at 0.382687 5.526757 -0.023329 ESP Fit Center 5863 is at -0.011684 5.380698 -0.023329 ESP Fit Center 5864 is at -0.368580 5.158243 -0.023329 ESP Fit Center 5865 is at 2.546608 4.339767 -0.366020 ESP Fit Center 5866 is at 2.312036 4.696416 -0.366020 ESP Fit Center 5867 is at 2.001538 4.989355 -0.366020 ESP Fit Center 5868 is at 1.631854 5.202793 -0.366020 ESP Fit Center 5869 is at 1.222912 5.325222 -0.366020 ESP Fit Center 5870 is at 0.796759 5.350043 -0.366020 ESP Fit Center 5871 is at 0.376369 5.275917 -0.366020 ESP Fit Center 5872 is at 1.613396 4.884378 -0.661836 ESP Fit Center 5873 is at 1.217528 5.025070 -0.661836 ESP Fit Center 5874 is at 0.798381 5.053740 -0.661836 ESP Fit Center 5875 is at -0.262883 2.498415 4.435621 ESP Fit Center 5876 is at 0.153873 2.498415 4.399160 ESP Fit Center 5877 is at -0.054505 2.859336 4.399160 ESP Fit Center 5878 is at -0.471261 2.859336 4.399160 ESP Fit Center 5879 is at -0.679638 2.498415 4.399160 ESP Fit Center 5880 is at -0.471261 2.137494 4.399160 ESP Fit Center 5881 is at -0.054505 2.137494 4.399160 ESP Fit Center 5882 is at 0.557965 2.498415 4.290884 ESP Fit Center 5883 is at 0.447993 2.908839 4.290884 ESP Fit Center 5884 is at 0.147541 3.209291 4.290884 ESP Fit Center 5885 is at -0.262883 3.319263 4.290884 ESP Fit Center 5886 is at -0.673307 3.209291 4.290884 ESP Fit Center 5887 is at -0.973758 2.908839 4.290884 ESP Fit Center 5888 is at -1.083731 2.498415 4.290884 ESP Fit Center 5889 is at -0.973758 2.087991 4.290884 ESP Fit Center 5890 is at -0.673307 1.787540 4.290884 ESP Fit Center 5891 is at -0.262883 1.677567 4.290884 ESP Fit Center 5892 is at 0.147541 1.787540 4.290884 ESP Fit Center 5893 is at 0.447993 2.087991 4.290884 ESP Fit Center 5894 is at 0.337117 3.537646 4.114082 ESP Fit Center 5895 is at -0.054505 3.680184 4.114082 ESP Fit Center 5896 is at -0.471261 3.680184 4.114082 ESP Fit Center 5897 is at -0.862883 3.537646 4.114082 ESP Fit Center 5898 is at -1.182136 3.269760 4.114082 ESP Fit Center 5899 is at -1.390514 2.908839 4.114082 ESP Fit Center 5900 is at -1.462883 2.498415 4.114082 ESP Fit Center 5901 is at -1.390514 2.087991 4.114082 ESP Fit Center 5902 is at -1.182136 1.727070 4.114082 ESP Fit Center 5903 is at -0.862883 1.459185 4.114082 ESP Fit Center 5904 is at -0.471261 1.316646 4.114082 ESP Fit Center 5905 is at -0.054505 1.316646 4.114082 ESP Fit Center 5906 is at 0.337117 1.459185 4.114082 ESP Fit Center 5907 is at 0.050987 4.008839 3.874128 ESP Fit Center 5908 is at -0.368160 4.037509 3.874128 ESP Fit Center 5909 is at -0.779498 3.952032 3.874128 ESP Fit Center 5910 is at -1.152522 3.758747 3.874128 ESP Fit Center 5911 is at -1.459565 3.471988 3.874128 ESP Fit Center 5912 is at -1.677856 3.113025 3.874128 ESP Fit Center 5913 is at -1.791204 2.708478 3.874128 ESP Fit Center 5914 is at -1.791204 2.288352 3.874128 ESP Fit Center 5915 is at -1.677856 1.883806 3.874128 ESP Fit Center 5916 is at -1.459565 1.524842 3.874128 ESP Fit Center 5917 is at -1.152522 1.238084 3.874128 ESP Fit Center 5918 is at -0.779498 1.044798 3.874128 ESP Fit Center 5919 is at -0.368160 0.959321 3.874128 ESP Fit Center 5920 is at 0.050987 0.987992 3.874128 ESP Fit Center 5921 is at -0.369783 4.333811 3.578312 ESP Fit Center 5922 is at -0.790173 4.259685 3.578312 ESP Fit Center 5923 is at -1.182136 4.090609 3.578312 ESP Fit Center 5924 is at -1.524543 3.835696 3.578312 ESP Fit Center 5925 is at -1.798933 3.508691 3.578312 ESP Fit Center 5926 is at -1.990514 3.127221 3.578312 ESP Fit Center 5927 is at -2.088958 2.711853 3.578312 ESP Fit Center 5928 is at -2.088958 2.284978 3.578312 ESP Fit Center 5929 is at -1.990514 1.869609 3.578312 ESP Fit Center 5930 is at -1.798933 1.488139 3.578312 ESP Fit Center 5931 is at -1.524543 1.161134 3.578312 ESP Fit Center 5932 is at -1.182136 0.906222 3.578312 ESP Fit Center 5933 is at -0.790173 0.737145 3.578312 ESP Fit Center 5934 is at -0.369783 0.663019 3.578312 ESP Fit Center 5935 is at -0.783854 4.510526 3.235621 ESP Fit Center 5936 is at -1.178225 4.364467 3.235621 ESP Fit Center 5937 is at -1.535121 4.142012 3.235621 ESP Fit Center 5938 is at -1.839932 3.852267 3.235621 ESP Fit Center 5939 is at -2.080178 3.507096 3.235621 ESP Fit Center 5940 is at -2.246024 3.120630 3.235621 ESP Fit Center 5941 is at -2.330680 2.708690 3.235621 ESP Fit Center 5942 is at -2.330680 2.288141 3.235621 ESP Fit Center 5943 is at -2.246024 1.876201 3.235621 ESP Fit Center 5944 is at -2.080178 1.489734 3.235621 ESP Fit Center 5945 is at -1.839932 1.144563 3.235621 ESP Fit Center 5946 is at -1.535121 0.854819 3.235621 ESP Fit Center 5947 is at -1.178225 0.632363 3.235621 ESP Fit Center 5948 is at -0.783854 0.486305 3.235621 ESP Fit Center 5949 is at -0.368155 0.422622 3.235621 ESP Fit Center 5950 is at -1.000507 4.629640 2.856470 ESP Fit Center 5951 is at -1.390514 4.451530 2.856470 ESP Fit Center 5952 is at -1.739766 4.202829 2.856470 ESP Fit Center 5953 is at -2.035639 3.892526 2.856470 ESP Fit Center 5954 is at -2.267440 3.531836 2.856470 ESP Fit Center 5955 is at -2.426791 3.133796 2.856470 ESP Fit Center 5956 is at -2.507933 2.712791 2.856470 ESP Fit Center 5957 is at -2.507933 2.284039 2.856470 ESP Fit Center 5958 is at -2.426791 1.863034 2.856470 ESP Fit Center 5959 is at -1.564949 4.470961 2.452377 ESP Fit Center 5960 is at -1.896236 4.206769 2.452377 ESP Fit Center 5961 is at -2.175026 3.887668 2.452377 ESP Fit Center 5962 is at -2.392358 3.523916 2.452377 ESP Fit Center 5963 is at -2.541246 3.127203 2.452377 ESP Fit Center 5964 is at -1.805573 4.336922 2.035621 ESP Fit Center 5965 is at -2.101390 4.041105 2.035621 ESP Fit Center 5966 is at -2.341344 3.698415 2.035621 ESP Fit Center 5967 is at -5.051934 0.155819 2.045208 ESP Fit Center 5968 is at -5.124303 -0.254605 2.045208 ESP Fit Center 5969 is at -5.120985 0.718968 1.805254 ESP Fit Center 5970 is at -5.339275 0.360004 1.805254 ESP Fit Center 5971 is at -5.452624 -0.044542 1.805254 ESP Fit Center 5972 is at -5.452624 -0.464668 1.805254 ESP Fit Center 5973 is at -5.339275 -0.869215 1.805254 ESP Fit Center 5974 is at -5.185962 1.082676 1.509438 ESP Fit Center 5975 is at -5.460352 0.755671 1.509438 ESP Fit Center 5976 is at -5.651934 0.374201 1.509438 ESP Fit Center 5977 is at -5.750378 -0.041167 1.509438 ESP Fit Center 5978 is at -5.750378 -0.468043 1.509438 ESP Fit Center 5979 is at -5.651934 -0.883411 1.509438 ESP Fit Center 5980 is at -5.460352 -1.264881 1.509438 ESP Fit Center 5981 is at -5.501352 1.099247 1.166747 ESP Fit Center 5982 is at -5.741598 0.754076 1.166747 ESP Fit Center 5983 is at -5.907444 0.367610 1.166747 ESP Fit Center 5984 is at -5.992100 -0.044331 1.166747 ESP Fit Center 5985 is at -5.992100 -0.464879 1.166747 ESP Fit Center 5986 is at -5.907444 -0.876820 1.166747 ESP Fit Center 5987 is at -5.741598 -1.263286 1.166747 ESP Fit Center 5988 is at -5.501352 -1.608457 1.166747 ESP Fit Center 5989 is at -5.697058 1.139506 0.787596 ESP Fit Center 5990 is at -5.928860 0.778816 0.787596 ESP Fit Center 5991 is at -6.088211 0.380776 0.787596 ESP Fit Center 5992 is at -6.169353 -0.040229 0.787596 ESP Fit Center 5993 is at -6.169353 -0.468981 0.787596 ESP Fit Center 5994 is at -6.088211 -0.889986 0.787596 ESP Fit Center 5995 is at -5.928860 -1.288026 0.787596 ESP Fit Center 5996 is at -5.697058 -1.648716 0.787596 ESP Fit Center 5997 is at -5.557656 1.453749 0.383503 ESP Fit Center 5998 is at -5.836445 1.134648 0.383503 ESP Fit Center 5999 is at -6.053777 0.770896 0.383503 ESP Fit Center 6000 is at -6.202666 0.374183 0.383503 ESP Fit Center 6001 is at -6.278326 -0.042739 0.383503 ESP Fit Center 6002 is at -6.278326 -0.466471 0.383503 ESP Fit Center 6003 is at -6.202666 -0.883393 0.383503 ESP Fit Center 6004 is at -6.053777 -1.280106 0.383503 ESP Fit Center 6005 is at -5.836445 -1.643858 0.383503 ESP Fit Center 6006 is at -5.762809 1.288085 -0.033253 ESP Fit Center 6007 is at -6.002764 0.945395 -0.033253 ESP Fit Center 6008 is at -6.179565 0.566243 -0.033253 ESP Fit Center 6009 is at -6.287841 0.162151 -0.033253 ESP Fit Center 6010 is at -6.324303 -0.254605 -0.033253 ESP Fit Center 6011 is at -6.287841 -0.671361 -0.033253 ESP Fit Center 6012 is at -6.179565 -1.075453 -0.033253 ESP Fit Center 6013 is at -6.002764 -1.454605 -0.033253 ESP Fit Center 6014 is at -5.836445 1.134648 -0.450008 ESP Fit Center 6015 is at -6.053777 0.770896 -0.450008 ESP Fit Center 6016 is at -6.202666 0.374183 -0.450008 ESP Fit Center 6017 is at -6.278326 -0.042739 -0.450008 ESP Fit Center 6018 is at -6.278326 -0.466471 -0.450008 ESP Fit Center 6019 is at -6.202666 -0.883393 -0.450008 ESP Fit Center 6020 is at -6.053777 -1.280106 -0.450008 ESP Fit Center 6021 is at -5.836445 -1.643858 -0.450008 ESP Fit Center 6022 is at -5.697058 1.139506 -0.854101 ESP Fit Center 6023 is at -5.928860 0.778816 -0.854101 ESP Fit Center 6024 is at -6.088211 0.380776 -0.854101 ESP Fit Center 6025 is at -6.169353 -0.040229 -0.854101 ESP Fit Center 6026 is at -6.169353 -0.468981 -0.854101 ESP Fit Center 6027 is at -6.088211 -0.889986 -0.854101 ESP Fit Center 6028 is at -5.928860 -1.288026 -0.854101 ESP Fit Center 6029 is