Entering Gaussian System, Link 0=g03 Input=hemopt.com Output=hemopt.log Initial command: /opt/n1ge6/gaussian/tar/g03/l1.exe /home/pancham/before-docking/assign/work/Gau-26076.inp -scrdir=/home/pancham/before-docking/assign/work/ Entering Link 1 = /opt/n1ge6/gaussian/tar/g03/l1.exe PID= 26078. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004,2007, Gaussian, Inc. All Rights Reserved. This is the Gaussian(R) 03 program. It is based on the 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 03, Revision E.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004. ****************************************** Gaussian 03: AM64S-G03RevE.01 11-Sep-2007 19-Sep-2011 ****************************************** ---------------------------------------------------- #p hf/6-31g scf=tight pop=(mk,readradii) iop(6/33=2) ---------------------------------------------------- 1/38=1/1; 2/17=6,18=5,40=1/2; 3/5=1,6=6,11=9,16=1,25=1,30=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=2/1,2; 99/5=1,9=1/99; Leave Link 1 at Mon Sep 19 19:28:19 2011, MaxMem= 0 cpu: 0.1 (Enter /opt/n1ge6/gaussian/tar/g03/l101.exe) ----------------------- resp charge calculation ----------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 7.671 24.995 -3.803 C 3.065 24.073 -3.002 C 3.952 24.623 1.703 C 8.53 25.222 0.846 C 6.362 24.609 -4.075 C 5.711 24.47 -5.373 C 4.385 24.196 -5.123 C 4.254 24.201 -3.699 C 3.211 23.937 -6.149 C 6.374 24.582 -6.732 C 6.903 23.295 -7.26 C 7.502 23.414 -8.65 O 7.07 22.668 -9.537 O 8.347 24.231 -8.895 C 2.851 24.12 -1.6 C 1.581 24.004 -0.969 C 1.827 24.217 0.394 C 3.251 24.426 0.502 C 0.285 23.732 -1.751 C 0.927 24.212 1.523 C -0.487 23.874 1.569 C 5.332 24.515 1.954 C 5.919 24.528 3.227 C 7.288 24.775 3.012 C 7.41 24.9 1.585 C 5.197 24.307 4.565 C 8.352 24.911 3.885 C 9.31 23.979 4.225 C 8.704 25.262 -0.518 C 9.933 25.492 -1.137 C 9.731 25.411 -2.463 C 8.351 25.036 -2.6 C 11.255 25.89 -0.446 C 10.73 25.526 -3.641 C 11.355 24.183 -4.013 C 12.305 24.097 -5.215 O 12.995 23.091 -5.418 O 12.323 25.057 -6.005 N 5.437 24.438 -3.083 N 3.82 24.37 -0.692 N 6.214 24.729 1.004 N 7.764 24.962 -1.42 Fe 5.89 24.568 -1.058 H 8.267 25.301 -4.546 H 2.209 23.926 -3.497 H 3.458 24.878 2.534 H 9.291 25.45 1.454 H 3.096 24.739 -6.735 H 2.362 23.766 -5.649 H 3.431 23.141 -6.714 H 7.146 25.215 -6.676 H 5.712 24.923 -7.399 H 6.167 22.618 -7.288 H 7.636 22.966 -6.664 H 0.132 24.468 -2.41 H -0.486 23.689 -1.115 H 0.365 22.862 -2.237 H 1.261 24.467 2.43 H -0.962 23.598 0.734 H -0.984 23.918 2.436 H 4.492 25.006 4.683 H 5.856 24.37 5.314 H 4.773 23.402 4.57 H 8.499 25.777 4.364 H 9.285 23.065 3.819 H 10.03 24.217 4.877 H 11.974 25.245 -0.705 H 11.132 25.87 0.546 H 11.516 26.812 -0.731 H 11.47 26.15 -3.391 H 10.256 25.878 -4.448 H 10.632 23.521 -4.21 H 11.911 23.851 -3.251 N 7.411 20.319 -3.992 H 7.895 19.433 -4.003 C 7.504 21.144 -2.79 H 7.945 22.111 -3.031 C 6.095 21.377 -2.207 H 5.484 21.997 -2.863 H 5.578 20.437 -2.011 S 6.172 22.248 -0.62 C 8.367 20.413 -1.742 O 8.025 19.358 -1.331 O 9.389 20.935 -1.301 H 6.878 20.636 -4.776 Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 10 IAtWgt= 12 12 12 12 12 12 12 12 12 12 AtmWgt= 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 NucSpn= 0 0 0 0 0 0 0 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 Atom 11 12 13 14 15 16 17 18 19 20 IAtWgt= 12 12 16 16 12 12 12 12 12 12 AtmWgt= 12.0000000 12.0000000 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 NucSpn= 0 0 0 0 0 0 0 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 Atom 21 22 23 24 25 26 27 28 29 30 IAtWgt= 12 12 12 12 12 12 12 12 12 12 AtmWgt= 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 NucSpn= 0 0 0 0 0 0 0 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 Atom 31 32 33 34 35 36 37 38 39 40 IAtWgt= 12 12 12 12 12 12 16 16 14 14 AtmWgt= 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 15.9949146 15.9949146 14.0030740 14.0030740 NucSpn= 0 0 0 0 0 0 0 0 2 2 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.0440000 2.0440000 NMagM= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.4037610 0.4037610 Atom 41 42 43 44 45 46 47 48 49 50 IAtWgt= 14 14 56 1 1 1 1 1 1 1 AtmWgt= 14.0030740 14.0030740 55.9349393 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 NucSpn= 2 2 0 1 1 1 1 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 0.4037610 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 Atom 51 52 53 54 55 56 57 58 59 60 IAtWgt= 1 1 1 1 1 1 1 1 1 1 AtmWgt= 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 NucSpn= 1 1 1 1 1 1 1 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 Atom 61 62 63 64 65 66 67 68 69 70 IAtWgt= 1 1 1 1 1 1 1 1 1 1 AtmWgt= 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 NucSpn= 1 1 1 1 1 1 1 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 Atom 71 72 73 74 75 76 77 78 79 80 IAtWgt= 1 1 1 14 1 12 1 12 1 1 AtmWgt= 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 1 1 1 2 1 0 1 0 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 Atom 81 82 83 84 85 IAtWgt= 32 12 16 16 1 AtmWgt= 31.9720718 12.0000000 15.9949146 15.9949146 1.0078250 NucSpn= 0 0 0 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.0000000 0.0000000 2.7928460 Leave Link 101 at Mon Sep 19 19:28:20 2011, MaxMem= 6291456 cpu: 0.0 (Enter /opt/n1ge6/gaussian/tar/g03/l202.exe) Stoichiometry C37H35FeN5O6S Framework group C1[X(C37H35FeN5O6S)] Deg. of freedom 249 Full point group C1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.050609 0.081343 -1.234460 2 6 0 1.168117 3.505230 -0.444696 3 6 0 4.565080 0.087331 -0.514732 4 6 0 1.299323 -3.253419 -0.989654 5 6 0 -1.553343 1.345640 -0.933229 6 6 0 -2.259789 2.621860 -0.944384 7 6 0 -1.317648 3.597424 -0.706692 8 6 0 -0.071779 2.906111 -0.584798 9 6 0 -1.510475 5.162230 -0.596084 10 6 0 -3.747299 2.828427 -1.153280 11 6 0 -4.548164 2.803417 0.100906 12 6 0 -6.024577 3.079430 -0.120646 13 8 0 -6.548512 3.998759 0.519850 14 8 0 -6.662004 2.448768 -0.919076 15 6 0 2.445067 2.890846 -0.370267 16 6 0 3.677153 3.592590 -0.251799 17 6 0 4.670224 2.606706 -0.325953 18 6 0 3.963720 1.355451 -0.461355 19 6 0 3.753448 5.122115 -0.110886 20 6 0 6.108280 2.714720 -0.255298 21 6 0 6.929093 3.882822 0.023199 22 6 0 3.984621 -1.179766 -0.323431 23 6 0 4.700176 -2.378096 -0.192078 24 6 0 3.761077 -3.406289 -0.397769 25 6 0 2.524604 -2.717427 -0.649647 26 6 0 6.198140 -2.514643 0.120697 27 6 0 3.883915 -4.783815 -0.405101 28 6 0 3.572696 -5.680311 0.595611 29 6 0 0.080810 -2.635149 -1.148837 30 6 0 -1.112257 -3.319998 -1.381379 31 6 0 -2.092928 -2.402804 -1.433149 32 6 0 -1.443835 -1.156762 -1.133400 33 6 0 -1.271572 -4.831071 -1.654957 34 6 0 -3.621618 -2.574591 -1.613443 35 6 0 -4.351420 -2.761146 -0.284818 36 6 0 -5.882576 -2.861292 -0.269562 37 8 0 -6.492607 -3.226062 0.742441 38 8 0 -6.492672 -2.518250 -1.297243 39 7 0 -0.222476 1.565813 -0.711309 40 7 0 2.656419 1.561763 -0.491899 41 7 0 2.714890 -1.391920 -0.586095 42 7 0 -0.144628 -1.328862 -0.975640 43 26 0 1.193663 0.045608 -0.632180 44 1 0 -2.983338 -0.019670 -1.581898 45 1 0 1.237901 4.500510 -0.382102 46 1 0 5.541660 0.005217 -0.712648 47 1 0 1.380501 -4.241075 -1.126460 48 1 0 -1.885677 5.514356 -1.453438 49 1 0 -0.627377 5.595800 -0.416651 50 1 0 -2.141268 5.368720 0.152717 51 1 0 -4.105360 2.105365 -1.743858 52 1 0 -3.903440 3.717164 -1.583607 53 1 0 -4.189742 3.485049 0.739435 54 1 0 -4.490004 1.894996 0.515797 55 1 0 3.336271 5.552324 -0.911055 56 1 0 4.710928 5.403836 -0.042689 57 1 0 3.263055 5.406103 0.712741 58 1 0 6.678590 1.908436 -0.409836 59 1 0 6.496751 4.766648 0.199149 60 1 0 7.926001 3.801720 0.038384 61 1 0 6.730756 -2.062593 -0.594510 62 1 0 6.444470 -3.482774 0.156674 63 1 0 6.395193 -2.088089 1.002767 64 1 0 4.239819 -5.250369 -1.215450 65 1 0 3.205272 -5.350859 1.465852 66 1 0 3.713804 -6.659785 0.451159 67 1 0 -1.925295 -5.220356 -1.005980 68 1 0 -0.386914 -5.284448 -1.548075 69 1 0 -1.605793 -4.967919 -2.587158 70 1 0 -3.802439 -3.379326 -2.178405 71 1 0 -3.998797 -1.763054 -2.059506 72 1 0 -4.138603 -1.996757 0.323623 73 1 0 -4.056645 -3.616716 0.140756 74 7 0 -2.302332 0.816547 3.387705 75 1 0 -2.631537 0.502995 4.289194 76 6 0 -1.323220 -0.007438 2.683101 77 1 0 -1.720813 -0.321121 1.718128 78 6 0 -0.033752 0.804655 2.443858 79 1 0 -0.195193 1.620470 1.739274 80 1 0 0.371258 1.203738 3.374452 81 16 0 1.273531 -0.226184 1.728650 82 6 0 -0.987758 -1.240690 3.545649 83 8 0 -0.510949 -1.096032 4.618326 84 8 0 -1.176425 -2.375616 3.112295 85 1 0 -2.629008 1.666855 2.976011 --------------------------------------------------------------------- Rotational constants (GHZ): 0.0718813 0.0463363 0.0338520 Leave Link 202 at Mon Sep 19 19:28:20 2011, MaxMem= 6291456 cpu: 0.1 (Enter /opt/n1ge6/gaussian/tar/g03/l301.exe) Standard basis: 6-31G (6D, 7F) There are 544 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 544 basis functions, 1336 primitive gaussians, 544 cartesian basis functions 191 alpha electrons 191 beta electrons nuclear repulsion energy 7754.8458584889 Hartrees. IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 85 NActive= 85 NUniq= 85 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=T Big=T Leave Link 301 at Mon Sep 19 19:28:20 2011, MaxMem= 6291456 cpu: 0.0 (Enter /opt/n1ge6/gaussian/tar/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. NBasis= 544 RedAO= T NBF= 544 NBsUse= 544 1.00D-06 NBFU= 544 Leave Link 302 at Mon Sep 19 19:28:23 2011, MaxMem= 6291456 cpu: 1.8 (Enter /opt/n1ge6/gaussian/tar/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Mon Sep 19 19:28:23 2011, MaxMem= 6291456 cpu: 0.2 (Enter /opt/n1ge6/gaussian/tar/g03/l401.exe) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 4.11D-02 ExpMax= 6.11D+04 ExpMxC= 9.18D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Harris En= -3804.60779476473 Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (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 of the initial guess is 1-A. Leave Link 401 at Mon Sep 19 19:29:18 2011, MaxMem= 6291456 cpu: 35.6 (Enter /opt/n1ge6/gaussian/tar/g03/l502.exe) Closed shell SCF: 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. Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IEnd= 1059535 IEndB= 1059535 NGot= 6291456 MDV= 5545042 LenX= 5545042 Fock matrices will be formed incrementally for 20 cycles. Cycle 1 Pass 1 IDiag 1: FoFCou: FMM=T IPFlag= 0 FMFlag= 100000 FMFlg1= 8193 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T. Petite list used in FoFCou. FMM levels: 10 Number of levels for PrismC: 9 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3787.93073291164 DIIS: error= 2.28D-01 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -3787.93073291164 IErMin= 1 ErrMin= 2.28D-01 ErrMax= 2.28D-01 EMaxC= 1.00D-01 BMatC= 9.21D+00 BMatP= 9.21D+00 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.093 Goal= None Shift= 0.000 GapD= 0.093 DampG=0.500 DampE=0.125 DampFc=0.1250 IDamp=-1. Damping current iteration by 1.25D-01 RMSDP=4.32D-02 MaxDP=4.82D+00 OVMax= 9.36D-01 Cycle 2 Pass 1 IDiag 1: RMSU= 5.40D-03 CP: 9.98D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3791.50172608185 Delta-E= -3.570993170204 Rises=F Damp=T DIIS: error= 1.11D-01 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -3791.50172608185 IErMin= 2 ErrMin= 1.11D-01 ErrMax= 1.11D-01 EMaxC= 1.00D-01 BMatC= 3.19D+00 BMatP= 9.21D+00 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-Com: -0.757D+00 0.176D+01 Coeff-En: 0.401D-01 0.960D+00 Coeff: 0.401D-01 0.960D+00 Gap= -0.312 Goal= None Shift= 0.000 RMSDP=9.14D-03 MaxDP=6.78D-01 DE=-3.57D+00 OVMax= 9.92D-01 Cycle 3 Pass 1 IDiag 1: RMSU= 8.91D-03 CP: 9.25D-01 7.36D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3779.68572496561 Delta-E= 11.816001116240 Rises=F Damp=F DIIS: error= 3.09D-01 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 2 EnMin= -3791.50172608185 IErMin= 2 ErrMin= 1.11D-01 ErrMax= 3.09D-01 EMaxC= 1.00D-01 BMatC= 2.53D+01 BMatP= 3.19D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.573D+00 0.116D-01 0.415D+00 Coeff: 0.573D+00 0.116D-01 0.415D+00 Gap= 0.111 Goal= None Shift= 0.000 RMSDP=9.09D-03 MaxDP=8.58D-01 DE= 1.18D+01 OVMax= 9.02D-01 Cycle 4 Pass 1 IDiag 1: RMSU= 7.15D-03 CP: 9.08D-01 2.41D-01 4.48D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3775.71556793151 Delta-E= 3.970157034095 Rises=F Damp=F DIIS: error= 1.48D-01 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 2 EnMin= -3791.50172608185 IErMin= 2 ErrMin= 1.11D-01 ErrMax= 1.48D-01 EMaxC= 1.00D-01 BMatC= 1.22D+01 BMatP= 3.19D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.544D+00 0.650D-02 0.298D+00 0.151D+00 Coeff: 0.544D+00 0.650D-02 0.298D+00 0.151D+00 Gap= 0.196 Goal= None Shift= 0.000 RMSDP=6.31D-03 MaxDP=3.13D-01 DE= 3.97D+00 OVMax= 9.94D-01 Cycle 5 Pass 1 IDiag 1: RMSU= 4.81D-03 CP: 9.13D-01 1.48D-01 4.56D-01 4.33D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3790.45327339808 Delta-E= -14.737705466567 Rises=F Damp=F DIIS: error= 1.48D-01 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 2 EnMin= -3791.50172608185 IErMin= 2 ErrMin= 1.11D-01 ErrMax= 1.48D-01 EMaxC= 1.00D-01 BMatC= 7.54D+00 BMatP= 3.19D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.472D+00 0.435D-02 0.124D+00 0.103D+00 0.297D+00 Coeff: 0.472D+00 0.435D-02 0.124D+00 0.103D+00 0.297D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=4.15D-03 MaxDP=3.84D-01 DE=-1.47D+01 OVMax= 9.51D-01 Cycle 6 Pass 1 IDiag 1: RMSU= 3.57D-03 CP: 9.24D-01 9.95D-02 4.60D-01 3.19D-01 6.00D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3798.83406084613 Delta-E= -8.380787448055 Rises=F Damp=F DIIS: error= 1.68D-01 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -3798.83406084613 IErMin= 2 ErrMin= 1.11D-01 ErrMax= 1.68D-01 EMaxC= 1.00D-01 BMatC= 2.25D+00 BMatP= 3.19D+00 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 4 forward-backward iterations Coeff-Com: -0.115D+00 0.573D+00-0.543D-01 0.114D-01 0.867D-01 0.498D+00 Coeff-En: 0.191D+00 0.000D+00 0.000D+00 0.743D-02 0.783D-01 0.723D+00 Coeff: 0.191D+00 0.000D+00 0.000D+00 0.743D-02 0.783D-01 0.723D+00 Gap= 0.116 Goal= None Shift= 0.000 RMSDP=6.35D-03 MaxDP=2.10D-01 DE=-8.38D+00 OVMax= 6.51D-01 Cycle 7 Pass 1 IDiag 1: RMSU= 5.13D-03 CP: 9.35D-01 2.34D-01 2.21D-01 7.09D-01 5.06D-01 CP: 7.24D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3795.76503203817 Delta-E= 3.069028807960 Rises=F Damp=F DIIS: error= 5.67D-02 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 6 EnMin= -3798.83406084613 IErMin= 7 ErrMin= 5.67D-02 ErrMax= 5.67D-02 EMaxC= 1.00D-01 BMatC= 2.24D+00 BMatP= 2.25D+00 IDIUse=3 WtCom= 4.33D-01 WtEn= 5.67D-01 EnCoef did 8 forward-backward iterations Coeff-Com: 0.547D-01 0.122D+00 0.150D-01-0.924D-01 0.110D+00 0.397D+00 Coeff-Com: 0.394D+00 Coeff-En: 0.927D-01 0.000D+00 0.000D+00 0.000D+00 0.350D-02 0.672D+00 Coeff-En: 0.232D+00 Coeff: 0.763D-01 0.527D-01 0.648D-02-0.400D-01 0.497D-01 0.553D+00 Coeff: 0.302D+00 Gap= 0.270 Goal= None Shift= 0.000 RMSDP=4.85D-03 MaxDP=2.51D-01 DE= 3.07D+00 OVMax= 9.92D-01 Cycle 8 Pass 1 IDiag 1: RMSU= 2.37D-03 CP: 9.28D-01 1.44D-01 3.03D-01 4.40D-01 8.39D-01 CP: 5.26D-01 3.75D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3798.50594285409 Delta-E= -2.740910815919 Rises=F Damp=F DIIS: error= 6.81D-02 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 6 EnMin= -3798.83406084613 IErMin= 7 ErrMin= 5.67D-02 ErrMax= 6.81D-02 EMaxC= 1.00D-01 BMatC= 1.01D+00 BMatP= 2.24D+00 IDIUse=3 WtCom= 4.33D-01 WtEn= 5.67D-01 EnCoef did 4 forward-backward iterations Coeff-Com: 0.750D-01 0.749D-02 0.196D-01-0.863D-02-0.548D-01 0.351D+00 Coeff-Com: 0.225D+00 0.385D+00 Coeff-En: 0.293D-01 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.482D+00 Coeff-En: 0.158D+00 0.330D+00 Coeff: 0.491D-01 0.324D-02 0.848D-02-0.373D-02-0.237D-01 0.426D+00 Coeff: 0.187D+00 0.354D+00 Gap= -0.231 Goal= None Shift= 0.000 RMSDP=3.01D-03 MaxDP=3.22D-01 DE=-2.74D+00 OVMax= 9.31D-01 Cycle 9 Pass 1 IDiag 1: RMSU= 2.02D-03 CP: 9.32D-01 1.13D-01 3.14D-01 3.89D-01 6.39D-01 CP: 9.33D-01 3.34D-01 4.50D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.10674891028 Delta-E= -1.600806056187 Rises=F Damp=F DIIS: error= 4.55D-02 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -3800.10674891028 IErMin= 9 ErrMin= 4.55D-02 ErrMax= 4.55D-02 EMaxC= 1.00D-01 BMatC= 7.75D-01 BMatP= 1.01D+00 IDIUse=3 WtCom= 5.45D-01 WtEn= 4.55D-01 EnCoef did 3 forward-backward iterations Coeff-Com: -0.365D-01 0.897D-01 0.405D-02 0.213D-01 0.828D-02 0.198D+00 Coeff-Com: 0.113D+00 0.245D+00 0.357D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.138D+00 Coeff-En: 0.610D-01 0.212D+00 0.589D+00 Coeff: -0.199D-01 0.489D-01 0.221D-02 0.116D-01 0.451D-02 0.171D+00 Coeff: 0.892D-01 0.230D+00 0.463D+00 Gap= 0.120 Goal= None Shift= 0.000 RMSDP=2.75D-03 MaxDP=2.14D-01 DE=-1.60D+00 OVMax= 7.68D-01 Cycle 10 Pass 1 IDiag 1: RMSU= 2.03D-03 CP: 9.27D-01 1.02D-01 3.94D-01 4.03D-01 5.52D-01 CP: 7.72D-01 1.96D-01 2.88D-01 3.51D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.52825031760 Delta-E= -0.421501407320 Rises=F Damp=F DIIS: error= 3.39D-02 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -3800.52825031760 IErMin=10 ErrMin= 3.39D-02 ErrMax= 3.39D-02 EMaxC= 1.00D-01 BMatC= 3.11D-01 BMatP= 7.75D-01 IDIUse=3 WtCom= 6.61D-01 WtEn= 3.39D-01 EnCoef did 2 forward-backward iterations Coeff-Com: 0.269D-02 0.244D-01 0.666D-02-0.107D-02 0.568D-02 0.504D-01 Coeff-Com: 0.766D-01 0.202D+00 0.233D+00 0.399D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.124D+00 0.239D+00 0.638D+00 Coeff: 0.178D-02 0.161D-01 0.440D-02-0.710D-03 0.375D-02 0.333D-01 Coeff: 0.506D-01 0.176D+00 0.235D+00 0.480D+00 Gap= -0.031 Goal= None Shift= 0.000 RMSDP=2.10D-03 MaxDP=1.88D-01 DE=-4.22D-01 OVMax= 8.08D-01 Cycle 11 Pass 1 IDiag 1: RMSU= 1.82D-03 CP: 9.28D-01 1.05D-01 3.66D-01 4.28D-01 5.57D-01 CP: 7.47D-01 2.40D-01 3.71D-01 4.06D-01 5.37D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.48618657597 Delta-E= 0.042063741632 Rises=F Damp=F DIIS: error= 2.84D-02 at cycle 11 NSaved= 11. NSaved=11 IEnMin=10 EnMin= -3800.52825031760 IErMin=11 ErrMin= 2.84D-02 ErrMax= 2.84D-02 EMaxC= 1.00D-01 BMatC= 3.01D-01 BMatP= 3.11D-01 IDIUse=3 WtCom= 7.16D-01 WtEn= 2.84D-01 EnCoef did 2 forward-backward iterations Coeff-Com: 0.187D-01-0.147D-01 0.412D-02 0.119D-02-0.105D-01-0.559D-01 Coeff-Com: -0.148D-01 0.191D+00 0.133D+00 0.412D+00 0.335D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.911D-01 0.120D+00 0.416D+00 0.373D+00 Coeff: 0.134D-01-0.105D-01 0.295D-02 0.854D-03-0.751D-02-0.400D-01 Coeff: -0.106D-01 0.163D+00 0.129D+00 0.413D+00 0.346D+00 Gap= 0.151 Goal= None Shift= 0.000 RMSDP=2.10D-03 MaxDP=1.91D-01 DE= 4.21D-02 OVMax= 9.99D-01 Cycle 12 Pass 1 IDiag 1: RMSU= 1.44D-03 CP: 9.26D-01 9.60D-02 3.69D-01 3.96D-01 5.91D-01 CP: 7.36D-01 2.02D-01 4.84D-01 6.39D-01 6.12D-01 CP: 2.47D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.77929337692 Delta-E= -0.293106800957 Rises=F Damp=F DIIS: error= 2.04D-02 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -3800.77929337692 IErMin=12 ErrMin= 2.04D-02 ErrMax= 2.04D-02 EMaxC= 1.00D-01 BMatC= 9.97D-02 BMatP= 3.01D-01 IDIUse=3 WtCom= 7.96D-01 WtEn= 2.04D-01 EnCoef did 2 forward-backward iterations Coeff-Com: -0.218D-02 0.128D-01 0.224D-02 0.837D-02-0.154D-01-0.542D-01 Coeff-Com: 0.139D-01 0.130D+00 0.339D-01 0.264D+00 0.236D+00 0.371D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.542D-01 0.238D+00 0.708D+00 Coeff: -0.174D-02 0.102D-01 0.178D-02 0.667D-02-0.123D-01-0.432D-01 Coeff: 0.110D-01 0.104D+00 0.270D-01 0.221D+00 0.236D+00 0.439D+00 Gap= 0.052 Goal= None Shift= 0.000 RMSDP=9.14D-04 MaxDP=1.01D-01 DE=-2.93D-01 OVMax= 2.90D-01 Cycle 13 Pass 1 IDiag 1: RMSU= 6.92D-04 CP: 9.27D-01 1.01D-01 3.71D-01 4.13D-01 5.66D-01 CP: 7.30D-01 2.15D-01 4.69D-01 5.34D-01 8.00D-01 CP: 1.71D-01 7.71D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.88125055765 Delta-E= -0.101957180723 Rises=F Damp=F DIIS: error= 1.56D-02 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -3800.88125055765 IErMin=13 ErrMin= 1.56D-02 ErrMax= 1.56D-02 EMaxC= 1.00D-01 BMatC= 2.86D-02 BMatP= 9.97D-02 IDIUse=3 WtCom= 8.44D-01 WtEn= 1.56D-01 Coeff-Com: 0.573D-02-0.160D-02-0.125D-02 0.518D-02 0.470D-04-0.256D-01 Coeff-Com: 0.173D-01 0.289D-01-0.357D-01-0.354D-01 0.198D+00 0.778D-01 Coeff-Com: 0.767D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.963D-01 0.000D+00 Coeff-En: 0.904D+00 Coeff: 0.484D-02-0.135D-02-0.105D-02 0.437D-02 0.397D-04-0.216D-01 Coeff: 0.146D-01 0.244D-01-0.302D-01-0.299D-01 0.182D+00 0.657D-01 Coeff: 0.788D+00 Gap= 0.059 Goal= None Shift= 0.000 RMSDP=8.54D-04 MaxDP=8.42D-02 DE=-1.02D-01 OVMax= 3.53D-01 Cycle 14 Pass 1 IDiag 1: RMSU= 5.71D-04 CP: 9.26D-01 1.02D-01 3.64D-01 4.12D-01 5.85D-01 CP: 6.94D-01 2.14D-01 5.43D-01 5.41D-01 6.75D-01 CP: 3.39D-01 1.03D+00 6.89D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.89264005646 Delta-E= -0.011389498814 Rises=F Damp=F DIIS: error= 1.04D-02 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -3800.89264005646 IErMin=14 ErrMin= 1.04D-02 ErrMax= 1.04D-02 EMaxC= 1.00D-01 BMatC= 3.59D-02 BMatP= 2.86D-02 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 4 forward-backward iterations Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.537D-01 0.000D+00 Coeff-En: 0.365D+00 0.581D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.537D-01 0.000D+00 Coeff: 0.365D+00 0.581D+00 Gap= -0.039 Goal= None Shift= 0.000 RMSDP=2.13D-03 MaxDP=1.82D-01 DE=-1.14D-02 OVMax= 8.44D-01 Cycle 15 Pass 1 IDiag 1: RMSU= 8.90D-04 CP: 9.29D-01 1.15D-01 3.60D-01 4.61D-01 5.19D-01 CP: 7.09D-01 2.63D-01 3.87D-01 4.09D-01 6.43D-01 CP: 9.97D-01 1.21D-01 8.13D-01 5.95D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.50312825019 Delta-E= 0.389511806272 Rises=F Damp=F DIIS: error= 2.82D-02 at cycle 15 NSaved= 15. NSaved=15 IEnMin=14 EnMin= -3800.89264005646 IErMin=14 ErrMin= 1.04D-02 ErrMax= 2.82D-02 EMaxC= 1.00D-01 BMatC= 2.62D-01 BMatP= 2.86D-02 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 1 forward-backward iterations Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.192D+00 0.656D+00 0.152D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.192D+00 0.656D+00 0.152D+00 Gap= 0.024 Goal= None Shift= 0.000 RMSDP=1.97D-03 MaxDP=1.76D-01 DE= 3.90D-01 OVMax= 9.93D-01 Cycle 16 Pass 1 IDiag 1: RMSU= 5.59D-04 CP: 9.28D-01 1.10D-01 3.61D-01 4.45D-01 5.40D-01 CP: 7.04D-01 2.44D-01 4.37D-01 4.47D-01 9.62D-01 CP: 1.97D-01 5.35D-01 1.42D+00 7.06D-01 2.81D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.79089260580 Delta-E= -0.287764355609 Rises=F Damp=F DIIS: error= 2.50D-02 at cycle 16 NSaved= 16. NSaved=16 IEnMin=14 EnMin= -3800.89264005646 IErMin=14 ErrMin= 1.04D-02 ErrMax= 2.50D-02 EMaxC= 1.00D-01 BMatC= 1.05D-01 BMatP= 2.86D-02 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 1 forward-backward iterations Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.672D+00 0.113D+00 0.215D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.000D+00 0.672D+00 0.113D+00 0.215D+00 Gap= -0.000 Goal= None Shift= 0.000 RMSDP=9.71D-04 MaxDP=6.50D-02 DE=-2.88D-01 OVMax= 4.37D-01 Cycle 17 Pass 1 IDiag 1: RMSU= 4.83D-04 CP: 9.27D-01 1.07D-01 3.62D-01 4.26D-01 5.68D-01 CP: 6.99D-01 2.21D-01 4.99D-01 4.80D-01 7.65D-01 CP: 3.65D-01 8.43D-01 1.24D+00 1.21D+00 2.47D-01 CP: 4.86D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.95117174364 Delta-E= -0.160279137843 Rises=F Damp=F DIIS: error= 3.02D-03 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -3800.95117174364 IErMin=17 ErrMin= 3.02D-03 ErrMax= 3.02D-03 EMaxC= 1.00D-01 BMatC= 1.44D-03 BMatP= 2.86D-02 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.02D-02 Coeff-Com: 0.509D-02-0.579D-02 0.104D-02-0.498D-03-0.249D-02 0.254D-02 Coeff-Com: -0.372D-02-0.284D-02 0.498D-02 0.244D-01-0.390D-01 0.712D-01 Coeff-Com: -0.111D+00 0.779D-01 0.859D-01 0.317D-01 0.861D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.494D-02-0.562D-02 