at -5.697058 -1.648716 -0.854101 ESP Fit Center 6030 is at -5.501352 1.099247 -1.233253 ESP Fit Center 6031 is at -5.741598 0.754076 -1.233253 ESP Fit Center 6032 is at -5.907444 0.367610 -1.233253 ESP Fit Center 6033 is at -5.992100 -0.044331 -1.233253 ESP Fit Center 6034 is at -5.992100 -0.464879 -1.233253 ESP Fit Center 6035 is at -5.907444 -0.876820 -1.233253 ESP Fit Center 6036 is at -5.741598 -1.263286 -1.233253 ESP Fit Center 6037 is at -5.501352 -1.608457 -1.233253 ESP Fit Center 6038 is at -5.185962 1.082676 -1.575943 ESP Fit Center 6039 is at -5.460352 0.755671 -1.575943 ESP Fit Center 6040 is at -5.651934 0.374201 -1.575943 ESP Fit Center 6041 is at -5.750378 -0.041167 -1.575943 ESP Fit Center 6042 is at -5.750378 -0.468043 -1.575943 ESP Fit Center 6043 is at -5.651934 -0.883411 -1.575943 ESP Fit Center 6044 is at -5.460352 -1.264881 -1.575943 ESP Fit Center 6045 is at -5.185962 -1.591886 -1.575943 ESP Fit Center 6046 is at -5.120985 0.718968 -1.871759 ESP Fit Center 6047 is at -5.339275 0.360004 -1.871759 ESP Fit Center 6048 is at -5.452624 -0.044542 -1.871759 ESP Fit Center 6049 is at -5.452624 -0.464668 -1.871759 ESP Fit Center 6050 is at -5.339275 -0.869215 -1.871759 ESP Fit Center 6051 is at -5.120985 -1.228178 -1.871759 ESP Fit Center 6052 is at -5.051934 0.155819 -2.111714 ESP Fit Center 6053 is at -5.124303 -0.254605 -2.111714 ESP Fit Center 6054 is at 1.920080 -0.682169 3.981287 ESP Fit Center 6055 is at 2.336103 -0.682169 3.959484 ESP Fit Center 6056 is at 2.128091 -0.321882 3.959484 ESP Fit Center 6057 is at 1.712068 -0.321882 3.959484 ESP Fit Center 6058 is at 1.504056 -0.682169 3.959484 ESP Fit Center 6059 is at 1.712068 -1.042456 3.959484 ESP Fit Center 6060 is at 2.128091 -1.042456 3.959484 ESP Fit Center 6061 is at 2.747568 -0.682169 3.894314 ESP Fit Center 6062 is at 2.636706 -0.268425 3.894314 ESP Fit Center 6063 is at 2.333824 0.034457 3.894314 ESP Fit Center 6064 is at 1.920080 0.145320 3.894314 ESP Fit Center 6065 is at 1.506335 0.034457 3.894314 ESP Fit Center 6066 is at 1.203454 -0.268425 3.894314 ESP Fit Center 6067 is at 1.092591 -0.682169 3.894314 ESP Fit Center 6068 is at 1.203454 -1.095913 3.894314 ESP Fit Center 6069 is at 1.506335 -1.398795 3.894314 ESP Fit Center 6070 is at 1.920080 -1.509657 3.894314 ESP Fit Center 6071 is at 2.333824 -1.398795 3.894314 ESP Fit Center 6072 is at 2.636706 -1.095913 3.894314 ESP Fit Center 6073 is at 3.149967 -0.682169 3.786492 ESP Fit Center 6074 is at 3.075796 -0.261523 3.786492 ESP Fit Center 6075 is at 2.862228 0.108388 3.786492 ESP Fit Center 6076 is at 2.535024 0.382945 3.786492 ESP Fit Center 6077 is at 2.133647 0.529034 3.786492 ESP Fit Center 6078 is at 1.706512 0.529034 3.786492 ESP Fit Center 6079 is at 1.305136 0.382945 3.786492 ESP Fit Center 6080 is at 0.977931 0.108388 3.786492 ESP Fit Center 6081 is at 0.764363 -0.261523 3.786492 ESP Fit Center 6082 is at 0.690192 -0.682169 3.786492 ESP Fit Center 6083 is at 0.764363 -1.102815 3.786492 ESP Fit Center 6084 is at 0.977931 -1.472725 3.786492 ESP Fit Center 6085 is at 1.305136 -1.747283 3.786492 ESP Fit Center 6086 is at 1.706512 -1.893372 3.786492 ESP Fit Center 6087 is at 2.133647 -1.893372 3.786492 ESP Fit Center 6088 is at 2.535024 -1.747283 3.786492 ESP Fit Center 6089 is at 2.862228 -1.472725 3.786492 ESP Fit Center 6090 is at 3.075796 -1.102815 3.786492 ESP Fit Center 6091 is at 3.538892 -0.682169 3.637198 ESP Fit Center 6092 is at 3.483732 -0.263190 3.637198 ESP Fit Center 6093 is at 3.322012 0.127237 3.637198 ESP Fit Center 6094 is at 3.064753 0.462504 3.637198 ESP Fit Center 6095 is at 2.729486 0.719763 3.637198 ESP Fit Center 6096 is at 2.339059 0.881483 3.637198 ESP Fit Center 6097 is at 0.775407 0.462504 3.637198 ESP Fit Center 6098 is at 0.518148 0.127237 3.637198 ESP Fit Center 6099 is at 0.356428 -0.263190 3.637198 ESP Fit Center 6100 is at 0.301268 -0.682169 3.637198 ESP Fit Center 6101 is at 0.356428 -1.101148 3.637198 ESP Fit Center 6102 is at 0.518148 -1.491575 3.637198 ESP Fit Center 6103 is at 0.775407 -1.826842 3.637198 ESP Fit Center 6104 is at 1.110674 -2.084101 3.637198 ESP Fit Center 6105 is at 1.501100 -2.245821 3.637198 ESP Fit Center 6106 is at 1.920080 -2.300981 3.637198 ESP Fit Center 6107 is at 2.339059 -2.245821 3.637198 ESP Fit Center 6108 is at 2.729486 -2.084101 3.637198 ESP Fit Center 6109 is at 3.064753 -1.826842 3.637198 ESP Fit Center 6110 is at 3.322012 -1.491575 3.637198 ESP Fit Center 6111 is at 3.483732 -1.101148 3.637198 ESP Fit Center 6112 is at 3.910080 -0.682169 3.448068 ESP Fit Center 6113 is at 3.866593 -0.268425 3.448068 ESP Fit Center 6114 is at 3.738035 0.127237 3.448068 ESP Fit Center 6115 is at 3.530024 0.487524 3.448068 ESP Fit Center 6116 is at 3.251650 0.796689 3.448068 ESP Fit Center 6117 is at 2.915080 1.041222 3.448068 ESP Fit Center 6118 is at 0.102124 0.127237 3.448068 ESP Fit Center 6119 is at -0.026434 -0.268425 3.448068 ESP Fit Center 6120 is at -0.069920 -0.682169 3.448068 ESP Fit Center 6121 is at -0.026434 -1.095913 3.448068 ESP Fit Center 6122 is at 0.102124 -1.491575 3.448068 ESP Fit Center 6123 is at 0.310136 -1.851862 3.448068 ESP Fit Center 6124 is at 0.588510 -2.161027 3.448068 ESP Fit Center 6125 is at 0.925080 -2.405559 3.448068 ESP Fit Center 6126 is at 1.305136 -2.574771 3.448068 ESP Fit Center 6127 is at 1.712068 -2.661267 3.448068 ESP Fit Center 6128 is at 2.128091 -2.661267 3.448068 ESP Fit Center 6129 is at 2.535024 -2.574771 3.448068 ESP Fit Center 6130 is at 2.915080 -2.405559 3.448068 ESP Fit Center 6131 is at 3.251650 -2.161027 3.448068 ESP Fit Center 6132 is at 3.530024 -1.851862 3.448068 ESP Fit Center 6133 is at 3.738035 -1.491575 3.448068 ESP Fit Center 6134 is at 3.866593 -1.095913 3.448068 ESP Fit Center 6135 is at 4.259465 -0.682169 3.221174 ESP Fit Center 6136 is at 4.221870 -0.264456 3.221174 ESP Fit Center 6137 is at 4.110294 0.139832 3.221174 ESP Fit Center 6138 is at 3.928322 0.517700 3.221174 ESP Fit Center 6139 is at 3.681804 0.857003 3.221174 ESP Fit Center 6140 is at 3.378663 1.146836 3.221174 ESP Fit Center 6141 is at 3.028641 1.377883 3.221174 ESP Fit Center 6142 is at -0.187634 0.332852 3.221174 ESP Fit Center 6143 is at -0.335001 -0.059806 3.221174 ESP Fit Center 6144 is at -0.409888 -0.472468 3.221174 ESP Fit Center 6145 is at -0.409888 -0.891870 3.221174 ESP Fit Center 6146 is at -0.335001 -1.304532 3.221174 ESP Fit Center 6147 is at -0.187634 -1.697190 3.221174 ESP Fit Center 6148 is at 0.027477 -2.057225 3.221174 ESP Fit Center 6149 is at 0.303418 -2.373065 3.221174 ESP Fit Center 6150 is at 0.631319 -2.634557 3.221174 ESP Fit Center 6151 is at 1.000643 -2.833299 3.221174 ESP Fit Center 6152 is at 1.399518 -2.962901 3.221174 ESP Fit Center 6153 is at 1.815124 -3.019199 3.221174 ESP Fit Center 6154 is at 2.234103 -3.000382 3.221174 ESP Fit Center 6155 is at 2.642990 -2.907057 3.221174 ESP Fit Center 6156 is at 3.028641 -2.742221 3.221174 ESP Fit Center 6157 is at 3.378663 -2.511174 3.221174 ESP Fit Center 6158 is at 3.681804 -2.221341 3.221174 ESP Fit Center 6159 is at 3.928322 -1.882038 3.221174 ESP Fit Center 6160 is at 4.110294 -1.504170 3.221174 ESP Fit Center 6161 is at 4.221870 -1.099882 3.221174 ESP Fit Center 6162 is at 4.583220 -0.682169 2.959003 ESP Fit Center 6163 is at 4.550432 -0.265562 2.959003 ESP Fit Center 6164 is at 4.452876 0.140787 2.959003 ESP Fit Center 6165 is at 4.292955 0.526871 2.959003 ESP Fit Center 6166 is at 4.074605 0.883185 2.959003 ESP Fit Center 6167 is at 3.803204 1.200955 2.959003 ESP Fit Center 6168 is at 3.485434 1.472356 2.959003 ESP Fit Center 6169 is at -0.612717 0.140787 2.959003 ESP Fit Center 6170 is at -0.710272 -0.265562 2.959003 ESP Fit Center 6171 is at -0.743060 -0.682169 2.959003 ESP Fit Center 6172 is at -0.234446 -2.247523 2.959003 ESP Fit Center 6173 is at 0.036955 -2.565293 2.959003 ESP Fit Center 6174 is at 0.354725 -2.836694 2.959003 ESP Fit Center 6175 is at 0.711040 -3.055044 2.959003 ESP Fit Center 6176 is at 1.097124 -3.214965 2.959003 ESP Fit Center 6177 is at 1.503473 -3.312521 2.959003 ESP Fit Center 6178 is at 1.920080 -3.345309 2.959003 ESP Fit Center 6179 is at 2.336687 -3.312521 2.959003 ESP Fit Center 6180 is at 2.743035 -3.214965 2.959003 ESP Fit Center 6181 is at 3.129120 -3.055044 2.959003 ESP Fit Center 6182 is at 3.485434 -2.836694 2.959003 ESP Fit Center 6183 is at 3.803204 -2.565293 2.959003 ESP Fit Center 6184 is at 4.074605 -2.247523 2.959003 ESP Fit Center 6185 is at 4.292955 -1.891209 2.959003 ESP Fit Center 6186 is at 4.452876 -1.505124 2.959003 ESP Fit Center 6187 is at 4.550432 -1.098776 2.959003 ESP Fit Center 6188 is at 4.877796 -0.682169 2.664427 ESP Fit Center 6189 is at 4.849012 -0.270534 2.664427 ESP Fit Center 6190 is at 4.763219 0.133088 2.664427 ESP Fit Center 6191 is at 4.622088 0.520843 2.664427 ESP Fit Center 6192 is at 4.428365 0.885182 2.664427 ESP Fit Center 6193 is at 4.185822 1.219015 2.664427 ESP Fit Center 6194 is at 3.899178 1.515843 2.664427 ESP Fit Center 6195 is at 3.574014 1.769889 2.664427 ESP Fit Center 6196 is at 0.099128 -3.012881 2.664427 ESP Fit Center 6197 is at 0.441222 -3.243626 2.664427 ESP Fit Center 6198 is at 0.812100 -3.424516 2.664427 ESP Fit Center 6199 is at 1.204543 -3.552028 2.664427 ESP Fit Center 6200 is at 1.610914 -3.623683 2.664427 ESP Fit Center 6201 is at 2.023303 -3.638084 2.664427 ESP Fit Center 6202 is at 2.433682 -3.594951 2.664427 ESP Fit Center 6203 is at 2.834064 -3.495124 2.664427 ESP Fit Center 6204 is at 3.216657 -3.340547 2.664427 ESP Fit Center 6205 is at 3.574014 -3.134227 2.664427 ESP Fit Center 6206 is at 3.899178 -2.880181 2.664427 ESP Fit Center 6207 is at 4.185822 -2.583352 2.664427 ESP Fit Center 6208 is at 4.428365 -2.249520 2.664427 ESP Fit Center 6209 is at 4.622088 -1.885181 2.664427 ESP Fit Center 6210 is at 4.763219 -1.497426 2.664427 ESP Fit Center 6211 is at 4.849012 -1.093803 2.664427 ESP Fit Center 6212 is at 5.139967 -0.682169 2.340672 ESP Fit Center 6213 is at 5.113532 -0.270419 2.340672 ESP Fit Center 6214 is at 5.034660 0.134570 2.340672 ESP Fit Center 6215 is at 4.904648 0.526149 2.340672 ESP Fit Center 6216 is at 4.725628 0.897886 2.340672 ESP Fit Center 6217 is at 4.500542 1.243680 2.340672 ESP Fit Center 6218 is at 4.233084 1.557851 2.340672 ESP Fit Center 6219 is at 3.927647 1.835241 2.340672 ESP Fit Center 6220 is at 3.589246 2.071295 2.340672 ESP Fit Center 6221 is at 0.077928 -3.323031 2.340672 ESP Fit Center 6222 is at 0.430758 -3.536919 2.340672 ESP Fit Center 6223 is at 0.808043 -3.703932 2.340672 ESP Fit Center 6224 is at 1.203587 -3.821327 2.340672 ESP Fit Center 6225 is at 1.610896 -3.887178 2.340672 ESP Fit Center 6226 is at 2.023282 -3.900402 2.340672 ESP Fit Center 6227 is at 2.433973 -3.860783 2.340672 ESP Fit Center 6228 is at 2.836227 -3.768972 2.340672 ESP Fit Center 6229 is at 3.223437 -3.626475 2.340672 ESP Fit Center 6230 is at 3.589246 -3.435633 2.340672 ESP Fit Center 6231 is at 3.927647 -3.199578 2.340672 ESP Fit Center 6232 is at 4.233084 -2.922189 2.340672 ESP Fit Center 6233 is at 4.500542 -2.608018 2.340672 ESP Fit Center 6234 is at 4.725628 -2.262224 2.340672 ESP Fit Center 6235 is at 4.904648 -1.890486 2.340672 ESP Fit Center 6236 is at 5.034660 -1.498908 2.340672 ESP Fit Center 6237 is at 5.113532 -1.093919 2.340672 ESP Fit Center 6238 is at 5.366861 -0.682169 1.991287 ESP Fit Center 6239 is at 5.341730 -0.266705 1.991287 ESP Fit Center 6240 is at 5.266704 0.142700 1.991287 ESP Fit Center 6241 is at 5.142876 0.540077 1.991287 ESP Fit Center 6242 is at 4.972053 0.919630 1.991287 ESP Fit Center 6243 is at 4.756725 1.275826 1.991287 ESP Fit Center 6244 is at 4.500032 1.603470 1.991287 ESP Fit Center 6245 is at 4.205718 1.897784 1.991287 ESP Fit Center 6246 is at 3.878075 2.154476 1.991287 ESP Fit Center 6247 is at 0.697834 -3.904965 1.991287 ESP Fit Center 6248 is at 1.095211 -4.028793 1.991287 ESP Fit Center 6249 is at 1.504616 -4.103819 1.991287 ESP Fit Center 6250 is at 1.920080 -4.128950 1.991287 ESP Fit Center 6251 is at 2.335543 -4.103819 1.991287 ESP Fit Center 6252 is at 2.744948 -4.028793 1.991287 ESP Fit Center 6253 is at 3.142325 -3.904965 1.991287 ESP Fit Center 6254 is at 3.521879 -3.734142 1.991287 ESP Fit Center 6255 is at 3.878075 -3.518814 1.991287 ESP Fit Center 6256 is at 4.205718 -3.262122 1.991287 ESP Fit Center 6257 is at 4.500032 -2.967808 1.991287 ESP Fit Center 6258 is at 4.756725 -2.640164 1.991287 ESP Fit Center 6259 is at 4.972053 -2.283968 1.991287 ESP Fit Center 6260 is at 5.142876 -1.904414 1.991287 ESP Fit Center 6261 is at 5.266704 -1.507038 1.991287 ESP Fit Center 6262 is at 5.341730 -1.097632 1.991287 ESP Fit Center 6263 is at 5.555991 -0.682169 1.620099 ESP Fit Center 6264 is at 5.532291 -0.267706 1.620099 ESP Fit Center 6265 is at 5.461500 0.141353 1.620099 ESP Fit Center 6266 is at 5.344542 0.539677 1.620099 ESP Fit Center 6267 is at 5.182940 0.922072 1.620099 ESP Fit Center 6268 is at 4.978803 1.283553 1.620099 ESP Fit Center 6269 is at 4.734790 1.619408 1.620099 ESP Fit Center 6270 is at 4.454083 1.925258 1.620099 ESP Fit Center 6271 is at 4.140341 2.197117 1.620099 ESP Fit Center 6272 is at 3.797655 2.431440 1.620099 ESP Fit Center 6273 is at 0.995764 -4.198629 1.620099 ESP Fit Center 6274 is at 1.402636 -4.281071 1.620099 ESP Fit Center 6275 is at 1.816252 -4.316597 1.620099 ESP Fit Center 6276 is at 2.231223 -4.304742 1.620099 ESP Fit Center 6277 is at 2.642137 -4.245662 1.620099 ESP Fit Center 6278 is at 3.043638 -4.140126 1.620099 ESP Fit Center 6279 is at 3.430492 -3.989510 1.620099 ESP Fit Center 6280 is at 3.797655 -3.795778 1.620099 ESP Fit Center 6281 is at 4.140341 -3.561455 1.620099 ESP Fit Center 6282 is at 4.454083 -3.289596 1.620099 ESP Fit Center 6283 is at 4.734790 -2.983746 1.620099 ESP Fit Center 6284 is at 4.978803 -2.647891 1.620099 ESP Fit Center 6285 is at 5.182940 -2.286410 1.620099 ESP Fit Center 6286 is at 5.344542 -1.904015 1.620099 ESP Fit Center 6287 is at 5.461500 -1.505691 1.620099 ESP Fit Center 6288 is at 5.532291 -1.096632 1.620099 ESP Fit Center 6289 is at 5.705285 -0.682169 1.231174 ESP Fit Center 6290 is at 5.683096 -0.272916 1.231174 ESP Fit Center 6291 is at 5.616789 0.131538 1.231174 ESP Fit Center 6292 is at 5.507141 0.526453 1.231174 ESP Fit Center 6293 is at 5.355439 0.907197 1.231174 ESP Fit Center 6294 is at 5.163460 1.269308 1.231174 ESP Fit Center 6295 is at 4.933455 1.608540 1.231174 ESP Fit Center 6296 is at 4.668121 1.920914 1.231174 ESP Fit Center 6297 is at 4.370569 2.202771 1.231174 ESP Fit Center 6298 is at 4.044288 2.450804 1.231174 ESP Fit Center 6299 is at 3.693102 2.662105 1.231174 ESP Fit Center 6300 is at 0.907430 -4.329403 1.231174 ESP Fit Center 6301 is at 1.307702 -4.417510 1.231174 ESP Fit Center 6302 is at 1.715153 -4.461823 1.231174 ESP Fit Center 6303 is at 2.125007 -4.461823 1.231174 ESP Fit Center 6304 is at 2.532458 -4.417510 1.231174 ESP Fit Center 6305 is at 2.932729 -4.329403 1.231174 ESP Fit Center 6306 is at 3.321128 -4.198536 1.231174 ESP Fit Center 6307 is at 3.693102 -4.026443 1.231174 ESP Fit Center 6308 is at 4.044288 -3.815141 1.231174 ESP Fit Center 6309 is at 4.370569 -3.567108 1.231174 ESP Fit Center 6310 is at 4.668121 -3.285252 1.231174 ESP Fit Center 6311 is at 4.933455 -2.972877 1.231174 ESP Fit Center 6312 is at 5.163460 -2.633646 1.231174 ESP Fit Center 6313 is at 5.355439 -2.271535 1.231174 ESP Fit Center 6314 is at 5.507141 -1.890791 1.231174 ESP Fit Center 6315 is at 5.616789 -1.495876 1.231174 ESP Fit Center 6316 is at 5.683096 -1.091422 1.231174 ESP Fit Center 6317 is at 5.813107 -0.682169 0.828775 ESP Fit Center 6318 is at 5.791052 -0.268365 0.828775 ESP Fit Center 6319 is at 5.725138 0.140749 0.828775 ESP Fit Center 6320 is at 5.616111 0.540540 0.828775 ESP Fit Center 6321 is at 5.465206 0.926477 0.828775 ESP Fit Center 6322 is at 5.274133 1.294188 0.828775 ESP Fit Center 6323 is at 5.045058 1.639506 0.828775 ESP Fit Center 6324 is at 4.780576 1.958518 0.828775 ESP Fit Center 6325 is at 4.483683 2.247610 0.828775 ESP Fit Center 6326 is at 4.157743 2.503506 0.828775 ESP Fit Center 6327 is at 3.806450 2.723308 0.828775 ESP Fit Center 6328 is at 0.996160 -4.463972 0.828775 ESP Fit Center 6329 is at 1.403376 -4.540754 0.828775 ESP Fit Center 6330 is at 1.816445 -4.573817 0.828775 ESP Fit Center 6331 is at 2.230689 -4.562785 0.828775 ESP Fit Center 6332 is at 2.641414 -4.507785 0.828775 ESP Fit Center 6333 is at 3.043965 -4.409439 0.828775 ESP Fit Center 6334 is at 3.433783 -4.268862 0.828775 ESP Fit Center 6335 is at 3.806450 -4.087646 0.828775 ESP Fit Center 6336 is at 4.157743 -3.867844 0.828775 ESP Fit Center 6337 is at 4.483683 -3.611948 0.828775 ESP Fit Center 6338 is at 4.780576 -3.322856 0.828775 ESP Fit Center 6339 is at 5.045058 -3.003843 0.828775 ESP Fit Center 6340 is at 5.274133 -2.658526 0.828775 ESP Fit Center 6341 is at 5.465206 -2.290815 0.828775 ESP Fit Center 6342 is at 5.616111 -1.904878 0.828775 ESP Fit Center 6343 is at 5.725138 -1.505087 0.828775 ESP Fit Center 6344 is at 5.791052 -1.095972 0.828775 ESP Fit Center 6345 is at 5.878277 -0.682169 0.417310 ESP Fit Center 6346 is at 5.856593 -0.268425 0.417310 ESP Fit Center 6347 is at 5.791781 0.140787 0.417310 ESP Fit Center 6348 is at 5.684549 0.540981 0.417310 ESP Fit Center 6349 is at 5.536073 0.927775 0.417310 ESP Fit Center 6350 is at 5.347979 1.296930 0.417310 ESP Fit Center 6351 is at 5.122328 1.644401 0.417310 ESP Fit Center 6352 is at 4.861593 1.966382 0.417310 ESP Fit Center 6353 is at 4.568631 2.259345 0.417310 ESP Fit Center 6354 is at 4.246650 2.520080 0.417310 ESP Fit Center 6355 is at 3.899178 2.745730 0.417310 ESP Fit Center 6356 is at 3.530024 2.933824 0.417310 ESP Fit Center 6357 is at 1.097124 -4.553870 0.417310 ESP Fit Center 6358 is at 1.506335 -4.618683 0.417310 ESP Fit Center 6359 is at 1.920080 -4.640366 0.417310 ESP Fit Center 6360 is at 2.333824 -4.618683 0.417310 ESP Fit Center 6361 is at 2.743035 -4.553870 0.417310 ESP Fit Center 6362 is at 3.143230 -4.446638 0.417310 ESP Fit Center 6363 is at 3.530024 -4.298162 0.417310 ESP Fit Center 6364 is at 3.899178 -4.110068 0.417310 ESP Fit Center 6365 is at 4.246650 -3.884418 