0.100D-02-0.483D-03-0.242D-02 0.246D-02 Coeff: -0.360D-02-0.275D-02 0.483D-02 0.237D-01-0.379D-01 0.691D-01 Coeff: -0.108D+00 0.756D-01 0.833D-01 0.307D-01 0.865D+00 Gap= 0.041 Goal= None Shift= 0.000 RMSDP=3.90D-04 MaxDP=1.74D-02 DE=-1.60D-01 OVMax= 1.45D-01 Cycle 18 Pass 1 IDiag 1: RMSU= 1.67D-04 CP: 9.27D-01 1.06D-01 3.62D-01 4.26D-01 5.64D-01 CP: 6.98D-01 2.19D-01 4.98D-01 4.65D-01 7.32D-01 CP: 4.62D-01 7.80D-01 1.11D+00 1.40D+00 3.77D-01 CP: 5.51D-01 1.44D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.95756014638 Delta-E= -0.006388402737 Rises=F Damp=F DIIS: error= 3.32D-03 at cycle 18 NSaved= 18. NSaved=18 IEnMin=18 EnMin= -3800.95756014638 IErMin=17 ErrMin= 3.02D-03 ErrMax= 3.32D-03 EMaxC= 1.00D-01 BMatC= 2.33D-03 BMatP= 1.44D-03 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.02D-02 Coeff-Com: 0.366D-02-0.424D-02 0.351D-03-0.700D-03-0.895D-03 0.122D-02 Coeff-Com: -0.741D-03-0.267D-02 0.568D-02 0.884D-02-0.526D-01 0.840D-01 Coeff-Com: 0.394D-01-0.106D+00 0.213D-01 0.548D-02 0.168D+00 0.830D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.355D-02-0.411D-02 0.340D-03-0.679D-03-0.868D-03 0.118D-02 Coeff: -0.719D-03-0.259D-02 0.551D-02 0.858D-02-0.510D-01 0.814D-01 Coeff: 0.382D-01-0.103D+00 0.206D-01 0.532D-02 0.163D+00 0.835D+00 Gap= 0.062 Goal= None Shift= 0.000 RMSDP=1.49D-04 MaxDP=7.11D-03 DE=-6.39D-03 OVMax= 5.35D-02 Cycle 19 Pass 1 IDiag 1: RMSU= 7.41D-05 CP: 9.27D-01 1.05D-01 3.62D-01 4.26D-01 5.62D-01 CP: 6.99D-01 2.19D-01 4.96D-01 4.61D-01 7.21D-01 CP: 4.83D-01 7.39D-01 1.10D+00 1.37D+00 4.35D-01 CP: 5.96D-01 1.54D+00 1.42D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.95784842211 Delta-E= -0.000288275729 Rises=F Damp=F DIIS: error= 3.61D-03 at cycle 19 NSaved= 19. NSaved=19 IEnMin=19 EnMin= -3800.95784842211 IErMin=17 ErrMin= 3.02D-03 ErrMax= 3.61D-03 EMaxC= 1.00D-01 BMatC= 2.91D-03 BMatP= 1.44D-03 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.02D-02 Coeff-Com: 0.368D-02-0.427D-02 0.364D-03-0.662D-03-0.107D-02 0.135D-02 Coeff-Com: -0.723D-03-0.226D-02 0.575D-02 0.101D-01-0.498D-01 0.714D-01 Coeff-Com: 0.257D-01-0.651D-01 0.158D-01 0.732D-02 0.190D+00 0.491D+00 Coeff-Com: 0.301D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.100D+01 Coeff: 0.357D-02-0.414D-02 0.353D-03-0.642D-03-0.104D-02 0.130D-02 Coeff: -0.701D-03-0.219D-02 0.558D-02 0.976D-02-0.483D-01 0.692D-01 Coeff: 0.249D-01-0.631D-01 0.153D-01 0.710D-02 0.185D+00 0.476D+00 Coeff: 0.322D+00 Gap= 0.063 Goal= None Shift= 0.000 RMSDP=2.76D-05 MaxDP=1.59D-03 DE=-2.88D-04 OVMax= 5.36D-03 Cycle 20 Pass 1 IDiag 1: Restarting incremental Fock formation. PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.95867639673 Delta-E= -0.000827974629 Rises=F Damp=F DIIS: error= 3.21D-03 at cycle 20 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.95867639673 IErMin=17 ErrMin= 3.02D-03 ErrMax= 3.21D-03 EMaxC= 1.00D-01 BMatC= 2.38D-03 BMatP= 1.44D-03 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.02D-02 Matrix for removal 4 Erem= -3775.71556793151 Crem= 0.000D+00 Coeff-Com: 0.124D-02-0.154D-02 0.123D-03-0.470D-03-0.662D-03 0.748D-03 Coeff-Com: 0.275D-03-0.309D-02 0.419D-02 0.809D-02-0.105D-01 0.160D-01 Coeff-Com: -0.665D-01 0.211D-01 0.190D-01 0.238D-02 0.405D+00-0.143D+01 Coeff-Com: -0.725D+01 0.929D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: 0.120D-02-0.149D-02 0.120D-03-0.455D-03-0.642D-03 0.726D-03 Coeff: 0.266D-03-0.300D-02 0.406D-02 0.784D-02-0.102D-01 0.155D-01 Coeff: -0.645D-01 0.204D-01 0.184D-01 0.231D-02 0.393D+00-0.139D+01 Coeff: -0.704D+01 0.904D+01 Gap= 0.069 Goal= None Shift= 0.000 RMSDP=3.18D-04 MaxDP=1.53D-02 DE=-8.28D-04 OVMax= 5.80D-02 Cycle 21 Pass 1 IDiag 1: RMSU= 3.18D-04 CP: 9.99D-01 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96311583343 Delta-E= -0.004439436696 Rises=F Damp=F DIIS: error= 8.89D-04 at cycle 21 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96311583343 IErMin=20 ErrMin= 8.89D-04 ErrMax= 8.89D-04 EMaxC= 1.00D-01 BMatC= 3.07D-04 BMatP= 1.44D-03 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.89D-03 Matrix for removal 3 Erem= -3779.68572496561 Crem= 0.000D+00 Coeff-Com: 0.615D-03-0.893D-03-0.153D-03-0.293D-03 0.300D-03-0.194D-04 Coeff-Com: -0.220D-02 0.379D-02 0.167D-02-0.746D-02 0.170D-01-0.181D-01 Coeff-Com: -0.343D-01 0.165D-01 0.497D-02 0.687D-01-0.577D+00-0.240D+01 Coeff-Com: 0.319D+01 0.731D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: 0.610D-03-0.885D-03-0.152D-03-0.290D-03 0.297D-03-0.192D-04 Coeff: -0.218D-02 0.376D-02 0.166D-02-0.739D-02 0.168D-01-0.179D-01 Coeff: -0.340D-01 0.164D-01 0.493D-02 0.681D-01-0.572D+00-0.237D+01 Coeff: 0.316D+01 0.734D+00 Gap= 0.068 Goal= None Shift= 0.000 RMSDP=8.02D-05 MaxDP=3.58D-03 DE=-4.44D-03 OVMax= 2.26D-02 Cycle 22 Pass 1 IDiag 1: RMSU= 5.25D-05 CP: 9.99D-01 1.19D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96356669827 Delta-E= -0.000450864838 Rises=F Damp=F DIIS: error= 9.05D-04 at cycle 22 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96356669827 IErMin=19 ErrMin= 8.89D-04 ErrMax= 9.05D-04 EMaxC= 1.00D-01 BMatC= 2.46D-04 BMatP= 3.07D-04 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.89D-03 Matrix for removal 1 Erem= -3787.93073291164 Crem= 0.000D+00 Coeff-Com: 0.448D-03-0.596D-03-0.385D-03 0.391D-03 0.213D-03-0.101D-02 Coeff-Com: 0.216D-02 0.769D-05-0.719D-02 0.991D-02 0.301D-02-0.329D-01 Coeff-Com: 0.989D-02 0.851D-02-0.701D-01 0.486D-01 0.139D+01-0.140D+01 Coeff-Com: -0.104D+00 0.114D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: 0.444D-03-0.591D-03-0.382D-03 0.388D-03 0.211D-03-0.100D-02 Coeff: 0.214D-02 0.763D-05-0.713D-02 0.982D-02 0.298D-02-0.326D-01 Coeff: 0.980D-02 0.844D-02-0.695D-01 0.482D-01 0.138D+01-0.138D+01 Coeff: -0.103D+00 0.114D+01 Gap= 0.067 Goal= None Shift= 0.000 RMSDP=6.05D-05 MaxDP=2.78D-03 DE=-4.51D-04 OVMax= 1.60D-02 Cycle 23 Pass 1 IDiag 1: RMSU= 2.72D-05 CP: 1.00D+00 1.23D+00 1.99D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96397422660 Delta-E= -0.000407528336 Rises=F Damp=F DIIS: error= 5.48D-04 at cycle 23 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96397422660 IErMin=20 ErrMin= 5.48D-04 ErrMax= 5.48D-04 EMaxC= 1.00D-01 BMatC= 9.30D-05 BMatP= 2.46D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.48D-03 Matrix for removal 2 Erem= -3790.45327339808 Crem= 0.000D+00 Coeff-Com: -0.783D-04-0.637D-04-0.215D-04 0.284D-03-0.335D-03 0.302D-03 Coeff-Com: 0.121D-02-0.967D-03-0.204D-02-0.772D-02 0.836D-02 0.133D-02 Coeff-Com: 0.524D-02 0.201D-01-0.395D-01 0.407D+00-0.355D+00-0.526D+00 Coeff-Com: -0.262D+00 0.175D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.779D-04-0.634D-04-0.214D-04 0.283D-03-0.333D-03 0.300D-03 Coeff: 0.120D-02-0.962D-03-0.203D-02-0.768D-02 0.831D-02 0.132D-02 Coeff: 0.521D-02 0.200D-01-0.393D-01 0.404D+00-0.353D+00-0.523D+00 Coeff: -0.261D+00 0.175D+01 Gap= 0.067 Goal= None Shift= 0.000 RMSDP=8.62D-05 MaxDP=4.84D-03 DE=-4.08D-04 OVMax= 2.45D-02 Cycle 24 Pass 1 IDiag 1: RMSU= 2.47D-05 CP: 1.00D+00 1.32D+00 3.00D+00 2.48D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96430351787 Delta-E= -0.000329291262 Rises=F Damp=F DIIS: error= 2.53D-04 at cycle 24 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96430351787 IErMin=20 ErrMin= 2.53D-04 ErrMax= 2.53D-04 EMaxC= 1.00D-01 BMatC= 2.29D-05 BMatP= 9.30D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.53D-03 Matrix for removal 1 Erem= -3791.50172608185 Crem= 0.000D+00 Coeff-Com: -0.358D-04-0.993D-04 0.210D-03 0.258D-04-0.359D-03 0.126D-02 Coeff-Com: -0.190D-03-0.942D-03-0.834D-02 0.785D-02 0.937D-04 0.290D-02 Coeff-Com: 0.338D-01-0.132D+00-0.705D+00 0.902D+00-0.291D-01-0.444D+00 Coeff-Com: 0.249D+00 0.112D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.357D-04-0.991D-04 0.209D-03 0.257D-04-0.358D-03 0.126D-02 Coeff: -0.189D-03-0.939D-03-0.832D-02 0.783D-02 0.935D-04 0.290D-02 Coeff: 0.337D-01-0.132D+00-0.703D+00 0.900D+00-0.290D-01-0.443D+00 Coeff: 0.248D+00 0.112D+01 Gap= 0.067 Goal= None Shift= 0.000 RMSDP=3.66D-05 MaxDP=2.63D-03 DE=-3.29D-04 OVMax= 7.91D-03 Cycle 25 Pass 1 IDiag 1: RMSU= 1.83D-05 CP: 1.00D+00 1.33D+00 3.00D+00 3.00D+00 2.03D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96440602652 Delta-E= -0.000102508653 Rises=F Damp=F DIIS: error= 1.25D-04 at cycle 25 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96440602652 IErMin=20 ErrMin= 1.25D-04 ErrMax= 1.25D-04 EMaxC= 1.00D-01 BMatC= 5.60D-06 BMatP= 2.29D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.25D-03 Matrix for removal 2 Erem= -3795.76503203817 Crem= 0.000D+00 Coeff-Com: -0.126D-03 0.148D-03 0.200D-03-0.459D-03 0.928D-03-0.148D-02 Coeff-Com: 0.877D-03-0.159D-02 0.464D-03 0.461D-03 0.168D-02-0.111D-01 Coeff-Com: -0.225D-01-0.425D+00 0.480D+00 0.318D+00 0.455D-01-0.986D+00 Coeff-Com: 0.119D+00 0.148D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.126D-03 0.148D-03 0.200D-03-0.458D-03 0.927D-03-0.148D-02 Coeff: 0.876D-03-0.159D-02 0.464D-03 0.460D-03 0.168D-02-0.111D-01 Coeff: -0.225D-01-0.425D+00 0.479D+00 0.317D+00 0.454D-01-0.985D+00 Coeff: 0.119D+00 0.148D+01 Gap= 0.067 Goal= None Shift= 0.000 RMSDP=3.98D-05 MaxDP=3.25D-03 DE=-1.03D-04 OVMax= 8.38D-03 Cycle 26 Pass 1 IDiag 1: RMSU= 1.79D-05 CP: 1.00D+00 1.34D+00 3.00D+00 3.00D+00 3.00D+00 CP: 2.13D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96447907344 Delta-E= -0.000073046922 Rises=F Damp=F DIIS: error= 1.21D-04 at cycle 26 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96447907344 IErMin=20 ErrMin= 1.21D-04 ErrMax= 1.21D-04 EMaxC= 1.00D-01 BMatC= 3.96D-06 BMatP= 5.60D-06 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.21D-03 Matrix for removal 2 Erem= -3798.50594285409 Crem= 0.000D+00 Coeff-Com: -0.397D-04 0.935D-04-0.323D-04 0.393D-03-0.216D-02 0.249D-02 Coeff-Com: 0.150D-02-0.169D-02 0.103D-02 0.299D-02-0.353D-01 0.132D+00 Coeff-Com: 0.605D+00-0.800D+00 0.424D-01 0.317D+00-0.236D+00-0.630D+00 Coeff-Com: 0.145D+00 0.146D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.396D-04 0.934D-04-0.322D-04 0.393D-03-0.216D-02 0.248D-02 Coeff: 0.150D-02-0.169D-02 0.103D-02 0.299D-02-0.352D-01 0.132D+00 Coeff: 0.604D+00-0.799D+00 0.423D-01 0.317D+00-0.236D+00-0.630D+00 Coeff: 0.145D+00 0.146D+01 Gap= 0.067 Goal= None Shift= 0.000 RMSDP=3.52D-05 MaxDP=3.05D-03 DE=-7.30D-05 OVMax= 7.49D-03 Cycle 27 Pass 1 IDiag 1: RMSU= 2.04D-05 CP: 1.00D+00 1.36D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 2.24D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96452306905 Delta-E= -0.000043995613 Rises=F Damp=F DIIS: error= 1.17D-04 at cycle 27 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96452306905 IErMin=20 ErrMin= 1.17D-04 ErrMax= 1.17D-04 EMaxC= 1.00D-01 BMatC= 4.28D-06 BMatP= 3.96D-06 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.17D-03 Matrix for removal 1 Erem= -3798.83406084613 Crem= 0.000D+00 Coeff-Com: -0.860D-04 0.697D-04 0.326D-03-0.848D-03 0.425D-02-0.345D-03 Coeff-Com: -0.383D-02-0.740D-05 0.216D-02-0.880D-02 0.828D-01 0.463D+00 Coeff-Com: -0.603D+00-0.123D+00 0.860D-01 0.382D+00-0.204D+00-0.616D+00 Coeff-Com: 0.276D+00 0.126D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.859D-04 0.696D-04 0.325D-03-0.847D-03 0.424D-02-0.345D-03 Coeff: -0.382D-02-0.739D-05 0.216D-02-0.879D-02 0.827D-01 0.463D+00 Coeff: -0.603D+00-0.123D+00 0.859D-01 0.381D+00-0.204D+00-0.615D+00 Coeff: 0.276D+00 0.126D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=2.45D-05 MaxDP=2.14D-03 DE=-4.40D-05 OVMax= 4.88D-03 Cycle 28 Pass 1 IDiag 1: RMSU= 1.15D-05 CP: 1.00D+00 1.39D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 1.70D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96454574911 Delta-E= -0.000022680055 Rises=F Damp=F DIIS: error= 1.11D-04 at cycle 28 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96454574911 IErMin=20 ErrMin= 1.11D-04 ErrMax= 1.11D-04 EMaxC= 1.00D-01 BMatC= 2.49D-06 BMatP= 3.96D-06 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.11D-03 Matrix for removal 1 Erem= -3800.10674891028 Crem= 0.000D+00 Coeff-Com: 0.132D-03 0.214D-03-0.740D-03 0.408D-02-0.165D-02-0.386D-02 Coeff-Com: 0.641D-04 0.143D-02-0.801D-03 0.174D-01 0.338D-01-0.575D-01 Coeff-Com: 0.508D-02-0.174D-01 0.115D-01 0.121D+00 0.562D-03-0.410D+00 Coeff-Com: 0.852D-01 0.121D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: 0.132D-03 0.214D-03-0.739D-03 0.407D-02-0.164D-02-0.385D-02 Coeff: 0.640D-04 0.143D-02-0.800D-03 0.174D-01 0.338D-01-0.574D-01 Coeff: 0.508D-02-0.174D-01 0.115D-01 0.121D+00 0.561D-03-0.409D+00 Coeff: 0.851D-01 0.121D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.19D-05 MaxDP=9.39D-04 DE=-2.27D-05 OVMax= 2.00D-03 Cycle 29 Pass 1 IDiag 1: RMSU= 6.81D-06 CP: 1.00D+00 1.40D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 2.00D+00 1.62D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96455445361 Delta-E= -0.000008704501 Rises=F Damp=F DIIS: error= 1.06D-04 at cycle 29 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96455445361 IErMin=20 ErrMin= 1.06D-04 ErrMax= 1.06D-04 EMaxC= 1.00D-01 BMatC= 2.21D-06 BMatP= 2.49D-06 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.06D-03 Matrix for removal 2 Erem= -3800.48618657597 Crem= 0.000D+00 Coeff-Com: -0.379D-03 0.672D-04 0.140D-02 0.696D-03-0.140D-02-0.213D-03 Coeff-Com: 0.459D-03-0.130D-01 0.283D-01 0.130D-01-0.403D-01 0.117D+00 Coeff-Com: 0.913D-01-0.377D+00-0.114D-01 0.505D+00-0.214D-01-0.839D+00 Coeff-Com: -0.184D+00 0.173D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.379D-03 0.671D-04 0.140D-02 0.695D-03-0.140D-02-0.213D-03 Coeff: 0.459D-03-0.130D-01 0.282D-01 0.130D-01-0.403D-01 0.117D+00 Coeff: 0.912D-01-0.377D+00-0.114D-01 0.505D+00-0.213D-01-0.838D+00 Coeff: -0.183D+00 0.173D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.16D-05 MaxDP=9.27D-04 DE=-8.70D-06 OVMax= 1.95D-03 Cycle 30 Pass 1 IDiag 1: RMSU= 5.55D-06 CP: 1.00D+00 1.40D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 2.18D+00 2.03D+00 2.15D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96456456210 Delta-E= -0.000010108492 Rises=F Damp=F DIIS: error= 9.68D-05 at cycle 30 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96456456210 IErMin=20 ErrMin= 9.68D-05 ErrMax= 9.68D-05 EMaxC= 1.00D-01 BMatC= 6.17D-07 BMatP= 2.21D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.237D-03-0.602D-03 0.181D-02 0.519D-03 0.105D-03-0.795D-03 Coeff-Com: -0.101D-01 0.374D-01 0.179D+00-0.228D+00 0.401D-02 0.721D-01 Coeff-Com: -0.379D-01-0.116D+00-0.545D-01 0.334D+00 0.165D-01-0.612D+00 Coeff-Com: -0.124D+00 0.154D+01 Coeff: -0.237D-03-0.602D-03 0.181D-02 0.519D-03 0.105D-03-0.795D-03 Coeff: -0.101D-01 0.374D-01 0.179D+00-0.228D+00 0.401D-02 0.721D-01 Coeff: -0.379D-01-0.116D+00-0.545D-01 0.334D+00 0.165D-01-0.612D+00 Coeff: -0.124D+00 0.154D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=9.39D-06 MaxDP=8.80D-04 DE=-1.01D-05 OVMax= 1.99D-03 Cycle 31 Pass 1 IDiag 1: RMSU= 2.93D-06 CP: 1.00D+00 1.40D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 2.32D+00 2.28D+00 3.00D+00 CP: 1.84D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96457132004 Delta-E= -0.000006757939 Rises=F Damp=F DIIS: error= 8.86D-05 at cycle 31 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96457132004 IErMin=20 ErrMin= 8.86D-05 ErrMax= 8.86D-05 EMaxC= 1.00D-01 BMatC= 4.16D-07 BMatP= 6.17D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.674D-04-0.196D-03 0.205D-03-0.557D-03-0.861D-03 0.674D-02 Coeff-Com: -0.171D-01-0.114D-01 0.360D-01-0.529D-01-0.727D-01 0.179D+00 Coeff-Com: 0.681D-01-0.308D+00-0.312D-02 0.455D+00 0.117D+00-0.976D+00 Coeff-Com: -0.392D-01 0.162D+01 Coeff: 0.674D-04-0.196D-03 0.205D-03-0.557D-03-0.861D-03 0.674D-02 Coeff: -0.171D-01-0.114D-01 0.360D-01-0.529D-01-0.727D-01 0.179D+00 Coeff: 0.681D-01-0.308D+00-0.312D-02 0.455D+00 0.117D+00-0.976D+00 Coeff: -0.392D-01 0.162D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.09D-05 MaxDP=1.06D-03 DE=-6.76D-06 OVMax= 2.68D-03 Cycle 32 Pass 1 IDiag 1: RMSU= 5.16D-06 CP: 1.00D+00 1.40D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 2.51D+00 2.66D+00 3.00D+00 CP: 2.52D+00 3.00D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96457838446 Delta-E= -0.000007064416 Rises=F Damp=F DIIS: error= 7.81D-05 at cycle 32 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96457838446 IErMin=20 ErrMin= 7.81D-05 ErrMax= 7.81D-05 EMaxC= 1.00D-01 BMatC= 2.86D-07 BMatP= 4.16D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.791D-04-0.307D-04-0.463D-03 0.663D-03 0.247D-03-0.194D-01 Coeff-Com: -0.104D+00 0.137D+00 0.585D-01-0.385D-02-0.175D+00 0.789D-01 Coeff-Com: 0.252D+00-0.189D+00-0.320D+00-0.490D-01 0.765D+00-0.110D+01 Coeff-Com: -0.422D+00 0.209D+01 Coeff: 0.791D-04-0.307D-04-0.463D-03 0.663D-03 0.247D-03-0.194D-01 Coeff: -0.104D+00 0.137D+00 0.585D-01-0.385D-02-0.175D+00 0.789D-01 Coeff: 0.252D+00-0.189D+00-0.320D+00-0.490D-01 0.765D+00-0.110D+01 Coeff: -0.422D+00 0.209D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.86D-05 MaxDP=1.88D-03 DE=-7.06D-06 OVMax= 4.73D-03 Cycle 33 Pass 1 IDiag 1: RMSU= 1.13D-05 CP: 1.00D+00 1.39D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 2.83D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 2.92D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96458801502 Delta-E= -0.000009630567 Rises=F Damp=F DIIS: error= 5.96D-05 at cycle 33 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96458801502 IErMin=20 ErrMin= 5.96D-05 ErrMax= 5.96D-05 EMaxC= 1.00D-01 BMatC= 2.32D-07 BMatP= 2.86D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.333D-04 0.140D-03 0.130D-02-0.291D-02 0.562D-02-0.285D-01 Coeff-Com: 0.150D-01 0.656D-01 0.550D-01-0.199D+00 0.130D-01 0.276D+00 Coeff-Com: -0.911D-01-0.319D+00-0.217D+00 0.114D+01-0.162D+00-0.188D+01 Coeff-Com: 0.711D+00 0.162D+01 Coeff: -0.333D-04 0.140D-03 0.130D-02-0.291D-02 0.562D-02-0.285D-01 Coeff: 0.150D-01 0.656D-01 0.550D-01-0.199D+00 0.130D-01 0.276D+00 Coeff: -0.911D-01-0.319D+00-0.217D+00 0.114D+01-0.162D+00-0.188D+01 Coeff: 0.711D+00 0.162D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.75D-05 MaxDP=1.86D-03 DE=-9.63D-06 OVMax= 5.09D-03 Cycle 34 Pass 1 IDiag 1: RMSU= 9.04D-06 CP: 1.00D+00 1.39D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.24D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96459548985 Delta-E= -0.000007474828 Rises=F Damp=F DIIS: error= 4.22D-05 at cycle 34 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96459548985 IErMin=20 ErrMin= 4.22D-05 ErrMax= 4.22D-05 EMaxC= 1.00D-01 BMatC= 1.90D-07 BMatP= 2.32D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.596D-03-0.529D-03 0.338D-02 0.782D-02 0.293D-01-0.502D-01 Coeff-Com: -0.193D-01 0.603D-02 0.754D-01 0.173D-02-0.201D+00 0.478D-01 Coeff-Com: 0.303D+00 0.521D-01-0.393D+00 0.100D+01-0.205D+00-0.141D+01 Coeff-Com: -0.101D+00 0.185D+01 Coeff: 0.596D-03-0.529D-03 0.338D-02 0.782D-02 0.293D-01-0.502D-01 Coeff: -0.193D-01 0.603D-02 0.754D-01 0.173D-02-0.201D+00 0.478D-01 Coeff: 0.303D+00 0.521D-01-0.393D+00 0.100D+01-0.205D+00-0.141D+01 Coeff: -0.101D+00 0.185D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.48D-05 MaxDP=1.56D-03 DE=-7.47D-06 OVMax= 4.74D-03 Cycle 35 Pass 1 IDiag 1: RMSU= 5.23D-06 CP: 1.00D+00 1.39D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 1.87D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460068160 Delta-E= -0.000005191749 Rises=F Damp=F DIIS: error= 2.76D-05 at cycle 35 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460068160 IErMin=20 ErrMin= 2.76D-05 ErrMax= 2.76D-05 EMaxC= 1.00D-01 BMatC= 1.04D-07 BMatP= 1.90D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.137D-03 0.212D-02-0.545D-02 0.757D-02-0.257D-02-0.207D-01 Coeff-Com: -0.239D-01 0.755D-01 0.294D-01-0.130D+00 0.209D-01 0.193D+00 Coeff-Com: -0.221D-02-0.408D+00 0.188D+00 0.430D+00-0.170D+00-0.699D+00 Coeff-Com: -0.351D-01 0.155D+01 Coeff: 0.137D-03 0.212D-02-0.545D-02 0.757D-02-0.257D-02-0.207D-01 Coeff: -0.239D-01 0.755D-01 0.294D-01-0.130D+00 0.209D-01 0.193D+00 Coeff: -0.221D-02-0.408D+00 0.188D+00 0.430D+00-0.170D+00-0.699D+00 Coeff: -0.351D-01 0.155D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.24D-05 MaxDP=1.30D-03 DE=-5.19D-06 OVMax= 4.09D-03 Cycle 36 Pass 1 IDiag 1: RMSU= 6.47D-06 CP: 1.00D+00 1.38D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 2.56D+00 CP: 2.62D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460390400 Delta-E= -0.000003222398 Rises=F Damp=F DIIS: error= 1.92D-05 at cycle 36 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460390400 IErMin=20 ErrMin= 1.92D-05 ErrMax= 1.92D-05 EMaxC= 1.00D-01 BMatC= 6.76D-08 BMatP= 1.04D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.105D-02-0.394D-02-0.225D-01 0.340D-01 0.121D-01-0.171D-01 Coeff-Com: -0.392D-01 0.432D-01 0.629D-01-0.626D-01-0.709D-01-0.105D+00 Coeff-Com: 0.263D-01-0.330D+00 0.188D+00 0.777D+00-0.151D+00-0.105D+01 Coeff-Com: 0.399D+00 0.131D+01 Coeff: -0.105D-02-0.394D-02-0.225D-01 0.340D-01 0.121D-01-0.171D-01 Coeff: -0.392D-01 0.432D-01 0.629D-01-0.626D-01-0.709D-01-0.105D+00 Coeff: 0.263D-01-0.330D+00 0.188D+00 0.777D+00-0.151D+00-0.105D+01 Coeff: 0.399D+00 0.131D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=9.38D-06 MaxDP=9.63D-04 DE=-3.22D-06 OVMax= 3.20D-03 Cycle 37 Pass 1 IDiag 1: RMSU= 4.95D-06 CP: 1.00D+00 1.38D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 1.63D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460570571 Delta-E= -0.000001801716 Rises=F Damp=F DIIS: error= 1.58D-05 at cycle 37 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460570571 IErMin=20 ErrMin= 1.58D-05 ErrMax= 1.58D-05 EMaxC= 1.00D-01 BMatC= 4.84D-08 BMatP= 6.76D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.457D-02-0.420D-01 0.500D-01 0.171D-01 0.441D-04-0.532D-01 Coeff-Com: 0.239D-01 0.702D-01-0.500D-01-0.719D-01-0.901D-01 0.169D+00 Coeff-Com: 0.189D-01-0.150D+00 0.237D+00 0.153D+00-0.196D+00-0.607D+00 Coeff-Com: 0.498D-01 0.148D+01 Coeff: -0.457D-02-0.420D-01 0.500D-01 0.171D-01 0.441D-04-0.532D-01 Coeff: 0.239D-01 0.702D-01-0.500D-01-0.719D-01-0.901D-01 0.169D+00 Coeff: 0.189D-01-0.150D+00 0.237D+00 0.153D+00-0.196D+00-0.607D+00 Coeff: 0.498D-01 0.148D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=5.99D-06 MaxDP=4.66D-04 DE=-1.80D-06 OVMax= 2.05D-03 Cycle 38 Pass 1 IDiag 1: RMSU= 3.14D-06 CP: 1.00D+00 1.39D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 1.96D+00 1.92D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460684063 Delta-E= -0.000001134911 Rises=F Damp=F DIIS: error= 1.37D-05 at cycle 38 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460684063 IErMin=20 ErrMin= 1.37D-05 ErrMax= 1.37D-05 EMaxC= 1.00D-01 BMatC= 2.20D-08 BMatP= 4.84D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.682D-02 0.482D-02 0.405D-02 0.690D-02-0.110D-01-0.134D-01 Coeff-Com: -0.969D-02 0.382D-01 0.138D-01 0.322D-05 0.752D-01 0.148D+00 Coeff-Com: -0.125D+00-0.251D+00-0.890D-01 0.471D+00 0.156D-01-0.703D+00 Coeff-Com: -0.598D+00 0.203D+01 Coeff: -0.682D-02 0.482D-02 0.405D-02 0.690D-02-0.110D-01-0.134D-01 Coeff: -0.969D-02 0.382D-01 0.138D-01 0.322D-05 0.752D-01 0.148D+00 Coeff: -0.125D+00-0.251D+00-0.890D-01 0.471D+00 0.156D-01-0.703D+00 Coeff: -0.598D+00 0.203D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=6.30D-06 MaxDP=3.04D-04 DE=-1.13D-06 OVMax= 2.03D-03 Cycle 39 Pass 1 IDiag 1: RMSU= 1.65D-06 CP: 1.00D+00 1.39D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 2.15D+00 2.85D+00 2.15D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460777208 Delta-E= -0.000000931454 Rises=F Damp=F DIIS: error= 1.17D-05 at cycle 39 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460777208 IErMin=20 ErrMin= 1.17D-05 ErrMax= 1.17D-05 EMaxC= 1.00D-01 BMatC= 2.21D-08 BMatP= 2.20D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.179D-02-0.198D-02-0.677D-02 0.806D-02 0.296D-02-0.228D-01 Coeff-Com: 0.271D-01 0.449D-01 0.481D-01-0.598D-01-0.698D-01-0.299D-01 Coeff-Com: -0.820D-01-0.848D-01 