0.417310 ESP Fit Center 6366 is at 4.568631 -3.623683 0.417310 ESP Fit Center 6367 is at 4.861593 -3.330720 0.417310 ESP Fit Center 6368 is at 5.122328 -3.008739 0.417310 ESP Fit Center 6369 is at 5.347979 -2.661267 0.417310 ESP Fit Center 6370 is at 5.536073 -2.292113 0.417310 ESP Fit Center 6371 is at 5.684549 -1.905319 0.417310 ESP Fit Center 6372 is at 5.791781 -1.505124 0.417310 ESP Fit Center 6373 is at 5.856593 -1.095913 0.417310 ESP Fit Center 6374 is at 5.900080 -0.682169 0.001287 ESP Fit Center 6375 is at 5.878985 -0.272941 0.001287 ESP Fit Center 6376 is at 5.815925 0.131948 0.001287 ESP Fit Center 6377 is at 5.711569 0.528208 0.001287 ESP Fit Center 6378 is at 5.567021 0.911638 0.001287 ESP Fit Center 6379 is at 5.383815 1.278172 0.001287 ESP Fit Center 6380 is at 5.163892 1.623927 0.001287 ESP Fit Center 6381 is at 4.909585 1.945237 0.001287 ESP Fit Center 6382 is at 4.623588 2.238695 0.001287 ESP Fit Center 6383 is at 4.308933 2.501191 0.001287 ESP Fit Center 6384 is at 3.968955 2.729943 0.001287 ESP Fit Center 6385 is at 3.607259 2.922526 0.001287 ESP Fit Center 6386 is at 1.206542 -4.597685 0.001287 ESP Fit Center 6387 is at 1.612921 -4.650299 0.001287 ESP Fit Center 6388 is at 2.022556 -4.660849 0.001287 ESP Fit Center 6389 is at 2.431105 -4.629225 0.001287 ESP Fit Center 6390 is at 2.834237 -4.555761 0.001287 ESP Fit Center 6391 is at 3.227678 -4.441236 0.001287 ESP Fit Center 6392 is at 3.607259 -4.286864 0.001287 ESP Fit Center 6393 is at 3.968955 -4.094281 0.001287 ESP Fit Center 6394 is at 4.308933 -3.865529 0.001287 ESP Fit Center 6395 is at 4.623588 -3.603033 0.001287 ESP Fit Center 6396 is at 4.909585 -3.309574 0.001287 ESP Fit Center 6397 is at 5.163892 -2.988265 0.001287 ESP Fit Center 6398 is at 5.383815 -2.642510 0.001287 ESP Fit Center 6399 is at 5.567021 -2.275975 0.001287 ESP Fit Center 6400 is at 5.711569 -1.892546 0.001287 ESP Fit Center 6401 is at 5.815925 -1.496286 0.001287 ESP Fit Center 6402 is at 5.878985 -1.091396 0.001287 ESP Fit Center 6403 is at 5.878277 -0.682169 -0.414736 ESP Fit Center 6404 is at 5.856593 -0.268425 -0.414736 ESP Fit Center 6405 is at 5.791781 0.140787 -0.414736 ESP Fit Center 6406 is at 5.684549 0.540981 -0.414736 ESP Fit Center 6407 is at 5.536073 0.927775 -0.414736 ESP Fit Center 6408 is at 5.347979 1.296930 -0.414736 ESP Fit Center 6409 is at 5.122328 1.644401 -0.414736 ESP Fit Center 6410 is at 4.861593 1.966382 -0.414736 ESP Fit Center 6411 is at 4.568631 2.259345 -0.414736 ESP Fit Center 6412 is at 4.246650 2.520080 -0.414736 ESP Fit Center 6413 is at 3.899178 2.745730 -0.414736 ESP Fit Center 6414 is at 3.530024 2.933824 -0.414736 ESP Fit Center 6415 is at 1.097124 -4.553870 -0.414736 ESP Fit Center 6416 is at 1.506335 -4.618683 -0.414736 ESP Fit Center 6417 is at 1.920080 -4.640366 -0.414736 ESP Fit Center 6418 is at 2.333824 -4.618683 -0.414736 ESP Fit Center 6419 is at 2.743035 -4.553870 -0.414736 ESP Fit Center 6420 is at 3.143230 -4.446638 -0.414736 ESP Fit Center 6421 is at 3.530024 -4.298162 -0.414736 ESP Fit Center 6422 is at 3.899178 -4.110068 -0.414736 ESP Fit Center 6423 is at 4.246650 -3.884418 -0.414736 ESP Fit Center 6424 is at 4.568631 -3.623683 -0.414736 ESP Fit Center 6425 is at 4.861593 -3.330720 -0.414736 ESP Fit Center 6426 is at 5.122328 -3.008739 -0.414736 ESP Fit Center 6427 is at 5.347979 -2.661267 -0.414736 ESP Fit Center 6428 is at 5.536073 -2.292113 -0.414736 ESP Fit Center 6429 is at 5.684549 -1.905319 -0.414736 ESP Fit Center 6430 is at 5.791781 -1.505124 -0.414736 ESP Fit Center 6431 is at 5.856593 -1.095913 -0.414736 ESP Fit Center 6432 is at 5.813107 -0.682169 -0.826202 ESP Fit Center 6433 is at 5.791052 -0.268365 -0.826202 ESP Fit Center 6434 is at 5.725138 0.140749 -0.826202 ESP Fit Center 6435 is at 5.616111 0.540540 -0.826202 ESP Fit Center 6436 is at 5.465206 0.926477 -0.826202 ESP Fit Center 6437 is at 5.274133 1.294188 -0.826202 ESP Fit Center 6438 is at 5.045058 1.639506 -0.826202 ESP Fit Center 6439 is at 4.780576 1.958518 -0.826202 ESP Fit Center 6440 is at 4.483683 2.247610 -0.826202 ESP Fit Center 6441 is at 4.157743 2.503506 -0.826202 ESP Fit Center 6442 is at 3.806450 2.723308 -0.826202 ESP Fit Center 6443 is at 0.996160 -4.463972 -0.826202 ESP Fit Center 6444 is at 1.403376 -4.540754 -0.826202 ESP Fit Center 6445 is at 1.816445 -4.573817 -0.826202 ESP Fit Center 6446 is at 2.230689 -4.562785 -0.826202 ESP Fit Center 6447 is at 2.641414 -4.507785 -0.826202 ESP Fit Center 6448 is at 3.043965 -4.409439 -0.826202 ESP Fit Center 6449 is at 3.433783 -4.268862 -0.826202 ESP Fit Center 6450 is at 3.806450 -4.087646 -0.826202 ESP Fit Center 6451 is at 4.157743 -3.867844 -0.826202 ESP Fit Center 6452 is at 4.483683 -3.611948 -0.826202 ESP Fit Center 6453 is at 4.780576 -3.322856 -0.826202 ESP Fit Center 6454 is at 5.045058 -3.003843 -0.826202 ESP Fit Center 6455 is at 5.274133 -2.658526 -0.826202 ESP Fit Center 6456 is at 5.465206 -2.290815 -0.826202 ESP Fit Center 6457 is at 5.616111 -1.904878 -0.826202 ESP Fit Center 6458 is at 5.725138 -1.505087 -0.826202 ESP Fit Center 6459 is at 5.791052 -1.095972 -0.826202 ESP Fit Center 6460 is at 5.705285 -0.682169 -1.228601 ESP Fit Center 6461 is at 5.683096 -0.272916 -1.228601 ESP Fit Center 6462 is at 5.616789 0.131538 -1.228601 ESP Fit Center 6463 is at 5.507141 0.526453 -1.228601 ESP Fit Center 6464 is at 5.355439 0.907197 -1.228601 ESP Fit Center 6465 is at 5.163460 1.269308 -1.228601 ESP Fit Center 6466 is at 4.933455 1.608540 -1.228601 ESP Fit Center 6467 is at 4.668121 1.920914 -1.228601 ESP Fit Center 6468 is at 4.370569 2.202771 -1.228601 ESP Fit Center 6469 is at 4.044288 2.450804 -1.228601 ESP Fit Center 6470 is at 3.693102 2.662105 -1.228601 ESP Fit Center 6471 is at 0.907430 -4.329403 -1.228601 ESP Fit Center 6472 is at 1.307702 -4.417510 -1.228601 ESP Fit Center 6473 is at 1.715153 -4.461823 -1.228601 ESP Fit Center 6474 is at 2.125007 -4.461823 -1.228601 ESP Fit Center 6475 is at 2.532458 -4.417510 -1.228601 ESP Fit Center 6476 is at 2.932729 -4.329403 -1.228601 ESP Fit Center 6477 is at 3.321128 -4.198536 -1.228601 ESP Fit Center 6478 is at 3.693102 -4.026443 -1.228601 ESP Fit Center 6479 is at 4.044288 -3.815141 -1.228601 ESP Fit Center 6480 is at 4.370569 -3.567108 -1.228601 ESP Fit Center 6481 is at 4.668121 -3.285252 -1.228601 ESP Fit Center 6482 is at 4.933455 -2.972877 -1.228601 ESP Fit Center 6483 is at 5.163460 -2.633646 -1.228601 ESP Fit Center 6484 is at 5.355439 -2.271535 -1.228601 ESP Fit Center 6485 is at 5.507141 -1.890791 -1.228601 ESP Fit Center 6486 is at 5.616789 -1.495876 -1.228601 ESP Fit Center 6487 is at 5.683096 -1.091422 -1.228601 ESP Fit Center 6488 is at 5.555991 -0.682169 -1.617525 ESP Fit Center 6489 is at 5.532291 -0.267706 -1.617525 ESP Fit Center 6490 is at 5.461500 0.141353 -1.617525 ESP Fit Center 6491 is at 5.344542 0.539677 -1.617525 ESP Fit Center 6492 is at 5.182940 0.922072 -1.617525 ESP Fit Center 6493 is at 4.978803 1.283553 -1.617525 ESP Fit Center 6494 is at 4.734790 1.619408 -1.617525 ESP Fit Center 6495 is at 4.454083 1.925258 -1.617525 ESP Fit Center 6496 is at 4.140341 2.197117 -1.617525 ESP Fit Center 6497 is at 3.797655 2.431440 -1.617525 ESP Fit Center 6498 is at 0.600943 -4.070344 -1.617525 ESP Fit Center 6499 is at 0.995764 -4.198629 -1.617525 ESP Fit Center 6500 is at 1.402636 -4.281071 -1.617525 ESP Fit Center 6501 is at 1.816252 -4.316597 -1.617525 ESP Fit Center 6502 is at 2.231223 -4.304742 -1.617525 ESP Fit Center 6503 is at 2.642137 -4.245662 -1.617525 ESP Fit Center 6504 is at 3.043638 -4.140126 -1.617525 ESP Fit Center 6505 is at 3.430492 -3.989510 -1.617525 ESP Fit Center 6506 is at 3.797655 -3.795778 -1.617525 ESP Fit Center 6507 is at 4.140341 -3.561455 -1.617525 ESP Fit Center 6508 is at 4.454083 -3.289596 -1.617525 ESP Fit Center 6509 is at 4.734790 -2.983746 -1.617525 ESP Fit Center 6510 is at 4.978803 -2.647891 -1.617525 ESP Fit Center 6511 is at 5.182940 -2.286410 -1.617525 ESP Fit Center 6512 is at 5.344542 -1.904015 -1.617525 ESP Fit Center 6513 is at 5.461500 -1.505691 -1.617525 ESP Fit Center 6514 is at 5.532291 -1.096632 -1.617525 ESP Fit Center 6515 is at 5.366861 -0.682169 -1.988713 ESP Fit Center 6516 is at 5.341730 -0.266705 -1.988713 ESP Fit Center 6517 is at 5.266704 0.142700 -1.988713 ESP Fit Center 6518 is at 5.142876 0.540077 -1.988713 ESP Fit Center 6519 is at 4.972053 0.919630 -1.988713 ESP Fit Center 6520 is at 4.756725 1.275826 -1.988713 ESP Fit Center 6521 is at 4.500032 1.603470 -1.988713 ESP Fit Center 6522 is at 4.205718 1.897784 -1.988713 ESP Fit Center 6523 is at 3.878075 2.154476 -1.988713 ESP Fit Center 6524 is at 3.521879 2.369804 -1.988713 ESP Fit Center 6525 is at 0.318281 -3.734142 -1.988713 ESP Fit Center 6526 is at 0.697834 -3.904965 -1.988713 ESP Fit Center 6527 is at 1.095211 -4.028793 -1.988713 ESP Fit Center 6528 is at 1.504616 -4.103819 -1.988713 ESP Fit Center 6529 is at 1.920080 -4.128950 -1.988713 ESP Fit Center 6530 is at 2.335543 -4.103819 -1.988713 ESP Fit Center 6531 is at 2.744948 -4.028793 -1.988713 ESP Fit Center 6532 is at 3.142325 -3.904965 -1.988713 ESP Fit Center 6533 is at 3.521879 -3.734142 -1.988713 ESP Fit Center 6534 is at 3.878075 -3.518814 -1.988713 ESP Fit Center 6535 is at 4.205718 -3.262122 -1.988713 ESP Fit Center 6536 is at 4.500032 -2.967808 -1.988713 ESP Fit Center 6537 is at 4.756725 -2.640164 -1.988713 ESP Fit Center 6538 is at 4.972053 -2.283968 -1.988713 ESP Fit Center 6539 is at 5.142876 -1.904414 -1.988713 ESP Fit Center 6540 is at 5.266704 -1.507038 -1.988713 ESP Fit Center 6541 is at 5.341730 -1.097632 -1.988713 ESP Fit Center 6542 is at 5.139967 -0.682169 -2.338099 ESP Fit Center 6543 is at 5.113532 -0.270419 -2.338099 ESP Fit Center 6544 is at 5.034660 0.134570 -2.338099 ESP Fit Center 6545 is at 4.904648 0.526149 -2.338099 ESP Fit Center 6546 is at 4.725628 0.897886 -2.338099 ESP Fit Center 6547 is at 4.500542 1.243680 -2.338099 ESP Fit Center 6548 is at 4.233084 1.557851 -2.338099 ESP Fit Center 6549 is at 3.927647 1.835241 -2.338099 ESP Fit Center 6550 is at 3.589246 2.071295 -2.338099 ESP Fit Center 6551 is at 0.077928 -3.323031 -2.338099 ESP Fit Center 6552 is at 0.430758 -3.536919 -2.338099 ESP Fit Center 6553 is at 0.808043 -3.703932 -2.338099 ESP Fit Center 6554 is at 1.203587 -3.821327 -2.338099 ESP Fit Center 6555 is at 1.610896 -3.887178 -2.338099 ESP Fit Center 6556 is at 2.023282 -3.900402 -2.338099 ESP Fit Center 6557 is at 2.433973 -3.860783 -2.338099 ESP Fit Center 6558 is at 2.836227 -3.768972 -2.338099 ESP Fit Center 6559 is at 3.223437 -3.626475 -2.338099 ESP Fit Center 6560 is at 3.589246 -3.435633 -2.338099 ESP Fit Center 6561 is at 3.927647 -3.199578 -2.338099 ESP Fit Center 6562 is at 4.233084 -2.922189 -2.338099 ESP Fit Center 6563 is at 4.500542 -2.608018 -2.338099 ESP Fit Center 6564 is at 4.725628 -2.262224 -2.338099 ESP Fit Center 6565 is at 4.904648 -1.890486 -2.338099 ESP Fit Center 6566 is at 5.034660 -1.498908 -2.338099 ESP Fit Center 6567 is at 5.113532 -1.093919 -2.338099 ESP Fit Center 6568 is at 4.877796 -0.682169 -2.661853 ESP Fit Center 6569 is at 4.849012 -0.270534 -2.661853 ESP Fit Center 6570 is at 4.763219 0.133088 -2.661853 ESP Fit Center 6571 is at 4.622088 0.520843 -2.661853 ESP Fit Center 6572 is at 4.428365 0.885182 -2.661853 ESP Fit Center 6573 is at 4.185822 1.219015 -2.661853 ESP Fit Center 6574 is at 3.899178 1.515843 -2.661853 ESP Fit Center 6575 is at 3.574014 1.769889 -2.661853 ESP Fit Center 6576 is at 3.216657 1.976209 -2.661853 ESP Fit Center 6577 is at -0.207523 -2.736771 -2.661853 ESP Fit Center 6578 is at 0.099128 -3.012881 -2.661853 ESP Fit Center 6579 is at 0.441222 -3.243626 -2.661853 ESP Fit Center 6580 is at 0.812100 -3.424516 -2.661853 ESP Fit Center 6581 is at 1.204543 -3.552028 -2.661853 ESP Fit Center 6582 is at 1.610914 -3.623683 -2.661853 ESP Fit Center 6583 is at 2.023303 -3.638084 -2.661853 ESP Fit Center 6584 is at 2.433682 -3.594951 -2.661853 ESP Fit Center 6585 is at 2.834064 -3.495124 -2.661853 ESP Fit Center 6586 is at 3.216657 -3.340547 -2.661853 ESP Fit Center 6587 is at 3.574014 -3.134227 -2.661853 ESP Fit Center 6588 is at 3.899178 -2.880181 -2.661853 ESP Fit Center 6589 is at 4.185822 -2.583352 -2.661853 ESP Fit Center 6590 is at 4.428365 -2.249520 -2.661853 ESP Fit Center 6591 is at 4.622088 -1.885181 -2.661853 ESP Fit Center 6592 is at 4.763219 -1.497426 -2.661853 ESP Fit Center 6593 is at 4.849012 -1.093803 -2.661853 ESP Fit Center 6594 is at 4.583220 -0.682169 -2.956430 ESP Fit Center 6595 is at 4.550432 -0.265562 -2.956430 ESP Fit Center 6596 is at 4.452876 0.140787 -2.956430 ESP Fit Center 6597 is at 4.292955 0.526871 -2.956430 ESP Fit Center 6598 is at 4.074605 0.883185 -2.956430 ESP Fit Center 6599 is at 3.803204 1.200955 -2.956430 ESP Fit Center 6600 is at 3.485434 1.472356 -2.956430 ESP Fit Center 6601 is at 3.129120 1.690706 -2.956430 ESP Fit Center 6602 is at -0.710272 -0.265562 -2.956430 ESP Fit Center 6603 is at -0.743060 -0.682169 -2.956430 ESP Fit Center 6604 is at -0.710272 -1.098776 -2.956430 ESP Fit Center 6605 is at -0.612717 -1.505124 -2.956430 ESP Fit Center 6606 is at -0.452795 -1.891209 -2.956430 ESP Fit Center 6607 is at -0.234446 -2.247523 -2.956430 ESP Fit Center 6608 is at 0.036955 -2.565293 -2.956430 ESP Fit Center 6609 is at 0.354725 -2.836694 -2.956430 ESP Fit Center 6610 is at 0.711040 -3.055044 -2.956430 ESP Fit Center 6611 is at 1.097124 -3.214965 -2.956430 ESP Fit Center 6612 is at 1.503473 -3.312521 -2.956430 ESP Fit Center 6613 is at 1.920080 -3.345309 -2.956430 ESP Fit Center 6614 is at 2.336687 -3.312521 -2.956430 ESP Fit Center 6615 is at 2.743035 -3.214965 -2.956430 ESP Fit Center 6616 is at 3.129120 -3.055044 -2.956430 ESP Fit Center 6617 is at 3.485434 -2.836694 -2.956430 ESP Fit Center 6618 is at 3.803204 -2.565293 -2.956430 ESP Fit Center 6619 is at 4.074605 -2.247523 -2.956430 ESP Fit Center 6620 is at 4.292955 -1.891209 -2.956430 ESP Fit Center 6621 is at 4.452876 -1.505124 -2.956430 ESP Fit Center 6622 is at 4.550432 -1.098776 -2.956430 ESP Fit Center 6623 is at 4.259465 -0.682169 -3.218601 ESP Fit Center 6624 is at 4.221870 -0.264456 -3.218601 ESP Fit Center 6625 is at 4.110294 0.139832 -3.218601 ESP Fit Center 6626 is at 3.928322 0.517700 -3.218601 ESP Fit Center 6627 is at 3.681804 0.857003 -3.218601 ESP Fit Center 6628 is at 3.378663 1.146836 -3.218601 ESP Fit Center 6629 is at 3.028641 1.377883 -3.218601 ESP Fit Center 6630 is at 2.642990 1.542719 -3.218601 ESP Fit Center 6631 is at -0.187634 0.332852 -3.218601 ESP Fit Center 6632 is at -0.335001 -0.059806 -3.218601 ESP Fit Center 6633 is at -0.409888 -0.472468 -3.218601 ESP Fit Center 6634 is at -0.409888 -0.891870 -3.218601 ESP Fit Center 6635 is at -0.335001 -1.304532 -3.218601 ESP Fit Center 6636 is at -0.187634 -1.697190 -3.218601 ESP Fit Center 6637 is at 0.027477 -2.057225 -3.218601 ESP Fit Center 6638 is at 0.303418 -2.373065 -3.218601 ESP Fit Center 6639 is at 0.631319 -2.634557 -3.218601 ESP Fit Center 6640 is at 1.000643 -2.833299 -3.218601 ESP Fit Center 6641 is at 1.399518 -2.962901 -3.218601 ESP Fit Center 6642 is at 1.815124 -3.019199 -3.218601 ESP Fit Center 6643 is at 2.234103 -3.000382 -3.218601 ESP Fit Center 6644 is at 2.642990 -2.907057 -3.218601 ESP Fit Center 6645 is at 3.028641 -2.742221 -3.218601 ESP Fit Center 6646 is at 3.378663 -2.511174 -3.218601 ESP Fit Center 6647 is at 3.681804 -2.221341 -3.218601 ESP Fit Center 6648 is at 3.928322 -1.882038 -3.218601 ESP Fit Center 6649 is at 4.110294 -1.504170 -3.218601 ESP Fit Center 6650 is at 4.221870 -1.099882 -3.218601 ESP Fit Center 6651 is at 3.910080 -0.682169 -3.445494 ESP Fit Center 6652 is at 3.866593 -0.268425 -3.445494 ESP Fit Center 6653 is at 3.738035 0.127237 -3.445494 ESP Fit Center 6654 is at 3.530024 0.487524 -3.445494 ESP Fit Center 6655 is at 3.251650 0.796689 -3.445494 ESP Fit Center 6656 is at 2.915080 1.041222 -3.445494 ESP Fit Center 6657 is at 2.535024 1.210434 -3.445494 ESP Fit Center 6658 is at 0.102124 0.127237 -3.445494 ESP Fit Center 6659 is at -0.026434 -0.268425 -3.445494 ESP Fit Center 6660 is at -0.069920 -0.682169 -3.445494 ESP Fit Center 6661 is at -0.026434 -1.095913 -3.445494 ESP Fit Center 6662 is at 0.102124 -1.491575 -3.445494 ESP Fit Center 6663 is at 0.310136 -1.851862 -3.445494 ESP Fit Center 6664 is at 0.588510 -2.161027 -3.445494 ESP Fit Center 6665 is at 0.925080 -2.405559 -3.445494 ESP Fit Center 6666 is at 1.305136 -2.574771 -3.445494 ESP Fit Center 6667 is at 1.712068 -2.661267 -3.445494 ESP Fit Center 6668 is at 2.128091 -2.661267 -3.445494 ESP Fit Center 6669 is at 2.535024 -2.574771 -3.445494 ESP Fit Center 6670 is at 2.915080 -2.405559 -3.445494 ESP Fit Center 6671 is at 3.251650 -2.161027 -3.445494 ESP Fit Center 6672 is at 3.530024 -1.851862 -3.445494 ESP Fit Center 6673 is at 3.738035 -1.491575 -3.445494 ESP Fit Center 6674 is at 3.866593 -1.095913 -3.445494 ESP Fit Center 6675 is at 3.538892 -0.682169 -3.634624 ESP Fit Center 6676 is at 3.483732 -0.263190 -3.634624 ESP Fit Center 6677 is at 3.322012 0.127237 -3.634624 ESP Fit Center 6678 is at 3.064753 0.462504 -3.634624 ESP Fit Center 6679 is at 2.729486 0.719763 -3.634624 ESP Fit Center 6680 is at 2.339059 0.881483 -3.634624 ESP Fit Center 6681 is at 1.920080 0.936643 -3.634624 ESP Fit Center 6682 is at 0.775407 0.462504 -3.634624 ESP Fit Center 6683 is at 0.518148 0.127237 -3.634624 ESP Fit Center 6684 is at 0.356428 -0.263190 -3.634624 ESP Fit Center 6685 is at 0.301268 -0.682169 -3.634624 ESP Fit Center 6686 is at 0.356428 -1.101148 -3.634624 ESP Fit Center 6687 is at 0.518148 -1.491575 -3.634624 ESP Fit Center 6688 is at 0.775407 -1.826842 -3.634624 ESP Fit Center 6689 is at 1.110674 -2.084101 -3.634624 ESP Fit Center 6690 is at 1.501100 -2.245821 -3.634624 ESP Fit Center 6691 is at 1.920080 -2.300981 -3.634624 ESP Fit Center 6692 is at 2.339059 -2.245821 -3.634624 ESP Fit Center 6693 is at 2.729486 -2.084101 -3.634624 ESP Fit Center 6694 is at 3.064753 -1.826842 -3.634624 ESP Fit Center 6695 is at 3.322012 -1.491575 -3.634624 ESP Fit Center 6696 is at 3.483732 -1.101148 -3.634624 ESP Fit Center 6697 is at 3.149967 -0.682169 -3.783918 ESP Fit Center 6698 is at 3.075796 -0.261523 -3.783918 ESP Fit Center 6699 is at 2.862228 0.108388 -3.783918 ESP Fit Center 6700 is at 2.535024 0.382945 -3.783918 ESP Fit Center 6701 is at 2.133647 0.529034 -3.783918 ESP Fit Center 6702 is at 1.706512 0.529034 -3.783918 ESP Fit Center 6703 is at 1.305136 0.382945 -3.783918 ESP Fit Center 6704 is at 0.977931 0.108388 -3.783918 ESP Fit Center 6705 is at 0.764363 -0.261523 -3.783918 ESP Fit Center 6706 is at 0.690192 -0.682169 -3.783918 ESP Fit Center 6707 is at 0.764363 -1.102815 -3.783918 ESP Fit Center 6708 is at 0.977931 -1.472725 -3.783918 ESP Fit Center 6709 is at 1.305136 -1.747283 -3.783918 ESP Fit Center 6710 is at 1.706512 -1.893372 -3.783918 ESP Fit Center 6711 is at 2.133647 -1.893372 -3.783918 ESP Fit Center 6712 is at 2.535024 -1.747283 -3.783918 ESP Fit Center 6713 is at 2.862228 -1.472725 -3.783918 ESP Fit Center 6714 is at 3.075796 -1.102815 -3.783918 ESP Fit Center 6715 is at 2.747568 -0.682169 -3.891741 ESP Fit Center 6716 is at 2.636706 -0.268425 -3.891741 ESP Fit Center 6717 is at 2.333824 0.034457 -3.891741 ESP Fit Center 6718 is at 1.920080 0.145320 -3.891741 ESP Fit Center 6719 is at 1.506335 0.034457 -3.891741 ESP Fit Center 6720 is at 1.203454 -0.268425 -3.891741 ESP Fit Center 6721 is at 1.092591 -0.682169 -3.891741 ESP Fit Center 6722 is at 1.203454 -1.095913 -3.891741 ESP Fit Center 6723 is at 1.506335 -1.398795 -3.891741 ESP Fit Center 6724 is at 1.920080 -1.509657 -3.891741 ESP Fit Center 6725 is at 2.333824 -1.398795 -3.891741 ESP Fit Center 6726 is at 2.636706 -1.095913 -3.891741 ESP Fit Center 6727 is at 2.336103 -0.682169 -3.956910 ESP Fit Center 6728 is at 2.128091 -0.321882 -3.956910 ESP Fit Center 6729 is at 1.712068 -0.321882 -3.956910 ESP Fit Center 6730 is at 1.504056 -0.682169 -3.956910 ESP Fit Center 6731 is at 1.712068 -1.042456 -3.956910 ESP Fit Center 6732 is at 2.128091 -1.042456 -3.956910 ESP Fit Center 6733 is at 1.920080 -0.682169 -3.978713 ESP Fit Center 6734 is at -0.632669 -3.765077 2.169142 ESP Fit Center 6735 is at -0.215914 -3.765077 2.169142 ESP Fit Center 6736 is at 0.175709 -3.622539 2.169142 ESP Fit Center 6737 is at -0.940907 -4.036925 1.929188 ESP Fit Center 6738 is at -0.529568 -4.122402 1.929188 ESP Fit Center 6739 is at -0.110422 -4.093732 1.929188 ESP Fit Center 6740 is at 0.285446 -3.953040 1.929188 ESP Fit Center 6741 is at -1.343545 -4.175502 1.633371 ESP Fit Center 6742 is at -0.951581 -4.344578 1.633371 ESP Fit Center 6743 is at -0.531191 -4.418704 1.633371 ESP Fit Center 6744 is at -0.105038 -4.393884 1.633371 ESP Fit Center 6745 is at 0.303904 -4.271455 1.633371 ESP Fit Center 6746 is at -1.339633 -4.449360 1.290681 ESP Fit Center 6747 is at -0.945263 -4.595419 1.290681 ESP Fit Center 6748 is at -0.529564 -4.659101 1.290681 ESP Fit Center 6749 is at -0.109555 -4.637801 1.290681 ESP Fit Center 6750 is at 0.297569 -4.532389 1.290681 ESP Fit Center 6751 is at 0.675140 -4.347182 1.290681 ESP Fit Center 6752 is at -1.161915 -4.714533 0.911529 ESP Fit Center 6753 is at -0.745249 -4.815615 0.911529 ESP Fit Center 6754 is at -0.316982 -4.836016 0.911529 ESP Fit Center 6755 is at 0.107407 -4.774998 0.911529 ESP Fit Center 6756 is at 0.512578 -4.634767 0.911529 ESP Fit Center 6757 is at 0.883889 -4.420391 0.911529 ESP Fit Center 6758 is at -0.950228 -4.887588 0.507437 ESP Fit Center 6759 is at -0.530331 -4.944467 0.507437 ESP Fit Center 6760 is at -0.107026 -4.925456 0.507437 ESP Fit Center 6761 is at 0.306082 -4.831167 0.507437 ESP Fit Center 6762 is at 0.695716 -4.664630 0.507437 ESP Fit Center 6763 is at -1.245140 -4.838570 0.090681 ESP Fit Center 6764 is at -0.841047 -4.946847 0.090681 ESP Fit Center 6765 is at -0.424291 -4.983308 0.090681 ESP Fit Center 6766 is at -0.007536 -4.946847 0.090681 ESP Fit Center 6767 is at 0.396557 -4.838570 0.090681 ESP Fit Center 6768 is at 0.775709 -4.661769 0.090681 ESP Fit Center 6769 is at -0.950228 -4.887588 -0.326074 ESP Fit Center 6770 is at -0.530331 -4.944467 -0.326074 ESP Fit Center 6771 is at -0.107026 -4.925456 -0.326074 ESP Fit Center 6772 is at 0.306082 -4.831167 -0.326074 ESP Fit Center 6773 is at 0.695716 -4.664630 -0.326074 ESP Fit Center 6774 is at -1.161915 -4.714533 -0.730167 ESP Fit Center 6775 is at -0.745249 -4.815615 -0.730167 ESP Fit Center 6776 is at -0.316982 -4.836016 -0.730167 ESP Fit Center 6777 is at 0.107407 -4.774998 -0.730167 ESP Fit Center 6778 is at 0.512578 -4.634767 -0.730167 ESP Fit Center 6779 is at -1.339633 -4.449360 -1.109319 ESP Fit Center 6780 is at -0.945263 -4.595419 -1.109319 ESP Fit Center 6781 is at -0.529564 -4.659101 -1.109319 ESP Fit Center 6782 is at -0.109555 -4.637801 -1.109319 ESP Fit Center 6783 is at 0.297569 -4.532389 -1.109319 ESP Fit Center 6784 is at 0.675140 -4.347182 -1.109319 ESP Fit Center 6785 is at -0.951581 -4.344578 -1.452009 ESP Fit Center 6786 is at -0.531191 -4.418704 -1.452009 ESP Fit Center 6787 is at -0.105038 -4.393884 -1.452009 ESP Fit Center 6788 is at 0.303904 -4.271455 -1.452009 ESP Fit Center 6789 is at -0.940907 -4.036925 -1.747826 ESP Fit Center 6790 is at -0.529568 -4.122402 -1.747826 ESP Fit Center 6791 is at -0.110422 -4.093732 -1.747826 ESP Fit Center 6792 is at 0.285446 -3.953040 -1.747826 ESP Fit Center 6793 is at -0.215914 -3.765077 -1.987780 ESP Fit Center 6794 is at 1.512021 1.478363 3.897211 ESP Fit Center 6795 is at 2.124492 1.839284 3.788935 ESP Fit Center 6796 is at 1.303644 1.018436 3.788935 ESP Fit Center 6797 is at 1.714068 1.128408 3.788935 ESP Fit Center 6798 is at 2.014519 1.428860 3.788935 ESP Fit Center 6799 is at 2.503644 1.839284 3.612134 ESP Fit Center 6800 is at 2.431275 2.249708 3.612134 ESP Fit Center 6801 is at 2.222897 1.067939 3.612134 ESP Fit Center 6802 is at 2.431275 1.428860 3.612134 ESP Fit Center 6803 is at 2.846334 1.839284 3.372179 ESP Fit Center 6804 is at 2.789127 2.255497 3.372179 ESP Fit Center 6805 is at 2.789127 1.423071 3.372179 ESP Fit Center 6806 is at 3.142150 1.839284 3.076363 ESP Fit Center 6807 is at 3.092593 2.263273 3.076363 ESP Fit Center 6808 is at 2.946593 2.664404 3.076363 ESP Fit Center 6809 is at 3.382104 1.839284 2.733673 ESP Fit Center 6810 is at 3.339558 2.257675 2.733673 ESP Fit Center 6811 is at 3.213661 2.658937 2.733673 ESP Fit Center 6812 is at 3.518150 2.266095 2.354521 ESP Fit Center 6813 is at 3.397357 2.677480 2.354521 ESP Fit Center 6814 is at 3.516471 2.669772 1.950428 ESP Fit Center 6815 is at 3.558906 2.660132 1.533673 ESP Fit Center 6816 is at 0.415764 4.642876 -2.398934 ESP Fit Center 6817 is at -0.004134 4.585997 -2.398934 ESP Fit Center 6818 is at -0.407127 4.455056 -2.398934 ESP Fit Center 6819 is at -0.780263 4.254263 -2.398934 ESP Fit Center 6820 is at 1.458673 4.333176 -2.803027 ESP Fit Center 6821 is at 1.053501 4.473407 -2.803027 ESP Fit Center 6822 is at 0.629113 4.534425 -2.803027 ESP Fit Center 6823 is at 0.200846 4.514024 -2.803027 ESP Fit Center 6824 is at -0.215821 4.412942 -2.803027 ESP Fit Center 6825 is at -0.605828 4.234831 -2.803027 ESP Fit Center 6826 is at -0.955079 3.986131 -2.803027 ESP Fit Center 6827 is at -1.250953 3.675828 -2.803027 ESP Fit Center 6828 is at -1.482754 3.315138 -2.803027 ESP Fit Center 6829 is at -1.642105 2.917098 -2.803027 ESP Fit Center 6830 is at -1.723247 2.496093 -2.803027 ESP Fit Center 6831 is at -1.723247 2.067341 -2.803027 ESP Fit Center 6832 is at 2.227728 3.469076 -3.182179 ESP Fit Center 6833 is at 1.953794 3.788171 -3.182179 ESP Fit Center 6834 is at 1.621234 4.045591 -3.182179 ESP Fit Center 6835 is at 1.243664 4.230798 -3.182179 ESP Fit Center 6836 is at 0.836540 4.336210 -3.182179 ESP Fit Center 6837 is at 0.416531 4.357510 -3.182179 ESP Fit Center 6838 is at 0.000832 4.293828 -3.182179 ESP Fit Center 6839 is at -0.393539 4.147769 -3.182179 ESP Fit Center 6840 is at -0.750435 3.925314 -3.182179 ESP Fit Center 6841 is at -1.055246 3.635569 -3.182179 ESP Fit Center 6842 is at -1.295492 3.290398 -3.182179 ESP Fit Center 6843 is at -1.461338 2.903932 -3.182179 ESP Fit Center 6844 is at -1.545994 2.491991 -3.182179 ESP Fit Center 6845 is at -1.545994 2.071443 -3.182179 ESP Fit Center 6846 is at -1.461338 1.659502 -3.182179 ESP Fit Center 6847 is at -1.295492 1.273036 -3.182179 ESP Fit Center 6848 is at -1.055246 0.927865 -3.182179 ESP Fit Center 6849 is at -0.750435 0.638121 -3.182179 ESP Fit Center 6850 is at -0.393539 0.415665 -3.182179 ESP Fit Center 6851 is at 2.360310 2.281717 -3.524869 ESP Fit Center 6852 is at 2.310753 2.705706 -3.524869 ESP Fit Center 6853 is at 2.164753 3.106837 -3.524869 ESP Fit Center 6854 is at 1.930181 3.463486 -3.524869 ESP Fit Center 6855 is at 1.619683 3.756426 -3.524869 ESP Fit Center 6856 is at 1.249999 3.969863 -3.524869 ESP Fit Center 6857 is at 0.841057 4.092293 -3.524869 ESP Fit Center 6858 is at 0.414904 4.117113 -3.524869 ESP Fit Center 6859 is at -0.005486 4.042987 -3.524869 ESP Fit Center 6860 is at -0.397450 3.873911 -3.524869 ESP Fit Center 6861 is at -0.739857 3.618998 -3.524869 ESP Fit Center 6862 is at -1.014247 3.291993 -3.524869 ESP Fit Center 6863 is at -1.205828 2.910523 -3.524869 ESP Fit Center 6864 is at -1.304272 2.495155 -3.524869 ESP Fit Center 6865 is at -1.304272 2.068279 -3.524869 ESP Fit Center 6866 is at -1.205828 1.652911 -3.524869 ESP Fit Center 6867 is at -1.014247 1.271441 -3.524869 ESP Fit Center 6868 is at -0.739857 0.944436 -3.524869 ESP Fit Center 6869 is at -0.397450 0.689524 -3.524869 ESP Fit Center 6870 is at -0.005486 0.520447 -3.524869 ESP Fit Center 6871 is at 0.414904 0.446321 -3.524869 ESP Fit Center 6872 is at 2.164753 1.456597 -3.524869 ESP Fit Center 6873 is at 2.310753 1.857728 -3.524869 ESP Fit Center 6874 is at 2.064494 2.281717 -3.820685 ESP Fit Center 6875 is at 2.007286 2.697930 -3.820685 ESP Fit Center 6876 is at 1.839908 3.083274 -3.820685 ESP Fit Center 6877 is at 1.574771 3.409171 -3.820685 ESP Fit Center 6878 is at 1.231541 3.651449 -3.820685 ESP Fit Center 6879 is at 0.835673 3.792141 -3.820685 ESP Fit Center 6880 is at 0.416526 3.820811 -3.820685 ESP Fit Center 6881 is at 0.005188 3.735334 -3.820685 ESP Fit Center 6882 is at -0.367836 3.542049 -3.820685 ESP Fit Center 6883 is at -0.674879 3.255290 -3.820685 ESP Fit Center 6884 is at -0.893170 2.896327 -3.820685 ESP Fit Center 6885 is at -1.006518 2.491780 -3.820685 ESP Fit Center 6886 is at -1.006518 2.071654 -3.820685 ESP Fit Center 6887 is at -0.893170 1.667108 -3.820685 ESP Fit Center 6888 is at -0.674879 1.308144 -3.820685 ESP Fit Center 6889 is at -0.367836 1.021386 -3.820685 ESP Fit Center 6890 is at 0.005188 0.828100 -3.820685 ESP Fit Center 6891 is at 0.416526 0.742623 -3.820685 ESP Fit Center 6892 is at 0.835673 0.771294 -3.820685 ESP Fit Center 6893 is at 1.231541 0.911985 -3.820685 ESP Fit Center 6894 is at 1.574771 1.154264 -3.820685 ESP Fit Center 6895 is at 1.839908 1.480160 -3.820685 ESP Fit Center 6896 is at 2.007286 1.865504 -3.820685 ESP Fit Center 6897 is at 1.721803 2.281717 -4.060640 ESP Fit Center 6898 is at 1.649434 2.692141 -4.060640 ESP Fit Center 6899 is at 1.441057 3.053062 -4.060640 ESP Fit Center 6900 is at 1.121803 3.320948 -4.060640 ESP Fit Center 6901 is at 0.730181 3.463486 -4.060640 ESP Fit Center 6902 is at 0.313425 3.463486 -4.060640 ESP Fit Center 6903 is at -0.078197 3.320948 -4.060640 ESP Fit Center 6904 is at -0.397450 3.053062 -4.060640 ESP Fit Center 6905 is at -0.605828 2.692141 -4.060640 ESP Fit Center 6906 is at -0.678197 2.281717 -4.060640 ESP Fit Center 6907 is at -0.605828 1.871293 -4.060640 ESP Fit Center 6908 is at -0.397450 1.510372 -4.060640 ESP Fit Center 6909 is at -0.078197 1.242487 -4.060640 ESP Fit Center 6910 is at 0.313425 1.099948 -4.060640 ESP Fit Center 6911 is at 0.730181 1.099948 -4.060640 ESP Fit Center 6912 is at 1.121803 1.242487 -4.060640 ESP Fit Center 6913 is at 1.441057 1.510372 -4.060640 ESP Fit Center 6914 is at 1.649434 1.871293 -4.060640 ESP Fit Center 6915 is at 1.342652 2.281717 -4.237441 ESP Fit Center 6916 is at 1.232679 2.692141 -4.237441 ESP Fit Center 6917 is at 0.932227 2.992593 -4.237441 ESP Fit Center 6918 is at 0.521803 3.102565 -4.237441 ESP Fit Center 6919 is at 0.111379 2.992593 -4.237441 ESP Fit Center 6920 is at -0.189072 2.692141 -4.237441 ESP Fit Center 6921 is at -0.299045 2.281717 -4.237441 ESP Fit Center 6922 is at -0.189072 1.871293 -4.237441 ESP Fit Center 6923 is at 0.111379 1.570842 -4.237441 ESP Fit Center 6924 is at 0.521803 1.460869 -4.237441 ESP Fit Center 6925 is at 0.932227 1.570842 -4.237441 ESP Fit Center 6926 is at 1.232679 1.871293 -4.237441 ESP Fit Center 6927 is at 0.938559 2.281717 -4.345717 ESP Fit Center 6928 is at 0.730181 2.642638 -4.345717 ESP Fit Center 6929 is at 0.313425 2.642638 -4.345717 ESP Fit Center 6930 is at 0.105048 2.281717 -4.345717 ESP Fit Center 6931 is at 0.313425 1.920796 -4.345717 ESP Fit Center 6932 is at 0.730181 1.920796 -4.345717 ESP Fit Center 6933 is at 0.521803 2.281717 -4.382179 Entering OneElI... OneElI was handed 2147371751 working-precision words. Calculate electrostatic properties NBasis = 110 MinDer = 0 MaxDer = 0 NGrid = 6933 NMatD = 1 Requested accuracy = 0.1000D-05 ShPair: Thresh= 1.00D-06 NBox= 0 BxSize= 0.00D+00 RnKept= 1.20D+01 NSMCal= 741 NSMKep= 624 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 4326192 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 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs PRISM was handed 178824790 working-precision words and 624 shell-pairs IPart= 7 NShTot= 332784 NBatch= 350 AvBLen= 950.8 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 360516 NBatch= 378 AvBLen= 953.7 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 374382 NBatch= 388 AvBLen= 964.9 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 10 NShTot= 298119 NBatch= 306 AvBLen= 974.2 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 0 NShTot= 450645 NBatch= 519 AvBLen= 868.3 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 11 NShTot= 298119 NBatch= 306 AvBLen= 974.2 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 305052 NBatch= 310 AvBLen= 984.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 318918 NBatch= 331 AvBLen= 963.5 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 3 NShTot= 388248 NBatch= 398 AvBLen= 975.5 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 2 NShTot= 402114 NBatch= 417 AvBLen= 964.3 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 4 NShTot= 374382 NBatch= 388 AvBLen= 964.9 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 422913 NBatch= 455 AvBLen= 929.5 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 6914 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00264 RRMS= 0.13317: ESP charges: 1 1 C 0.511839 2 C -0.279160 3 O -0.849357 4 O -0.734011 5 C 1.016399 6 N -0.774449 7 C 0.832884 8 O -0.746012 9 N -0.005969 10 C -0.152890 11 C -0.374966 12 H 0.064140 13 H 0.114271 14 H 0.059479 15 H 0.438029 16 I 0.128638 17 H 0.168754 18 H 0.087831 19 H 0.494552 Sum of ESP charges = 0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.575979 2 C -0.017580 3 O -0.354805 4 O -0.734011 5 C 1.016399 6 N -0.336420 7 C 0.832884 8 O -0.746012 9 N -0.005969 10 C -0.152890 11 C -0.206212 16 I 0.128638 Charge= 0.00000 Dipole= 3.2538 2.0679 -0.2836 Tot= 3.8657 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -3.049636 2 Atom -3.187151 3 Atom -6.625351 4 Atom -6.646383 5 Atom -2.998819 6 Atom -4.679906 7 Atom -2.954178 8 Atom -6.643170 9 Atom -4.659873 10 Atom -3.026831 11 Atom -3.144477 12 Atom -1.060301 13 Atom -1.086522 14 Atom -1.084295 15 Atom -0.949985 16 Atom -3.365987 17 Atom -1.048004 18 Atom -1.086600 19 Atom -0.940847 20 Fit 0.017173 21 Fit 0.027448 22 Fit 0.054164 23 Fit 0.017085 24 Fit 0.016419 25 Fit 0.015890 26 Fit 0.016234 27 Fit 0.018346 28 Fit 0.017514 29 Fit 0.015556 30 Fit 0.015527 31 Fit 0.015939 32 Fit 0.016463 33 Fit 0.020223 34 Fit 0.015497 35 Fit 0.015400 36 Fit 0.016750 37 Fit 0.022757 38 Fit 0.015206 39 Fit 0.016813 40 Fit 0.026008 41 Fit 0.031804 42 Fit 0.032314 43 Fit 0.017074 44 Fit 0.019901 45 Fit 0.019164 46 Fit 0.018207 47 Fit 0.001951 48 Fit 0.025169 49 Fit -0.009201 50 Fit -0.007357 51 Fit -0.019460 52 Fit -0.032863 53 Fit -0.032576 54 Fit -0.029731 55 Fit -0.023682 56 Fit -0.040461 57 Fit -0.039988 58 Fit -0.037892 59 Fit -0.033842 60 Fit -0.027437 61 Fit -0.018431 62 Fit -0.006909 63 Fit 0.006882 64 Fit -0.042902 65 Fit -0.042157 66 Fit -0.040163 67 Fit -0.036642 68 Fit -0.031249 69 Fit -0.023701 70 Fit -0.013858 71 Fit -0.001734 72 Fit 0.012576 73 Fit -0.040541 74 Fit -0.039423 75 Fit -0.037238 76 Fit -0.033713 77 Fit -0.028517 78 Fit -0.021348 79 Fit -0.012021 80 Fit -0.000536 81 Fit 0.012885 82 Fit 0.027817 83 Fit -0.040660 84 Fit -0.033748 85 Fit -0.032157 86 Fit -0.029510 87 Fit -0.025529 88 Fit -0.019878 89 Fit -0.012252 90 Fit -0.002483 91 Fit 0.009353 92 Fit 0.022838 93 Fit -0.034404 94 Fit -0.022933 95 Fit -0.020650 96 Fit -0.017005 97 Fit -0.011663 98 Fit -0.004226 99 Fit 0.005617 100 Fit 0.033118 101 Fit -0.023604 102 Fit -0.023995 103 Fit -0.008452 104 Fit -0.005343 105 Fit -0.000307 106 Fit 0.012624 107 Fit 0.001856 108 Fit -0.005432 109 Fit -0.009028 110 Fit -0.009773 111 Fit -0.027296 112 Fit -0.019269 113 Fit -0.011380 114 Fit -0.020357 115 Fit -0.034011 116 Fit -0.039411 117 Fit -0.033372 118 Fit -0.012425 119 Fit -0.027581 120 Fit -0.039463 121 Fit -0.046314 122 Fit -0.048474 123 Fit -0.046158 124 Fit -0.038634 125 Fit -0.025786 126 Fit -0.008776 127 Fit -0.025211 128 Fit -0.038664 129 Fit -0.047656 130 Fit -0.052671 131 Fit -0.054818 132 Fit -0.054619 133 Fit -0.051604 134 Fit -0.044667 135 Fit -0.033008 136 Fit -0.017185 137 Fit -0.002596 138 Fit -0.020825 139 Fit -0.036126 140 Fit -0.046855 141 Fit -0.053450 142 Fit -0.057119 143 Fit -0.058969 144 Fit -0.059563 145 Fit -0.058757 146 Fit -0.055785 147 Fit -0.049547 148 Fit -0.039060 149 Fit -0.024075 150 Fit -0.009331 151 Fit -0.029787 152 Fit -0.043974 153 Fit -0.052763 154 Fit -0.057740 155 Fit -0.060403 156 Fit -0.061827 157 Fit -0.062501 158 Fit -0.062276 159 Fit -0.060434 160 Fit -0.055861 161 Fit -0.047290 162 Fit -0.033597 163 Fit -0.014279 164 Fit -0.020004 165 Fit -0.038597 166 Fit -0.050099 167 Fit -0.056763 168 Fit -0.060383 169 