0.282D+00 0.434D+00-0.241D+00-0.128D+01 Coeff-Com: 0.648D+00 0.139D+01 Coeff: 0.179D-02-0.198D-02-0.677D-02 0.806D-02 0.296D-02-0.228D-01 Coeff: 0.271D-01 0.449D-01 0.481D-01-0.598D-01-0.698D-01-0.299D-01 Coeff: -0.820D-01-0.848D-01 0.282D+00 0.434D+00-0.241D+00-0.128D+01 Coeff: 0.648D+00 0.139D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=5.06D-06 MaxDP=2.47D-04 DE=-9.31D-07 OVMax= 1.75D-03 Cycle 40 Pass 1 IDiag 1: Restarting incremental Fock formation. PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460833448 Delta-E= -0.000000562402 Rises=F Damp=F DIIS: error= 1.03D-05 at cycle 40 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460833448 IErMin=20 ErrMin= 1.03D-05 ErrMax= 1.03D-05 EMaxC= 1.00D-01 BMatC= 1.32D-08 BMatP= 2.20D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.127D-02 0.273D-03 0.244D-02 0.919D-02-0.704D-02-0.237D-01 Coeff-Com: 0.415D-01 0.518D-01-0.144D-01-0.805D-01-0.893D-01 0.472D-01 Coeff-Com: 0.577D-01 0.740D-01 0.239D-01-0.823D-01-0.178D+00 0.102D+00 Coeff-Com: -0.130D+00 0.120D+01 Coeff: -0.127D-02 0.273D-03 0.244D-02 0.919D-02-0.704D-02-0.237D-01 Coeff: 0.415D-01 0.518D-01-0.144D-01-0.805D-01-0.893D-01 0.472D-01 Coeff: 0.577D-01 0.740D-01 0.239D-01-0.823D-01-0.178D+00 0.102D+00 Coeff: -0.130D+00 0.120D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=2.10D-06 MaxDP=8.13D-05 DE=-5.62D-07 OVMax= 7.22D-04 Cycle 41 Pass 1 IDiag 1: RMSU= 2.10D-06 CP: 1.00D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460851566 Delta-E= -0.000000181175 Rises=F Damp=F DIIS: error= 9.27D-06 at cycle 41 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460851566 IErMin=20 ErrMin= 9.27D-06 ErrMax= 9.27D-06 EMaxC= 1.00D-01 BMatC= 7.85D-09 BMatP= 1.32D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.198D-03-0.103D-02 0.131D-01-0.362D-02-0.447D-01 0.127D-01 Coeff-Com: 0.619D-01-0.178D-01-0.211D-01 0.595D-02 0.446D-01-0.275D-02 Coeff-Com: -0.662D-01-0.477D-01-0.358D-01 0.123D+00 0.307D+00-0.765D+00 Coeff-Com: -0.129D+00 0.157D+01 Coeff: 0.198D-03-0.103D-02 0.131D-01-0.362D-02-0.447D-01 0.127D-01 Coeff: 0.619D-01-0.178D-01-0.211D-01 0.595D-02 0.446D-01-0.275D-02 Coeff: -0.662D-01-0.477D-01-0.358D-01 0.123D+00 0.307D+00-0.765D+00 Coeff: -0.129D+00 0.157D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=2.28D-06 MaxDP=7.50D-05 DE=-1.81D-07 OVMax= 8.37D-04 Cycle 42 Pass 1 IDiag 1: RMSU= 6.25D-07 CP: 1.00D+00 2.05D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460869464 Delta-E= -0.000000178981 Rises=F Damp=F DIIS: error= 8.29D-06 at cycle 42 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460869464 IErMin=20 ErrMin= 8.29D-06 ErrMax= 8.29D-06 EMaxC= 1.00D-01 BMatC= 4.25D-09 BMatP= 7.85D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.795D-03 0.142D-02-0.173D-01 0.431D-02 0.177D-01 0.158D-01 Coeff-Com: -0.603D-01 0.850D-01 0.585D-01-0.106D+00-0.658D-01 0.335D-01 Coeff-Com: 0.130D+00-0.757D-01-0.363D+00 0.511D+00-0.740D-01-0.782D+00 Coeff-Com: 0.451D+00 0.124D+01 Coeff: 0.795D-03 0.142D-02-0.173D-01 0.431D-02 0.177D-01 0.158D-01 Coeff: -0.603D-01 0.850D-01 0.585D-01-0.106D+00-0.658D-01 0.335D-01 Coeff: 0.130D+00-0.757D-01-0.363D+00 0.511D+00-0.740D-01-0.782D+00 Coeff: 0.451D+00 0.124D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=2.05D-06 MaxDP=6.57D-05 DE=-1.79D-07 OVMax= 7.81D-04 Cycle 43 Pass 1 IDiag 1: RMSU= 3.46D-07 CP: 1.00D+00 2.95D+00 2.11D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460883299 Delta-E= -0.000000138349 Rises=F Damp=F DIIS: error= 7.58D-06 at cycle 43 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460883299 IErMin=20 ErrMin= 7.58D-06 ErrMax= 7.58D-06 EMaxC= 1.00D-01 BMatC= 3.57D-09 BMatP= 4.25D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.167D-02-0.120D-01 0.188D-01 0.240D-01-0.232D-01-0.493D-01 Coeff-Com: 0.505D-01 0.223D-01-0.600D-01-0.143D-01 0.360D-01 0.122D+00 Coeff-Com: -0.433D-01-0.348D+00 0.360D+00 0.473D-01-0.156D+00-0.220D+00 Coeff-Com: -0.154D+00 0.140D+01 Coeff: -0.167D-02-0.120D-01 0.188D-01 0.240D-01-0.232D-01-0.493D-01 Coeff: 0.505D-01 0.223D-01-0.600D-01-0.143D-01 0.360D-01 0.122D+00 Coeff: -0.433D-01-0.348D+00 0.360D+00 0.473D-01-0.156D+00-0.220D+00 Coeff: -0.154D+00 0.140D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.38D-06 MaxDP=4.41D-05 DE=-1.38D-07 OVMax= 5.40D-04 Cycle 44 Pass 1 IDiag 1: RMSU= 1.15D-06 CP: 1.00D+00 3.00D+00 2.97D+00 1.83D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460892689 Delta-E= -0.000000093907 Rises=F Damp=F DIIS: error= 6.94D-06 at cycle 44 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460892689 IErMin=20 ErrMin= 6.94D-06 ErrMax= 6.94D-06 EMaxC= 1.00D-01 BMatC= 3.01D-09 BMatP= 3.57D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.159D-02 0.292D-02 0.201D-01-0.201D-01-0.122D-01-0.230D-01 Coeff-Com: -0.331D-03 0.447D-01 0.171D-01-0.374D-01 0.150D-01-0.123D-01 Coeff-Com: -0.848D-02 0.133D+00-0.237D+00 0.422D+00 0.616D-01-0.116D+01 Coeff-Com: -0.334D+00 0.213D+01 Coeff: -0.159D-02 0.292D-02 0.201D-01-0.201D-01-0.122D-01-0.230D-01 Coeff: -0.331D-03 0.447D-01 0.171D-01-0.374D-01 0.150D-01-0.123D-01 Coeff: -0.848D-02 0.133D+00-0.237D+00 0.422D+00 0.616D-01-0.116D+01 Coeff: -0.334D+00 0.213D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=2.19D-06 MaxDP=6.89D-05 DE=-9.39D-08 OVMax= 8.43D-04 Cycle 45 Pass 1 IDiag 1: RMSU= 8.58D-07 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 2.70D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460906320 Delta-E= -0.000000136304 Rises=F Damp=F DIIS: error= 5.93D-06 at cycle 45 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460906320 IErMin=20 ErrMin= 5.93D-06 ErrMax= 5.93D-06 EMaxC= 1.00D-01 BMatC= 2.50D-09 BMatP= 3.01D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.192D-01-0.118D-02 0.241D-01 0.110D-01-0.110D-01 0.424D-01 Coeff-Com: 0.374D-01-0.592D-01-0.124D+00 0.368D-01 0.745D-01 0.111D+00 Coeff-Com: -0.468D-01-0.385D+00 0.505D-01 0.829D+00 0.179D+00-0.236D+01 Coeff-Com: 0.335D+00 0.228D+01 Coeff: -0.192D-01-0.118D-02 0.241D-01 0.110D-01-0.110D-01 0.424D-01 Coeff: 0.374D-01-0.592D-01-0.124D+00 0.368D-01 0.745D-01 0.111D+00 Coeff: -0.468D-01-0.385D+00 0.505D-01 0.829D+00 0.179D+00-0.236D+01 Coeff: 0.335D+00 0.228D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=3.62D-06 MaxDP=1.18D-04 DE=-1.36D-07 OVMax= 1.43D-03 Cycle 46 Pass 1 IDiag 1: RMSU= 2.79D-06 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460925356 Delta-E= -0.000000190361 Rises=F Damp=F DIIS: error= 4.55D-06 at cycle 46 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460925356 IErMin=20 ErrMin= 4.55D-06 ErrMax= 4.55D-06 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 2.50D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.144D-01-0.192D-01 0.292D-01 0.518D-01 0.840D-02-0.168D-01 Coeff-Com: -0.849D-02-0.105D+00 0.954D-02 0.734D-01 0.763D-01-0.443D-01 Coeff-Com: -0.330D+00 0.421D-01 0.530D+00 0.497D+00-0.616D+00-0.856D+00 Coeff-Com: 0.114D+00 0.158D+01 Coeff: -0.144D-01-0.192D-01 0.292D-01 0.518D-01 0.840D-02-0.168D-01 Coeff: -0.849D-02-0.105D+00 0.954D-02 0.734D-01 0.763D-01-0.443D-01 Coeff: -0.330D+00 0.421D-01 0.530D+00 0.497D+00-0.616D+00-0.856D+00 Coeff: 0.114D+00 0.158D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=2.73D-06 MaxDP=9.16D-05 DE=-1.90D-07 OVMax= 1.09D-03 Cycle 47 Pass 1 IDiag 1: RMSU= 1.15D-06 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 1.89D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460936675 Delta-E= -0.000000113188 Rises=F Damp=F DIIS: error= 3.72D-06 at cycle 47 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460936675 IErMin=20 ErrMin= 3.72D-06 ErrMax= 3.72D-06 EMaxC= 1.00D-01 BMatC= 1.68D-09 BMatP= 2.50D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.319D-01-0.181D-02 0.274D-01-0.146D-01 0.370D-01 0.536D-01 Coeff-Com: -0.881D-01-0.587D-01 0.423D-01 0.184D+00-0.108D-01-0.401D+00 Coeff-Com: 0.149D+00 0.302D+00-0.126D+00 0.327D+00 0.626D-01-0.122D+01 Coeff-Com: 0.244D+00 0.153D+01 Coeff: -0.319D-01-0.181D-02 0.274D-01-0.146D-01 0.370D-01 0.536D-01 Coeff: -0.881D-01-0.587D-01 0.423D-01 0.184D+00-0.108D-01-0.401D+00 Coeff: 0.149D+00 0.302D+00-0.126D+00 0.327D+00 0.626D-01-0.122D+01 Coeff: 0.244D+00 0.153D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=2.93D-06 MaxDP=9.44D-05 DE=-1.13D-07 OVMax= 1.15D-03 Cycle 48 Pass 1 IDiag 1: RMSU= 6.10D-07 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 2.80D+00 2.15D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460945961 Delta-E= -0.000000092863 Rises=F Damp=F DIIS: error= 2.59D-06 at cycle 48 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460945961 IErMin=20 ErrMin= 2.59D-06 ErrMax= 2.59D-06 EMaxC= 1.00D-01 BMatC= 1.10D-09 BMatP= 1.68D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.121D-01 0.154D-02-0.489D-03 0.209D-01 0.399D-02-0.349D-01 Coeff-Com: 0.363D-01-0.834D-02-0.268D-01 0.103D+00-0.104D+00 0.410D-01 Coeff-Com: -0.213D-01-0.300D+00 0.126D+00 0.658D+00-0.320D+00-0.908D+00 Coeff-Com: 0.297D+00 0.145D+01 Coeff: -0.121D-01 0.154D-02-0.489D-03 0.209D-01 0.399D-02-0.349D-01 Coeff: 0.363D-01-0.834D-02-0.268D-01 0.103D+00-0.104D+00 0.410D-01 Coeff: -0.213D-01-0.300D+00 0.126D+00 0.658D+00-0.320D+00-0.908D+00 Coeff: 0.297D+00 0.145D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=2.31D-06 MaxDP=7.78D-05 DE=-9.29D-08 OVMax= 9.26D-04 Cycle 49 Pass 1 IDiag 1: RMSU= 1.49D-06 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 1.50D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460951255 Delta-E= -0.000000052944 Rises=F Damp=F DIIS: error= 1.76D-06 at cycle 49 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460951255 IErMin=20 ErrMin= 1.76D-06 ErrMax= 1.76D-06 EMaxC= 1.00D-01 BMatC= 5.09D-10 BMatP= 1.10D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.329D-01-0.483D-03 0.660D-01 0.885D-02-0.849D-01 0.174D-01 Coeff-Com: 0.445D-01 0.162D-01 0.315D-02-0.768D-01 0.126D+00-0.380D-01 Coeff-Com: -0.229D+00-0.123D+00 0.330D+00 0.248D+00-0.328D+00-0.376D+00 Coeff-Com: 0.138D+00 0.129D+01 Coeff: -0.329D-01-0.483D-03 0.660D-01 0.885D-02-0.849D-01 0.174D-01 Coeff: 0.445D-01 0.162D-01 0.315D-02-0.768D-01 0.126D+00-0.380D-01 Coeff: -0.229D+00-0.123D+00 0.330D+00 0.248D+00-0.328D+00-0.376D+00 Coeff: 0.138D+00 0.129D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.53D-06 MaxDP=5.09D-05 DE=-5.29D-08 OVMax= 6.03D-04 Cycle 50 Pass 1 IDiag 1: RMSU= 6.56D-07 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.00D+00 1.91D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460953698 Delta-E= -0.000000024429 Rises=F Damp=F DIIS: error= 1.24D-06 at cycle 50 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460953698 IErMin=20 ErrMin= 1.24D-06 ErrMax= 1.24D-06 EMaxC= 1.00D-01 BMatC= 4.05D-10 BMatP= 5.09D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.115D-01-0.225D-03-0.133D-01-0.275D-01 0.352D-01 0.363D-01 Coeff-Com: -0.807D-01-0.181D-01 0.374D-02 0.814D-02 0.103D+00 0.343D+00 Coeff-Com: -0.317D-01-0.659D+00 0.142D+00 0.794D+00-0.276D+00-0.147D+01 Coeff-Com: 0.108D+00 0.199D+01 Coeff: 0.115D-01-0.225D-03-0.133D-01-0.275D-01 0.352D-01 0.363D-01 Coeff: -0.807D-01-0.181D-01 0.374D-02 0.814D-02 0.103D+00 0.343D+00 Coeff: -0.317D-01-0.659D+00 0.142D+00 0.794D+00-0.276D+00-0.147D+01 Coeff: 0.108D+00 0.199D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.59D-06 MaxDP=5.33D-05 DE=-2.44D-08 OVMax= 6.17D-04 Cycle 51 Pass 1 IDiag 1: RMSU= 3.76D-07 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.39D+00 2.85D+00 CP: 1.90D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460955663 Delta-E= -0.000000019649 Rises=F Damp=F DIIS: error= 7.60D-07 at cycle 51 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460955663 IErMin=20 ErrMin= 7.60D-07 ErrMax= 7.60D-07 EMaxC= 1.00D-01 BMatC= 2.55D-10 BMatP= 4.05D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.112D-01-0.193D-02 0.270D-01 0.981D-02-0.165D-01-0.654D-01 Coeff-Com: 0.377D-01 0.679D-01-0.465D-01-0.288D-01 0.924D-01 0.234D-01 Coeff-Com: -0.189D+00-0.763D-01 0.241D+00 0.175D+00-0.123D+00-0.489D+00 Coeff-Com: -0.547D-01 0.143D+01 Coeff: -0.112D-01-0.193D-02 0.270D-01 0.981D-02-0.165D-01-0.654D-01 Coeff: 0.377D-01 0.679D-01-0.465D-01-0.288D-01 0.924D-01 0.234D-01 Coeff: -0.189D+00-0.763D-01 0.241D+00 0.175D+00-0.123D+00-0.489D+00 Coeff: -0.547D-01 0.143D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=8.37D-07 MaxDP=2.78D-05 DE=-1.96D-08 OVMax= 3.27D-04 Cycle 52 Pass 1 IDiag 1: RMSU= 5.22D-07 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.69D+00 3.00D+00 CP: 2.36D+00 1.41D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956251 Delta-E= -0.000000005879 Rises=F Damp=F DIIS: error= 5.54D-07 at cycle 52 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460956251 IErMin=20 ErrMin= 5.54D-07 ErrMax= 5.54D-07 EMaxC= 1.00D-01 BMatC= 9.48D-11 BMatP= 2.55D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.374D-02 0.113D-01-0.486D-02-0.159D-01 0.128D-01 0.457D-01 Coeff-Com: 0.110D-01-0.124D+00-0.553D-01-0.716D-02 0.109D+00 0.119D+00 Coeff-Com: -0.126D+00-0.274D+00 0.204D+00 0.744D+00-0.226D+00-0.102D+01 Coeff-Com: 0.108D+00 0.149D+01 Coeff: -0.374D-02 0.113D-01-0.486D-02-0.159D-01 0.128D-01 0.457D-01 Coeff: 0.110D-01-0.124D+00-0.553D-01-0.716D-02 0.109D+00 0.119D+00 Coeff: -0.126D+00-0.274D+00 0.204D+00 0.744D+00-0.226D+00-0.102D+01 Coeff: 0.108D+00 0.149D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=4.67D-07 MaxDP=1.96D-05 DE=-5.88D-09 OVMax= 1.68D-04 Cycle 53 Pass 1 IDiag 1: RMSU= 1.43D-07 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.70D+00 3.00D+00 CP: 2.57D+00 1.82D+00 1.76D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956476 Delta-E= -0.000000002252 Rises=F Damp=F DIIS: error= 3.08D-07 at cycle 53 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460956476 IErMin=20 ErrMin= 3.08D-07 ErrMax= 3.08D-07 EMaxC= 1.00D-01 BMatC= 3.16D-11 BMatP= 9.48D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.182D-02 0.112D-02 0.239D-02 0.545D-02-0.105D-01-0.855D-02 Coeff-Com: -0.179D-02 0.149D-01 0.106D-01 0.115D-01-0.221D-01 0.377D-01 Coeff-Com: -0.114D-01-0.665D-01 0.296D-01 0.382D-01 0.867D-01-0.509D+00 Coeff-Com: 0.168D+00 0.123D+01 Coeff: -0.182D-02 0.112D-02 0.239D-02 0.545D-02-0.105D-01-0.855D-02 Coeff: -0.179D-02 0.149D-01 0.106D-01 0.115D-01-0.221D-01 0.377D-01 Coeff: -0.114D-01-0.665D-01 0.296D-01 0.382D-01 0.867D-01-0.509D+00 Coeff: 0.168D+00 0.123D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.86D-07 MaxDP=7.42D-06 DE=-2.25D-09 OVMax= 5.45D-05 Cycle 54 Pass 1 IDiag 1: RMSU= 5.60D-08 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.77D+00 3.00D+00 CP: 2.58D+00 2.06D+00 2.03D+00 1.28D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956579 Delta-E= -0.000000001026 Rises=F Damp=F DIIS: error= 2.73D-07 at cycle 54 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460956579 IErMin=20 ErrMin= 2.73D-07 ErrMax= 2.73D-07 EMaxC= 1.00D-01 BMatC= 1.43D-11 BMatP= 3.16D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.263D-03 0.349D-02-0.640D-02-0.210D-01 0.355D-04 0.632D-01 Coeff-Com: 0.263D-01-0.738D-02-0.409D-01-0.726D-01 0.717D-01 0.119D+00 Coeff-Com: -0.112D+00-0.312D+00 0.517D-01 0.542D+00-0.132D+00-0.740D+00 Coeff-Com: 0.352D+00 0.122D+01 Coeff: 0.263D-03 0.349D-02-0.640D-02-0.210D-01 0.355D-04 0.632D-01 Coeff: 0.263D-01-0.738D-02-0.409D-01-0.726D-01 0.717D-01 0.119D+00 Coeff: -0.112D+00-0.312D+00 0.517D-01 0.542D+00-0.132D+00-0.740D+00 Coeff: 0.352D+00 0.122D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.75D-07 MaxDP=5.90D-06 DE=-1.03D-09 OVMax= 6.37D-05 Cycle 55 Pass 1 IDiag 1: RMSU= 3.47D-08 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.83D+00 3.00D+00 CP: 2.65D+00 2.17D+00 2.31D+00 1.43D+00 1.53D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956615 Delta-E= -0.000000000364 Rises=F Damp=F DIIS: error= 2.23D-07 at cycle 55 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460956615 IErMin=20 ErrMin= 2.23D-07 ErrMax= 2.23D-07 EMaxC= 1.00D-01 BMatC= 8.18D-12 BMatP= 1.43D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.275D-02-0.652D-02-0.334D-02 0.234D-02 0.209D-01 0.323D-02 Coeff-Com: -0.872D-02-0.213D-02-0.278D-01-0.295D-02 0.557D-01 0.150D-01 Coeff-Com: -0.124D+00-0.581D-01 0.176D+00 0.274D+00-0.392D+00-0.375D+00 Coeff-Com: 0.247D+00 0.120D+01 Coeff: 0.275D-02-0.652D-02-0.334D-02 0.234D-02 0.209D-01 0.323D-02 Coeff: -0.872D-02-0.213D-02-0.278D-01-0.295D-02 0.557D-01 0.150D-01 Coeff: -0.124D+00-0.581D-01 0.176D+00 0.274D+00-0.392D+00-0.375D+00 Coeff: 0.247D+00 0.120D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=5.19D-08 MaxDP=1.47D-06 DE=-3.64D-10 OVMax= 1.52D-05 Cycle 56 Pass 1 IDiag 1: RMSU= 1.18D-08 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.82D+00 3.00D+00 CP: 2.63D+00 2.21D+00 2.36D+00 1.55D+00 2.07D+00 CP: 1.59D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956607 Delta-E= 0.000000000084 Rises=F Damp=F DIIS: error= 1.85D-07 at cycle 56 NSaved= 20. NSaved=20 IEnMin=19 EnMin= -3800.96460956615 IErMin=20 ErrMin= 1.85D-07 ErrMax= 1.85D-07 EMaxC= 1.00D-01 BMatC= 4.81D-12 BMatP= 8.18D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.291D-02 0.126D-01 0.232D-02-0.182D-01-0.162D-01-0.879D-02 Coeff-Com: 0.313D-01 0.214D-01-0.445D-01-0.276D-01 0.820D-01 0.851D-01 Coeff-Com: -0.940D-01-0.160D+00 0.210D+00 0.145D+00-0.286D+00-0.457D+00 Coeff-Com: 0.180D+00 0.135D+01 Coeff: -0.291D-02 0.126D-01 0.232D-02-0.182D-01-0.162D-01-0.879D-02 Coeff: 0.313D-01 0.214D-01-0.445D-01-0.276D-01 0.820D-01 0.851D-01 Coeff: -0.940D-01-0.160D+00 0.210D+00 0.145D+00-0.286D+00-0.457D+00 Coeff: 0.180D+00 0.135D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=5.55D-08 MaxDP=1.95D-06 DE= 8.37D-11 OVMax= 1.66D-05 Cycle 57 Pass 1 IDiag 1: RMSU= 1.21D-08 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.79D+00 3.00D+00 CP: 2.61D+00 2.27D+00 2.33D+00 1.67D+00 2.61D+00 CP: 2.19D+00 2.01D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956668 Delta-E= -0.000000000611 Rises=F Damp=F DIIS: error= 1.73D-07 at cycle 57 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -3800.96460956668 IErMin=20 ErrMin= 1.73D-07 ErrMax= 1.73D-07 EMaxC= 1.00D-01 BMatC= 2.96D-12 BMatP= 4.81D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.338D-02-0.196D-02 0.739D-02 0.930D-02 0.528D-02-0.283D-01 Coeff-Com: -0.605D-02 0.442D-01 0.914D-03-0.580D-01-0.234D-01 0.683D-01 Coeff-Com: 0.735D-01-0.278D+00 0.806D-01 0.344D+00 0.102D+00-0.754D+00 Coeff-Com: -0.574D+00 0.199D+01 Coeff: -0.338D-02-0.196D-02 0.739D-02 0.930D-02 0.528D-02-0.283D-01 Coeff: -0.605D-02 0.442D-01 0.914D-03-0.580D-01-0.234D-01 0.683D-01 Coeff: 0.735D-01-0.278D+00 0.806D-01 0.344D+00 0.102D+00-0.754D+00 Coeff: -0.574D+00 0.199D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=5.22D-08 MaxDP=2.36D-06 DE=-6.11D-10 OVMax= 1.20D-05 Cycle 58 Pass 1 IDiag 1: RMSU= 1.19D-08 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.79D+00 3.00D+00 CP: 2.61D+00 2.30D+00 2.39D+00 1.72D+00 3.00D+00 CP: 2.81D+00 3.00D+00 2.09D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956656 Delta-E= 0.000000000120 Rises=F Damp=F DIIS: error= 1.54D-07 at cycle 58 NSaved= 20. NSaved=20 IEnMin=19 EnMin= -3800.96460956668 IErMin=20 ErrMin= 1.54D-07 ErrMax= 1.54D-07 EMaxC= 1.00D-01 BMatC= 2.19D-12 BMatP= 2.96D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.493D-02 0.194D-02 0.101D-01 0.210D-02-0.123D-01 0.205D-02 Coeff-Com: 0.240D-01-0.340D-02-0.436D-01-0.260D-01 0.489D-01 0.607D-01 Coeff-Com: -0.136D+00 0.462D-01 0.137D+00 0.893D-01-0.243D+00-0.552D+00 Coeff-Com: 0.527D+00 0.107D+01 Coeff: -0.493D-02 0.194D-02 0.101D-01 0.210D-02-0.123D-01 0.205D-02 Coeff: 0.240D-01-0.340D-02-0.436D-01-0.260D-01 0.489D-01 0.607D-01 Coeff: -0.136D+00 0.462D-01 0.137D+00 0.893D-01-0.243D+00-0.552D+00 Coeff: 0.527D+00 0.107D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=2.91D-08 MaxDP=1.92D-06 DE= 1.20D-10 OVMax= 7.77D-06 Cycle 59 Pass 1 IDiag 1: RMSU= 1.08D-08 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 3.00D+00 CP: 3.00D+00 3.00D+00 3.00D+00 2.80D+00 3.00D+00 CP: 2.60D+00 2.32D+00 2.35D+00 1.72D+00 3.00D+00 CP: 3.00D+00 3.00D+00 2.66D+00 2.08D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956652 Delta-E= 0.000000000040 Rises=F Damp=F DIIS: error= 1.40D-07 at cycle 59 NSaved= 20. NSaved=20 IEnMin=18 EnMin= -3800.96460956668 IErMin=20 ErrMin= 1.40D-07 ErrMax= 1.40D-07 EMaxC= 1.00D-01 BMatC= 1.47D-12 BMatP= 2.19D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.281D-02-0.467D-02-0.697D-02 0.956D-02 0.688D-02-0.139D-01 Coeff-Com: 0.254D-02 0.126D-01-0.139D-01-0.191D-01 0.136D-01 0.962D-01 Coeff-Com: -0.670D-01-0.129D+00 0.228D-01 0.340D+00 0.108D+00-0.905D+00 Coeff-Com: 0.158D+00 0.139D+01 Coeff: 0.281D-02-0.467D-02-0.697D-02 0.956D-02 0.688D-02-0.139D-01 Coeff: 0.254D-02 0.126D-01-0.139D-01-0.191D-01 0.136D-01 0.962D-01 Coeff: -0.670D-01-0.129D+00 0.228D-01 0.340D+00 0.108D+00-0.905D+00 Coeff: 0.158D+00 0.139D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=3.47D-08 MaxDP=1.49D-06 DE= 4.00D-11 OVMax= 1.31D-05 Cycle 60 Pass 1 IDiag 1: Restarting incremental Fock formation. PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956639 Delta-E= 0.000000000131 Rises=F Damp=F DIIS: error= 1.30D-07 at cycle 60 NSaved= 20. NSaved=20 IEnMin=17 EnMin= -3800.96460956668 IErMin=20 ErrMin= 1.30D-07 ErrMax= 1.30D-07 EMaxC= 1.00D-01 BMatC= 1.25D-12 BMatP= 1.47D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.196D-02-0.161D-02 0.160D-01-0.427D-02-0.360D-01 0.130D-01 Coeff-Com: 0.451D-01 0.769D-02-0.462D-01-0.285D-01 0.873D-01-0.274D-01 Coeff-Com: -0.957D-01-0.756D-01 0.294D+00 0.281D+00-0.653D+00-0.421D+00 Coeff-Com: 0.340D+00 0.131D+01 Coeff: -0.196D-02-0.161D-02 0.160D-01-0.427D-02-0.360D-01 0.130D-01 Coeff: 0.451D-01 0.769D-02-0.462D-01-0.285D-01 0.873D-01-0.274D-01 Coeff: -0.957D-01-0.756D-01 0.294D+00 0.281D+00-0.653D+00-0.421D+00 Coeff: 0.340D+00 0.131D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.84D-08 MaxDP=1.95D-06 DE= 1.31D-10 OVMax= 3.58D-06 Cycle 61 Pass 1 IDiag 1: RMSU= 1.84D-08 CP: 1.00D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956651 Delta-E= -0.000000000120 Rises=F Damp=F DIIS: error= 1.20D-07 at cycle 61 NSaved= 20. NSaved=20 IEnMin=16 EnMin= -3800.96460956668 IErMin=20 ErrMin= 1.20D-07 ErrMax= 1.20D-07 EMaxC= 1.00D-01 BMatC= 9.47D-13 BMatP= 1.25D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.679D-02-0.559D-02-0.126D-01 0.185D-01 0.111D-01-0.259D-01 Coeff-Com: -0.210D-01 0.315D-01 0.378D-01-0.108D+00 0.473D-01 0.110D+00 Coeff-Com: -0.456D-01-0.220D+00-0.534D-01 0.675D+00-0.191D+00-0.113D+01 Coeff-Com: -0.401D+00 0.228D+01 Coeff: 0.679D-02-0.559D-02-0.126D-01 0.185D-01 0.111D-01-0.259D-01 Coeff: -0.210D-01 0.315D-01 0.378D-01-0.108D+00 0.473D-01 0.110D+00 Coeff: -0.456D-01-0.220D+00-0.534D-01 0.675D+00-0.191D+00-0.113D+01 Coeff: -0.401D+00 0.228D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=3.52D-08 MaxDP=3.26D-06 DE=-1.20D-10 OVMax= 1.11D-05 Cycle 62 Pass 1 IDiag 1: RMSU= 2.82D-08 CP: 1.00D+00 2.14D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956662 Delta-E= -0.000000000116 Rises=F Damp=F DIIS: error= 9.93D-08 at cycle 62 NSaved= 20. NSaved=20 IEnMin=15 EnMin= -3800.96460956668 IErMin=20 ErrMin= 9.93D-08 ErrMax= 9.93D-08 EMaxC= 1.00D-01 BMatC= 6.17D-13 BMatP= 9.47D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.434D-02-0.111D-02 0.291D-01-0.122D-01-0.396D-01 0.324D-02 Coeff-Com: 0.349D-01 0.200D-01-0.975D-01 0.482D-01 0.115D+00 0.196D-01 Coeff-Com: -0.285D+00-0.205D+00 0.646D+00 0.274D+00-0.342D+00-0.957D+00 Coeff-Com: -0.239D-01 0.178D+01 Coeff: -0.434D-02-0.111D-02 0.291D-01-0.122D-01-0.396D-01 0.324D-02 Coeff: 0.349D-01 0.200D-01-0.975D-01 0.482D-01 0.115D+00 0.196D-01 Coeff: -0.285D+00-0.205D+00 0.646D+00 0.274D+00-0.342D+00-0.957D+00 Coeff: -0.239D-01 0.178D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=3.35D-08 MaxDP=3.02D-06 DE=-1.16D-10 OVMax= 1.12D-05 Cycle 63 Pass 1 IDiag 1: RMSU= 7.32D-09 CP: 1.00D+00 3.00D+00 