Fit -0.062317 170 Fit -0.063450 171 Fit -0.064157 172 Fit -0.064299 173 Fit -0.063275 174 Fit -0.060124 175 Fit -0.053643 176 Fit -0.042466 177 Fit -0.025026 178 Fit -0.029331 179 Fit -0.045171 180 Fit -0.054362 181 Fit -0.059397 182 Fit -0.062020 183 Fit -0.063442 184 Fit -0.064364 185 Fit -0.064982 186 Fit -0.065000 187 Fit -0.063699 188 Fit -0.060030 189 Fit -0.052688 190 Fit -0.040064 191 Fit -0.028317 192 Fit -0.044620 193 Fit -0.054029 194 Fit -0.059171 195 Fit -0.061843 196 Fit -0.063277 197 Fit -0.064187 198 Fit -0.064775 199 Fit -0.064750 200 Fit -0.063398 201 Fit -0.059675 202 Fit -0.052280 203 Fit -0.039615 204 Fit -0.016131 205 Fit -0.036515 206 Fit -0.048861 207 Fit -0.055949 208 Fit -0.059776 209 Fit -0.061786 210 Fit -0.062909 211 Fit -0.063545 212 Fit -0.063574 213 Fit -0.062408 214 Fit -0.059098 215 Fit -0.052455 216 Fit -0.041134 217 Fit -0.023603 218 Fit -0.002001 219 Fit -0.025632 220 Fit -0.041485 221 Fit -0.051146 222 Fit -0.056561 223 Fit -0.059404 224 Fit -0.060838 225 Fit -0.061405 226 Fit -0.060991 227 Fit -0.058906 228 Fit -0.054061 229 Fit -0.045209 230 Fit -0.031250 231 Fit -0.011663 232 Fit -0.014887 233 Fit -0.032191 234 Fit -0.044197 235 Fit -0.051503 236 Fit -0.055497 237 Fit -0.057409 238 Fit -0.057882 239 Fit -0.056827 240 Fit -0.053523 241 Fit -0.046898 242 Fit -0.035986 243 Fit -0.020503 244 Fit -0.019827 245 Fit -0.034785 246 Fit -0.044787 247 Fit -0.050291 248 Fit -0.052526 249 Fit -0.052135 250 Fit -0.048734 251 Fit -0.041277 252 Fit -0.028964 253 Fit -0.012196 254 Fit -0.005915 255 Fit -0.022395 256 Fit -0.035494 257 Fit -0.043025 258 Fit -0.045293 259 Fit -0.042649 260 Fit -0.034482 261 Fit -0.020664 262 Fit -0.013123 263 Fit -0.014333 264 Fit -0.029326 265 Fit -0.035210 266 Fit -0.028572 267 Fit -0.021860 268 Fit 0.016255 269 Fit 0.019473 270 Fit 0.024515 271 Fit 0.020396 272 Fit 0.011015 273 Fit 0.005172 274 Fit 0.010912 275 Fit 0.027415 276 Fit 0.032302 277 Fit 0.029412 278 Fit 0.014826 279 Fit 0.004814 280 Fit -0.006182 281 Fit -0.004705 282 Fit 0.005605 283 Fit 0.013890 284 Fit 0.043074 285 Fit 0.005877 286 Fit -0.000749 287 Fit -0.006406 288 Fit 0.000861 289 Fit -0.002552 290 Fit -0.002723 291 Fit -0.008940 292 Fit 0.003379 293 Fit 0.031837 294 Fit 0.036651 295 Fit 0.009389 296 Fit 0.000139 297 Fit -0.003592 298 Fit 0.001164 299 Fit 0.009881 300 Fit 0.017176 301 Fit 0.023345 302 Fit 0.028123 303 Fit 0.023336 304 Fit 0.015169 305 Fit 0.010315 306 Fit 0.015310 307 Fit 0.020250 308 Fit 0.017452 309 Fit 0.025690 310 Fit 0.023031 311 Fit 0.015793 312 Fit 0.012544 313 Fit 0.014571 314 Fit 0.021616 315 Fit 0.036184 316 Fit 0.036728 317 Fit 0.023046 318 Fit 0.015324 319 Fit 0.012652 320 Fit 0.011799 321 Fit 0.010793 322 Fit 0.012605 323 Fit 0.048102 324 Fit 0.013403 325 Fit 0.014602 326 Fit 0.016151 327 Fit 0.014623 328 Fit 0.010499 329 Fit 0.008096 330 Fit 0.011594 331 Fit 0.010693 332 Fit 0.005147 333 Fit 0.009649 334 Fit 0.013426 335 Fit 0.005691 336 Fit 0.049250 337 Fit 0.013483 338 Fit 0.015452 339 Fit 0.017460 340 Fit 0.016029 341 Fit 0.012010 342 Fit 0.009600 343 Fit 0.037449 344 Fit 0.016903 345 Fit 0.013982 346 Fit 0.012941 347 Fit 0.011549 348 Fit 0.012584 349 Fit 0.018822 350 Fit 0.032764 351 Fit 0.026809 352 Fit 0.025426 353 Fit 0.017583 354 Fit 0.013552 355 Fit 0.014635 356 Fit 0.021175 357 Fit 0.018455 358 Fit 0.032529 359 Fit 0.037357 360 Fit 0.031600 361 Fit 0.024158 362 Fit 0.025865 363 Fit 0.032224 364 Fit 0.038093 365 Fit 0.037963 366 Fit 0.031263 367 Fit 0.018875 368 Fit 0.010788 369 Fit 0.012357 370 Fit 0.018980 371 Fit 0.043523 372 Fit 0.008432 373 Fit 0.008236 374 Fit 0.034732 375 Fit 0.004206 376 Fit 0.048510 377 Fit 0.043420 378 Fit 0.034400 379 Fit 0.018151 380 Fit 0.008820 381 Fit 0.017285 382 Fit 0.024350 383 Fit 0.038079 384 Fit 0.043110 385 Fit 0.043172 386 Fit 0.039666 387 Fit 0.033226 388 Fit 0.023314 389 Fit 0.025264 390 Fit 0.032715 391 Fit 0.038985 392 Fit 0.033228 393 Fit -0.008792 394 Fit 0.003102 395 Fit -0.013521 396 Fit -0.023112 397 Fit -0.018398 398 Fit -0.002306 399 Fit 0.000352 400 Fit -0.016504 401 Fit -0.028275 402 Fit -0.033795 403 Fit -0.033153 404 Fit -0.025874 405 Fit -0.012059 406 Fit -0.003245 407 Fit -0.020332 408 Fit -0.032095 409 Fit -0.039006 410 Fit -0.041963 411 Fit -0.041206 412 Fit -0.036014 413 Fit -0.025345 414 Fit -0.009409 415 Fit -0.005480 416 Fit -0.022354 417 Fit -0.033980 418 Fit -0.041326 419 Fit -0.045546 420 Fit -0.047384 421 Fit -0.046856 422 Fit -0.043220 423 Fit -0.035229 424 Fit -0.021736 425 Fit -0.002963 426 Fit -0.027647 427 Fit -0.038281 428 Fit -0.044773 429 Fit -0.048588 430 Fit -0.050554 431 Fit -0.050756 432 Fit -0.048535 433 Fit -0.042589 434 Fit -0.031154 435 Fit -0.012354 436 Fit -0.031474 437 Fit -0.040989 438 Fit -0.046705 439 Fit -0.050168 440 Fit -0.052184 441 Fit -0.052884 442 Fit -0.051764 443 Fit -0.047737 444 Fit -0.039145 445 Fit -0.023642 446 Fit -0.027001 447 Fit -0.038780 448 Fit -0.045590 449 Fit -0.049678 450 Fit -0.052200 451 Fit -0.053558 452 Fit -0.053493 453 Fit -0.051146 454 Fit -0.045066 455 Fit -0.033078 456 Fit -0.011679 457 Fit -0.025431 458 Fit -0.037963 459 Fit -0.045087 460 Fit -0.049341 461 Fit -0.051972 462 Fit -0.053421 463 Fit -0.053453 464 Fit -0.051228 465 Fit -0.045328 466 Fit -0.033648 467 Fit -0.012894 468 Fit -0.027976 469 Fit -0.039018 470 Fit -0.045452 471 Fit -0.049330 472 Fit -0.051644 473 Fit -0.052617 474 Fit -0.051809 475 Fit -0.048198 476 Fit -0.040241 477 Fit -0.025863 478 Fit -0.022024 479 Fit -0.035130 480 Fit -0.042834 481 Fit -0.047352 482 Fit -0.049829 483 Fit -0.050511 484 Fit -0.048851 485 Fit -0.043673 486 Fit -0.033421 487 Fit -0.016639 488 Fit -0.016004 489 Fit -0.030172 490 Fit -0.039002 491 Fit -0.044150 492 Fit -0.046693 493 Fit -0.046849 494 Fit -0.044028 495 Fit -0.037133 496 Fit -0.025191 497 Fit -0.008484 498 Fit 0.021986 499 Fit 0.002669 500 Fit -0.015721 501 Fit -0.029191 502 Fit -0.037383 503 Fit -0.041317 504 Fit -0.041493 505 Fit -0.037401 506 Fit -0.028138 507 Fit -0.013830 508 Fit 0.003368 509 Fit 0.017507 510 Fit 0.002649 511 Fit -0.013990 512 Fit -0.026722 513 Fit -0.033362 514 Fit -0.033882 515 Fit -0.027968 516 Fit -0.015697 517 Fit 0.000642 518 Fit 0.001932 519 Fit -0.013225 520 Fit -0.023570 521 Fit -0.020437 522 Fit -0.005965 523 Fit 0.006133 524 Fit -0.010586 525 Fit 0.031998 526 Fit 0.034574 527 Fit 0.033504 528 Fit 0.031835 529 Fit 0.037986 530 Fit 0.041698 531 Fit 0.038905 532 Fit 0.050323 533 Fit 0.048597 534 Fit 0.049793 535 Fit 0.043357 536 Fit 0.039342 537 Fit 0.035000 538 Fit 0.033614 539 Fit 0.041696 540 Fit 0.045948 541 Fit 0.040247 542 Fit 0.036745 543 Fit 0.035104 544 Fit 0.040092 545 Fit 0.023565 546 Fit 0.028912 547 Fit 0.028616 548 Fit 0.024700 549 Fit 0.018256 550 Fit 0.019426 551 Fit 0.033746 552 Fit 0.033538 553 Fit 0.030285 554 Fit 0.044236 555 Fit 0.034096 556 Fit 0.025545 557 Fit 0.014369 558 Fit 0.028488 559 Fit 0.030752 560 Fit 0.027898 561 Fit 0.020950 562 Fit 0.020308 563 Fit 0.025203 564 Fit 0.009255 565 Fit 0.007779 566 Fit 0.011680 567 Fit 0.015496 568 Fit 0.013717 569 Fit 0.008207 570 Fit 0.006363 571 Fit 0.009574 572 Fit 0.012974 573 Fit 0.021827 574 Fit 0.025507 575 Fit 0.025844 576 Fit 0.012943 577 Fit 0.007104 578 Fit 0.005837 579 Fit 0.006495 580 Fit 0.007515 581 Fit 0.040250 582 Fit 0.005250 583 Fit 0.004554 584 Fit 0.007096 585 Fit 0.009461 586 Fit 0.010525 587 Fit 0.011776 588 Fit -0.000607 589 Fit 0.005244 590 Fit -0.005536 591 Fit -0.003364 592 Fit 0.001830 593 Fit 0.005339 594 Fit 0.047934 595 Fit 0.008385 596 Fit 0.005759 597 Fit 0.006689 598 Fit 0.008222 599 Fit 0.009423 600 Fit 0.010611 601 Fit 0.031416 602 Fit 0.030925 603 Fit 0.016446 604 Fit 0.009203 605 Fit 0.006531 606 Fit 0.006449 607 Fit 0.007642 608 Fit 0.009410 609 Fit 0.014915 610 Fit 0.019580 611 Fit 0.017129 612 Fit 0.010310 613 Fit 0.007498 614 Fit 0.011735 615 Fit 0.018246 616 Fit 0.007712 617 Fit 0.018244 618 Fit 0.006856 619 Fit -0.009192 620 Fit 0.025176 621 Fit 0.017753 622 Fit 0.007384 623 Fit -0.008524 624 Fit 0.028171 625 Fit 0.023001 626 Fit 0.016155 627 Fit 0.006069 628 Fit -0.009593 629 Fit 0.030350 630 Fit 0.028092 631 Fit 0.024397 632 Fit 0.018818 633 Fit 0.010423 634 Fit -0.002474 635 Fit -0.022769 636 Fit 0.029178 637 Fit 0.027929 638 Fit 0.024316 639 Fit 0.018343 640 Fit 0.009191 641 Fit -0.004825 642 Fit 0.032015 643 Fit 0.031435 644 Fit 0.028036 645 Fit 0.022224 646 Fit 0.013464 647 Fit 0.000504 648 Fit 0.039035 649 Fit 0.033075 650 Fit 0.025881 651 Fit 0.016451 652 Fit 0.004407 653 Fit 0.039077 654 Fit 0.029250 655 Fit 0.020429 656 Fit 0.017492 657 Fit 0.029234 658 Fit 0.042996 659 Fit 0.039759 660 Fit 0.016350 661 Fit 0.015910 662 Fit 0.015888 663 Fit 0.016294 664 Fit 0.016388 665 Fit 0.016382 666 Fit 0.014933 667 Fit 0.015329 668 Fit 0.016189 669 Fit 0.016829 670 Fit 0.016972 671 Fit 0.016655 672 Fit 0.016313 673 Fit 0.013558 674 Fit 0.014371 675 Fit 0.015638 676 Fit 0.016767 677 Fit 0.017475 678 Fit 0.017658 679 Fit 0.017357 680 Fit 0.016789 681 Fit 0.016487 682 Fit 0.011447 683 Fit 0.012770 684 Fit 0.014472 685 Fit 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