1.99D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956650 Delta-E= 0.000000000120 Rises=F Damp=F DIIS: error= 7.83D-08 at cycle 63 NSaved= 20. NSaved=20 IEnMin=14 EnMin= -3800.96460956668 IErMin=20 ErrMin= 7.83D-08 ErrMax= 7.83D-08 EMaxC= 1.00D-01 BMatC= 4.31D-13 BMatP= 6.17D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.263D-02 0.366D-02-0.163D-01-0.262D-02 0.315D-01-0.705D-02 Coeff-Com: -0.340D-01 0.242D-01 0.398D-02 0.151D-02 0.367D-01-0.367D-01 Coeff-Com: -0.338D-01-0.152D+00 0.141D+00 0.710D+00-0.110D+00-0.160D+01 Coeff-Com: 0.763D+00 0.128D+01 Coeff: 0.263D-02 0.366D-02-0.163D-01-0.262D-02 0.315D-01-0.705D-02 Coeff: -0.340D-01 0.242D-01 0.398D-02 0.151D-02 0.367D-01-0.367D-01 Coeff: -0.338D-01-0.152D+00 0.141D+00 0.710D+00-0.110D+00-0.160D+01 Coeff: 0.763D+00 0.128D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=2.12D-08 MaxDP=2.84D-06 DE= 1.20D-10 OVMax= 4.56D-06 Cycle 64 Pass 1 IDiag 1: RMSU= 1.43D-08 CP: 1.00D+00 3.00D+00 2.49D+00 1.95D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956641 Delta-E= 0.000000000095 Rises=F Damp=F DIIS: error= 5.90D-08 at cycle 64 NSaved= 20. NSaved=20 IEnMin=13 EnMin= -3800.96460956668 IErMin=20 ErrMin= 5.90D-08 ErrMax= 5.90D-08 EMaxC= 1.00D-01 BMatC= 2.58D-13 BMatP= 4.31D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.153D-01 0.534D-02 0.281D-01 0.818D-02-0.319D-01-0.273D-01 Coeff-Com: 0.103D+00-0.613D-01-0.109D+00 0.640D-02 0.240D+00 0.225D+00 Coeff-Com: -0.653D+00-0.221D+00 0.538D+00 0.682D+00-0.519D+00-0.713D+00 Coeff-Com: -0.305D-01 0.155D+01 Coeff: -0.153D-01 0.534D-02 0.281D-01 0.818D-02-0.319D-01-0.273D-01 Coeff: 0.103D+00-0.613D-01-0.109D+00 0.640D-02 0.240D+00 0.225D+00 Coeff: -0.653D+00-0.221D+00 0.538D+00 0.682D+00-0.519D+00-0.713D+00 Coeff: -0.305D-01 0.155D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.64D-08 MaxDP=2.08D-06 DE= 9.46D-11 OVMax= 3.41D-06 Cycle 65 Pass 1 IDiag 1: RMSU= 5.60D-09 CP: 1.00D+00 3.00D+00 2.85D+00 2.80D+00 1.68D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956655 Delta-E= -0.000000000138 Rises=F Damp=F DIIS: error= 4.50D-08 at cycle 65 NSaved= 20. NSaved=20 IEnMin=12 EnMin= -3800.96460956668 IErMin=20 ErrMin= 4.50D-08 ErrMax= 4.50D-08 EMaxC= 1.00D-01 BMatC= 1.56D-13 BMatP= 2.58D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.609D-02-0.380D-02-0.177D-01 0.980D-02 0.265D-01-0.279D-01 Coeff-Com: -0.142D-01 0.318D-01 0.153D-01-0.638D-01-0.309D-01 0.168D+00 Coeff-Com: 0.553D-02-0.378D+00-0.591D-01 0.705D+00-0.817D-01-0.865D+00 Coeff-Com: -0.497D-01 0.162D+01 Coeff: 0.609D-02-0.380D-02-0.177D-01 0.980D-02 0.265D-01-0.279D-01 Coeff: -0.142D-01 0.318D-01 0.153D-01-0.638D-01-0.309D-01 0.168D+00 Coeff: 0.553D-02-0.378D+00-0.591D-01 0.705D+00-0.817D-01-0.865D+00 Coeff: -0.497D-01 0.162D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=1.12D-08 MaxDP=1.70D-06 DE=-1.38D-10 OVMax= 1.64D-06 Cycle 66 Pass 1 IDiag 1: RMSU= 5.72D-09 CP: 1.00D+00 3.00D+00 2.91D+00 3.00D+00 2.20D+00 CP: 1.86D+00 PrismC: NFx= 2048 NFxT= 6 NFxU= 6. E= -3800.96460956635 Delta-E= 0.000000000196 Rises=F Damp=F DIIS: error= 3.38D-08 at cycle 66 NSaved= 20. NSaved=20 IEnMin=11 EnMin= -3800.96460956668 IErMin=20 ErrMin= 3.38D-08 ErrMax= 3.38D-08 EMaxC= 1.00D-01 BMatC= 8.75D-14 BMatP= 1.56D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.911D-03-0.389D-03 0.177D-02 0.220D-03-0.158D-01 0.205D-01 Coeff-Com: 0.295D-01-0.118D-01-0.776D-01-0.222D-01 0.169D+00 0.571D-01 Coeff-Com: -0.215D+00-0.179D+00 0.172D+00 0.312D+00-0.125D+00-0.459D+00 Coeff-Com: -0.429D-02 0.135D+01 Coeff: -0.911D-03-0.389D-03 0.177D-02 0.220D-03-0.158D-01 0.205D-01 Coeff: 0.295D-01-0.118D-01-0.776D-01-0.222D-01 0.169D+00 0.571D-01 Coeff: -0.215D+00-0.179D+00 0.172D+00 0.312D+00-0.125D+00-0.459D+00 Coeff: -0.429D-02 0.135D+01 Gap= 0.066 Goal= None Shift= 0.000 RMSDP=8.41D-09 MaxDP=7.14D-07 DE= 1.96D-10 OVMax= 2.28D-06 SCF Done: E(RHF) = -3800.96460957 A.U. after 66 cycles Convg = 0.8407D-08 -V/T = 1.9981 S**2 = 0.0000 KE= 3.808154090465D+03 PE=-2.446850551635D+04 EE= 9.104540957827D+03 Leave Link 502 at Mon Sep 19 22:09:32 2011, MaxMem= 6291456 cpu: 9302.0 (Enter /opt/n1ge6/gaussian/tar/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (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 -- -261.36989 -92.01239 -31.94985 -27.43222 -27.43182 Alpha occ. eigenvalues -- -27.43092 -20.53768 -20.51454 -20.46652 -20.46414 Alpha occ. eigenvalues -- -20.42608 -20.42093 -15.66587 -15.64828 -15.64663 Alpha occ. eigenvalues -- -15.64546 -15.56796 -11.41107 -11.39867 -11.39797 Alpha occ. eigenvalues -- -11.39226 -11.39127 -11.38628 -11.38058 -11.37541 Alpha occ. eigenvalues -- -11.35561 -11.35232 -11.34794 -11.34782 -11.34710 Alpha occ. eigenvalues -- -11.34315 -11.33583 -11.33490 -11.32643 -11.32595 Alpha occ. eigenvalues -- -11.32187 -11.31700 -11.31451 -11.31355 -11.31290 Alpha occ. eigenvalues -- -11.31044 -11.30504 -11.29634 -11.29206 -11.28995 Alpha occ. eigenvalues -- -11.28543 -11.27933 -11.26580 -11.26023 -11.24976 Alpha occ. eigenvalues -- -11.23374 -11.23060 -11.19058 -11.18243 -9.02890 Alpha occ. eigenvalues -- -6.70929 -6.70860 -6.70647 -4.15696 -2.73969 Alpha occ. eigenvalues -- -2.73414 -2.73328 -1.45230 -1.42136 -1.41292 Alpha occ. eigenvalues -- -1.40807 -1.38362 -1.35922 -1.34834 -1.30803 Alpha occ. eigenvalues -- -1.23095 -1.21836 -1.21028 -1.20921 -1.19392 Alpha occ. eigenvalues -- -1.18840 -1.18668 -1.18242 -1.16725 -1.16056 Alpha occ. eigenvalues -- -1.12758 -1.11424 -1.10849 -1.10002 -1.08812 Alpha occ. eigenvalues -- -1.07379 -1.06332 -1.05661 -1.04612 -1.03159 Alpha occ. eigenvalues -- -1.02784 -0.99637 -0.99397 -0.95692 -0.94028 Alpha occ. eigenvalues -- -0.92735 -0.91594 -0.91139 -0.89962 -0.89336 Alpha occ. eigenvalues -- -0.86662 -0.84959 -0.84057 -0.83721 -0.81425 Alpha occ. eigenvalues -- -0.80677 -0.80290 -0.79954 -0.77331 -0.75879 Alpha occ. eigenvalues -- -0.75283 -0.75089 -0.73257 -0.72431 -0.70892 Alpha occ. eigenvalues -- -0.70495 -0.69587 -0.69397 -0.69210 -0.68853 Alpha occ. eigenvalues -- -0.68743 -0.68296 -0.67985 -0.67662 -0.67393 Alpha occ. eigenvalues -- -0.66976 -0.66651 -0.66611 -0.66207 -0.65850 Alpha occ. eigenvalues -- -0.65672 -0.65274 -0.65046 -0.64896 -0.64624 Alpha occ. eigenvalues -- -0.64093 -0.63802 -0.63635 -0.63057 -0.62544 Alpha occ. eigenvalues -- -0.62264 -0.62032 -0.61445 -0.61135 -0.60651 Alpha occ. eigenvalues -- -0.60344 -0.60036 -0.59920 -0.59400 -0.58745 Alpha occ. eigenvalues -- -0.57921 -0.57639 -0.56707 -0.56651 -0.56452 Alpha occ. eigenvalues -- -0.55961 -0.55945 -0.55384 -0.55195 -0.54702 Alpha occ. eigenvalues -- -0.54621 -0.54178 -0.53591 -0.53124 -0.52734 Alpha occ. eigenvalues -- -0.51870 -0.51253 -0.50339 -0.49298 -0.48942 Alpha occ. eigenvalues -- -0.46656 -0.46459 -0.44552 -0.44315 -0.43773 Alpha occ. eigenvalues -- -0.42874 -0.41617 -0.41049 -0.40825 -0.40438 Alpha occ. eigenvalues -- -0.40131 -0.38255 -0.37590 -0.35484 -0.35106 Alpha occ. eigenvalues -- -0.34336 -0.33292 -0.32569 -0.32110 -0.26590 Alpha occ. eigenvalues -- -0.25961 Alpha virt. eigenvalues -- -0.19329 -0.16254 -0.05576 -0.04677 0.02884 Alpha virt. eigenvalues -- 0.04037 0.07138 0.08949 0.11453 0.12204 Alpha virt. eigenvalues -- 0.12333 0.15492 0.16118 0.17281 0.17375 Alpha virt. eigenvalues -- 0.17817 0.18607 0.19320 0.20034 0.20752 Alpha virt. eigenvalues -- 0.20811 0.21363 0.22250 0.22773 0.22899 Alpha virt. eigenvalues -- 0.23132 0.23509 0.23661 0.24322 0.24534 Alpha virt. eigenvalues -- 0.24734 0.25107 0.25469 0.26053 0.26359 Alpha virt. eigenvalues -- 0.26895 0.27074 0.27522 0.27698 0.27854 Alpha virt. eigenvalues -- 0.28021 0.28113 0.28443 0.28722 0.29246 Alpha virt. eigenvalues -- 0.29405 0.29755 0.30315 0.30877 0.31230 Alpha virt. eigenvalues -- 0.31509 0.31754 0.31874 0.32001 0.32829 Alpha virt. eigenvalues -- 0.33770 0.33959 0.34319 0.34890 0.35744 Alpha virt. eigenvalues -- 0.36247 0.36429 0.36686 0.37110 0.37714 Alpha virt. eigenvalues -- 0.38046 0.38352 0.38828 0.39200 0.39412 Alpha virt. eigenvalues -- 0.40116 0.40558 0.40635 0.41433 0.41961 Alpha virt. eigenvalues -- 0.42221 0.42876 0.43207 0.43331 0.43773 Alpha virt. eigenvalues -- 0.44173 0.45606 0.45823 0.46822 0.48074 Alpha virt. eigenvalues -- 0.48435 0.49206 0.49575 0.49876 0.50516 Alpha virt. eigenvalues -- 0.51167 0.51940 0.52080 0.52736 0.54285 Alpha virt. eigenvalues -- 0.54831 0.55668 0.57327 0.57558 0.58241 Alpha virt. eigenvalues -- 0.58656 0.59433 0.60445 0.60698 0.61292 Alpha virt. eigenvalues -- 0.61768 0.62525 0.63042 0.63441 0.63703 Alpha virt. eigenvalues -- 0.64431 0.64877 0.65111 0.65274 0.65590 Alpha virt. eigenvalues -- 0.66093 0.66222 0.67393 0.67656 0.68273 Alpha virt. eigenvalues -- 0.68899 0.69200 0.69350 0.70003 0.70863 Alpha virt. eigenvalues -- 0.71656 0.72303 0.72683 0.72910 0.73137 Alpha virt. eigenvalues -- 0.74341 0.74556 0.74828 0.75235 0.75533 Alpha virt. eigenvalues -- 0.75640 0.76705 0.76932 0.77815 0.77937 Alpha virt. eigenvalues -- 0.78537 0.78872 0.79189 0.79418 0.80385 Alpha virt. eigenvalues -- 0.80793 0.80984 0.81232 0.81704 0.82300 Alpha virt. eigenvalues -- 0.82606 0.82694 0.83435 0.84062 0.84889 Alpha virt. eigenvalues -- 0.85218 0.85570 0.86284 0.86413 0.86702 Alpha virt. eigenvalues -- 0.87617 0.87768 0.88347 0.88638 0.89129 Alpha virt. eigenvalues -- 0.89418 0.89491 0.90430 0.90526 0.90914 Alpha virt. eigenvalues -- 0.91650 0.91763 0.92658 0.92850 0.93355 Alpha virt. eigenvalues -- 0.94428 0.94522 0.95157 0.95221 0.95960 Alpha virt. eigenvalues -- 0.96150 0.96967 0.97192 0.97825 0.97972 Alpha virt. eigenvalues -- 0.98474 0.98851 0.99055 0.99606 1.00057 Alpha virt. eigenvalues -- 1.00282 1.01109 1.01297 1.01450 1.01679 Alpha virt. eigenvalues -- 1.02307 1.02813 1.03151 1.03464 1.04334 Alpha virt. eigenvalues -- 1.05180 1.06002 1.06251 1.07108 1.07502 Alpha virt. eigenvalues -- 1.08954 1.09609 1.10060 1.10369 1.10569 Alpha virt. eigenvalues -- 1.11574 1.11916 1.12558 1.12979 1.14164 Alpha virt. eigenvalues -- 1.14899 1.15521 1.15951 1.16775 1.17519 Alpha virt. eigenvalues -- 1.17633 1.18349 1.18451 1.18969 1.19312 Alpha virt. eigenvalues -- 1.19833 1.20369 1.20771 1.21143 1.21440 Alpha virt. eigenvalues -- 1.22037 1.22746 1.23026 1.23196 1.23434 Alpha virt. eigenvalues -- 1.24097 1.24559 1.24658 1.25710 1.26096 Alpha virt. eigenvalues -- 1.26771 1.26989 1.27188 1.27580 1.27675 Alpha virt. eigenvalues -- 1.27935 1.28375 1.28389 1.29095 1.29464 Alpha virt. eigenvalues -- 1.29775 1.30122 1.30889 1.31010 1.31446 Alpha virt. eigenvalues -- 1.32100 1.32382 1.33000 1.33322 1.33569 Alpha virt. eigenvalues -- 1.34180 1.34314 1.35077 1.35415 1.35541 Alpha virt. eigenvalues -- 1.36144 1.36855 1.37236 1.37311 1.37477 Alpha virt. eigenvalues -- 1.38314 1.38579 1.39583 1.39724 1.40174 Alpha virt. eigenvalues -- 1.40587 1.40772 1.41357 1.42145 1.42727 Alpha virt. eigenvalues -- 1.43127 1.43379 1.43652 1.43812 1.44084 Alpha virt. eigenvalues -- 1.44587 1.45259 1.45678 1.46377 1.47022 Alpha virt. eigenvalues -- 1.48217 1.48492 1.48926 1.49420 1.50070 Alpha virt. eigenvalues -- 1.50484 1.50928 1.52003 1.53379 1.54040 Alpha virt. eigenvalues -- 1.54273 1.54529 1.55222 1.56183 1.57788 Alpha virt. eigenvalues -- 1.58184 1.59004 1.60529 1.60988 1.61113 Alpha virt. eigenvalues -- 1.64226 1.64711 1.66948 1.68295 1.69641 Alpha virt. eigenvalues -- 1.70015 1.71039 1.72738 1.74824 1.75332 Alpha virt. eigenvalues -- 1.77035 1.77560 1.79481 1.79518 1.80902 Alpha virt. eigenvalues -- 1.82520 1.84531 1.85921 1.86753 1.90152 Alpha virt. eigenvalues -- 1.90572 1.92016 1.93832 1.95798 1.96473 Alpha virt. eigenvalues -- 2.02117 2.06161 2.11821 2.13780 2.15307 Alpha virt. eigenvalues -- 2.16788 2.17025 2.19684 2.23489 2.33189 Alpha virt. eigenvalues -- 2.37088 2.37831 2.41740 2.44158 2.45152 Alpha virt. eigenvalues -- 2.56404 2.63863 21.16481 Condensed to atoms (all electrons): Mulliken atomic charges: 1 1 C -0.122001 2 C -0.112778 3 C -0.101791 4 C -0.108097 5 C 0.292231 6 C -0.013536 7 C -0.082970 8 C 0.295374 9 C -0.352919 10 C -0.273039 11 C -0.364209 12 C 0.638179 13 O -0.649923 14 O -0.606463 15 C 0.258813 16 C -0.007011 17 C -0.157216 18 C 0.335726 19 C -0.379709 20 C -0.115517 21 C -0.257059 22 C 0.298265 23 C 0.004288 24 C -0.129638 25 C 0.319450 26 C -0.376599 27 C -0.194220 28 C -0.254512 29 C 0.335158 30 C -0.036527 31 C -0.090366 32 C 0.336354 33 C -0.363903 34 C -0.228518 35 C -0.367515 36 C 0.662410 37 O -0.580541 38 O -0.591204 39 N -0.990200 40 N -0.944175 41 N -0.949075 42 N -1.007468 43 Fe 1.461214 44 H 0.269321 45 H 0.226105 46 H 0.219896 47 H 0.229892 48 H 0.204870 49 H 0.151756 50 H 0.219672 51 H 0.214121 52 H 0.199284 53 H 0.163855 54 H 0.173743 55 H 0.198704 56 H 0.190435 57 H 0.202235 58 H 0.173530 59 H 0.171150 60 H 0.189778 61 H 0.181607 62 H 0.202750 63 H 0.204188 64 H 0.203619 65 H 0.197793 66 H 0.186537 67 H 0.222495 68 H 0.162129 69 H 0.200246 70 H 0.191695 71 H 0.201479 72 H 0.179583 73 H 0.185099 74 N -0.879580 75 H 0.405713 76 C 0.035419 77 H 0.205972 78 C -0.647748 79 H 0.220343 80 H 0.274294 81 S 0.129351 82 C 0.622841 83 O -0.537465 84 O -0.541033 85 H 0.365562 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 C 0.147320 2 C 0.113327 3 C 0.118105 4 C 0.121795 5 C 0.292231 6 C -0.013536 7 C -0.082970 8 C 0.295374 9 C 0.223379 10 C 0.140366 11 C -0.026611 12 C 0.638179 13 O -0.649923 14 O -0.606463 15 C 0.258813 16 C -0.007011 17 C -0.157216 18 C 0.335726 19 C 0.211665 20 C 0.058013 21 C 0.103868 22 C 0.298265 23 C 0.004288 24 C -0.129638 25 C 0.319450 26 C 0.211945 27 C 0.009399 28 C 0.129818 29 C 0.335158 30 C -0.036527 31 C -0.090366 32 C 0.336354 33 C 0.220966 34 C 0.164657 35 C -0.002832 36 C 0.662410 37 O -0.580541 38 O -0.591204 39 N -0.990200 40 N -0.944175 41 N -0.949075 42 N -1.007468 43 Fe 1.461214 44 H 0.000000 45 H 0.000000 46 H 0.000000 47 H 0.000000 48 H 0.000000 49 H 0.000000 50 H 0.000000 51 H 0.000000 52 H 0.000000 53 H 0.000000 54 H 0.000000 55 H 0.000000 56 H 0.000000 57 H 0.000000 58 H 0.000000 59 H 0.000000 60 H 0.000000 61 H 0.000000 62 H 0.000000 63 H 0.000000 64 H 0.000000 65 H 0.000000 66 H 0.000000 67 H 0.000000 68 H 0.000000 69 H 0.000000 70 H 0.000000 71 H 0.000000 72 H 0.000000 73 H 0.000000 74 N -0.108304 75 H 0.000000 76 C 0.241391 77 H 0.000000 78 C -0.153111 79 H 0.000000 80 H 0.000000 81 S 0.129351 82 C 0.622841 83 O -0.537465 84 O -0.541033 85 H 0.000000 Sum of Mulliken charges= 0.00000 Entering OneElI... OneElI was handed 5836387 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 PrsmSu: NPrtUS= 1 ThrOK=F PRISM was handed 4490156 working-precision words and 15301 shell-pairs Electronic moments (au): -382.00000000 19.19287184 1.35413388 -4.21597871 -18161.27764294-11009.84287898 -3088.40992728 12.92252965 -4.95281916 19.60148205 19246.70325698 -1278.31017982 -12125.14953830 -4579.29744028-10390.58818116 7205.38907280 5858.92684110 4228.99556000 6463.23304587 1341.86790067 *********************************************-55869.54497750 -29978.23935025 37716.22202617 -5592.27584655 17164.02364360 12880.07275676***************-56550.78374762-46648.70600720 -3169.26970408-12348.14999626 -6148.95775289 Electronic spatial extent (au): = 32259.5304 Nuclear moments (au): 382.00000000 -0.00000000 -0.00000000 0.00000000 17794.28559307 10811.80580694 2832.13070122 -0.00000000 0.00000000 0.00000000-15781.98784434 1196.97108239 11917.85499837 5424.42218855 10230.79885236 -7118.89416248 -5852.69576313 -4132.60189701 -6617.38500849 -1357.91005959 ***************641016.41301882100314.06007783 59744.58860167 28277.39430298-36041.82253238 5837.10386252-17500.54935686 -11998.39239108609116.24587919 43098.98082577 37893.41876458 3192.84732524 13205.51209800 5707.15875937 Total moments (au): 0.00000000 19.19287184 1.35413388 -4.21597871 -366.99204987 -198.03707204 -256.27922606 12.92252965 -4.95281916 19.60148205 3464.71541264 -81.33909743 -207.29453994 845.12474827 -159.78932880 86.49491032 6.23107797 96.39366300 -154.15196261 -16.04215892 -93724.80025201-34357.39105183-12704.66195127 3875.04362417 -1700.84504727 1674.39949379 244.82801596 -336.52571326 881.68036568-22184.27126079-13451.80292186 -8755.28724263 23.57762116 857.36210174 -441.79899352 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 48.7834 Y= 3.4419 Z= -10.7159 Tot= 50.0649 Quadrupole moment (field-independent basis, Debye-Ang): XX= -493.6168 YY= -266.3666 ZZ= -344.7043 XY= 17.3812 XZ= -6.6617 YZ= 26.3647 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -125.3876 YY= 101.8626 ZZ= 23.5249 XY= 17.3812 XZ= -6.6617 YZ= 26.3647 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 2466.0508 YYY= -57.8940 ZZZ= -147.5443 XYY= 601.5272 XXY= -113.7319 XXZ= 61.5637 XZZ= 4.4350 YZZ= 68.6093 YYZ= -109.7194 XYZ= -11.4182 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX=-35301.2511 YYYY=-12940.6399 ZZZZ= -4785.1845 XXXY= 1459.5271 XXXZ= -640.6197 YYYX= 630.6591 YYYZ= 92.2140 ZZZX= -126.7517 ZZZY= 332.0831 XXYY= -8355.6596 XXZZ= -5066.5936 YYZZ= -3297.6607 XXYZ= 8.8805 YYXZ= 322.9237 ZZXY= -166.4027 N-N= 7.754845858489D+03 E-N=-2.446850551782D+04 KE= 3.808154090465D+03 Entering OneElI... OneElI was handed 5241846 working-precision words. Calculate electrostatic properties NBasis = 544 MinDer = 0 MaxDer = 0 NGrid = 85 NMatD = 1 Requested accuracy = 0.1000D-12 PrsmSu: NPrtUS= 1 ThrOK=F PRISM was handed 4120276 working-precision words and 12094 shell-pairs -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.219920 0.067048 -0.286969 2 Atom 0.092585 0.230477 -0.323062 3 Atom 0.209143 0.060781 -0.269925 4 Atom 0.052441 0.209587 -0.262028 5 Atom 0.065983 0.281665 -0.347648 6 Atom 0.321150 0.126833 -0.447984 7 Atom 0.038340 0.100358 -0.138697 8 Atom 0.356447 0.174873 -0.531320 9 Atom 0.104569 -0.245375 0.140806 10 Atom -0.241056 0.145926 0.095131 11 Atom -0.008795 0.096857 -0.088062 12 Atom 0.130263 -0.046322 -0.083941 13 Atom 1.210179 -0.833617 -0.376562 14 Atom 0.706669 -0.004172 -0.702497 15 Atom 0.286541 0.069965 -0.356506 16 Atom 0.145481 0.171677 -0.317157 17 Atom 0.130259 0.052820 -0.183079 18 Atom 0.181562 0.315519 -0.497081 19 Atom 0.116561 -0.214530 0.097969 20 Atom 0.077062 0.183367 -0.260429 21 Atom 0.227291 0.160511 -0.387802 22 Atom 0.123312 0.270449 -0.393761 23 Atom 0.168998 0.157929 -0.326927 24 Atom 0.029409 0.178124 -0.207533 25 Atom 0.321030 0.168201 -0.489231 26 Atom -0.203610 0.122394 0.081216 27 Atom -0.195665 0.063806 0.131858 28 Atom -0.350445 0.219150 0.131295 29 Atom 0.306403 0.089713 -0.396116 30 Atom 0.146480 0.160263 -0.306744 31 Atom 0.212391 0.044631 -0.257022 32 Atom 0.170637 0.395712 -0.566349 33 Atom 0.101046 -0.206141 0.105095 34 Atom -0.248429 0.156787 0.091642 35 Atom -0.019247 0.090783 -0.071536 36 Atom 0.193306 -0.343207 0.149901 37 Atom 1.152296 -1.003870 -0.148425 38 Atom 1.315995 -1.113358 -0.202637 39 Atom -0.026372 -0.121870 0.148242 40 Atom 0.017758 0.002897 -0.020655 41 Atom -0.002738 -0.066275 0.069013 42 Atom -0.069719 -0.031929 0.101648 43 Atom 0.404139 0.373283 -0.777421 44 Atom -0.415415 0.230725 0.184690 45 Atom 0.239390 -0.519493 0.280103 46 Atom -0.495960 0.237411 0.258548 47 Atom 0.236069 -0.500587 0.264518 48 Atom 0.159833 0.161537 -0.321370 49 Atom -0.366489 0.111081 0.255408 50 Atom -0.046054 0.223932 -0.177878 51 Atom 0.161560 -0.153234 -0.008326 52 Atom 0.236022 -0.362058 0.126036 53 Atom 0.161012 -0.100331 -0.060681 54 Atom 0.261928 -0.391169 0.129241 55 Atom 0.130497 0.112128 -0.242625 56 Atom -0.468766 0.195020 0.273746 57 Atom 0.076916 0.195188 -0.272104 58 Atom -0.001330 -0.266711 0.268041 59 Atom 0.107001 -0.360817 0.253816 60 Atom -0.527615 0.254324 0.273291 61 Atom 0.033105 0.106292 -0.139397 62 Atom 0.208486 -0.480645 0.272159 63 Atom 0.228134 0.125524 -0.353657 64 Atom 0.179027 0.082149 -0.261176 65 Atom 0.163489 0.174577 -0.338066 66 Atom 0.254527 -0.499330 0.244803 67 Atom -0.071635 0.137357 -0.065722 68 Atom -0.365336 0.094941 0.270395 69 Atom 0.184060 0.243932 -0.427992 70 Atom 0.234647 -0.250190 0.015542 71 Atom 0.153512 -0.267417 0.113905 72 Atom 0.225392 -0.200294 -0.025098 73 Atom 0.189080 -0.315783 0.126703 74 Atom 0.324482 -0.153345 -0.171137 75 Atom 0.156585 0.135124 -0.291710 76 Atom -0.149871 0.003397 0.146474 77 Atom 0.099239 0.129922 -0.229161 78 Atom -0.128831 -0.053382 0.182213 79 Atom 0.145558 -0.108333 -0.037224 80 Atom 0.091844 0.098901 -0.190746 81 Atom -0.893078 -1.443197 2.336275 82 Atom -0.285803 0.158143 0.127660 83 Atom -1.254501 1.946764 -0.692264 84 Atom 0.051200 -0.496214 0.445014 85 Atom 0.165828 -0.260556 0.094728 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000989 0.161402 0.041205 2 Atom 0.003812 0.033376 0.041494 3 Atom 0.025746 -0.028675 -0.006790 4 Atom -0.022376 0.041955 0.073231 5 Atom -0.026621 0.082542 0.081526 6 Atom 0.041989 0.130058 0.077112 7 Atom 0.059230 0.032568 0.032699 8 Atom -0.047503 0.090885 0.029083 9 Atom 0.026609 -0.008698 -0.028564 10 Atom 0.069222 -0.037997 0.018399 11 Atom -0.016436 0.109805 0.012685 12 Atom -0.076462 0.094786 0.305271 13 Atom 0.712092 0.979061 0.316315 14 Atom -1.241278 -0.485321 0.400596 15 Atom 0.019841 0.046815 0.033627 16 Atom -0.027388 0.014869 0.048541 17 Atom -0.036340 0.008867 0.023079 18 Atom 0.011886 0.019990 0.072397 19 Atom -0.011935 -0.001588 -0.026762 20 Atom -0.038213 0.003586 0.095492 21 Atom -0.059033 0.007481 0.124402 22 Atom -0.009312 0.063542 -0.086127 23 Atom 0.020049 0.105146 -0.016314 24 Atom 0.029137 0.050878 -0.000479 25 Atom -0.016662 0.218791 0.050697 26 Atom 0.025634 -0.056844 0.016064 27 Atom -0.024869 -0.152295 -0.010639 28 Atom -0.056121 -0.230378 0.012871 29 Atom 0.020901 0.117813 0.081039 30 Atom -0.072586 0.043167 0.073587 31 Atom -0.076186 0.046874 0.026191 32 Atom 0.022385 0.136723 0.078748 33 Atom -0.021954 -0.015686 -0.062696 34 Atom -0.055729 -0.015583 0.003723 35 Atom -0.026332 0.113746 0.014957 36 Atom 0.024626 0.000099 -0.179263 37 Atom -0.616768 1.196839 -0.386063 38 Atom 0.672577 -1.100722 -0.375418 39 Atom -0.494574 -0.057614 -0.108519 40 Atom 0.534175 0.055797 0.025557 41 Atom -0.499400 -0.046220 -0.124501 42 Atom 0.497347 0.099129 0.008501 43 Atom 0.175801 0.073729 0.177461 44 Atom -0.060208 -0.253674 -0.026039 45 Atom -0.050145 -0.006789 -0.050124 46 Atom 0.057167 0.148925 -0.004351 47 Atom 0.046823 -0.002788 -0.111487 48 Atom 0.103934 -0.259934 0.238767 49 Atom -0.300809 -0.129752 -0.063029 50 Atom 0.100724 0.377084 -0.121613 51 Atom -0.194015 -0.164801 -0.344621 52 Atom 0.105204 -0.049637 0.309809 53 Atom -0.202713 -0.176908 -0.347335 54 Atom 0.050300 -0.012329 0.302703 55 Atom 0.140446 -0.271871 0.274054 56 Atom -0.210095 -0.054010 -0.016273 57 Atom 0.107796 0.326304 -0.187831 58 Atom 0.359946 0.067625 -0.106800 59 Atom 0.310484 0.059723 -0.127089 60 Atom 0.067679 -0.011712 -0.002023 61 Atom -0.190621 0.303411 0.265770 62 Atom 0.188819 -0.010753 0.026631 63 Atom -0.064268 -0.141171 -0.304536 64 Atom 0.132088 0.238467 -0.293497 65 Atom 0.096650 0.255189 -0.225096 66 Atom 0.111056 0.019841 -0.113299 67 Atom -0.201810 0.340211 0.198268 68 Atom 0.316582 -0.079619 0.034360 69 Atom -0.035388 -0.251906 -0.101737 70 Atom -0.113065 -0.077267 -0.368577 71 Atom 0.232908 -0.133076 0.292386 72 Atom -0.143420 -0.096836 -0.374142 73 Atom 0.211531 -0.093983 0.290115 74 Atom 0.755790 0.687451 0.369760 75 Atom -0.026154 0.207124 0.181870 76 Atom -0.046037 0.154525 -0.058235 77 Atom -0.050302 -0.153788 -0.123648 78 Atom 0.144648 0.180075 -0.086845 79 Atom 0.064689 -0.046268 0.241910 80 Atom -0.060789 -0.148203 -0.155559 81 Atom -1.300378 1.309971 -0.616928 82 Atom -0.000146 0.199862 0.010708 83 Atom -0.103990 0.049573 -0.147958 84 Atom -0.719810 1.563314 -0.399394 85 Atom 0.213723 -0.058918 0.250709 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.3378 -45.331 -16.175 -15.121 -0.2765 -0.0966 0.9561 1 C(13) Bbb 0.0701 9.404 3.355 3.137 -0.0875 0.9933 0.0751 Bcc 0.2677 35.928 12.820 11.984 0.9570 0.0629 0.2831 Baa -0.3287 -44.114 -15.741 -14.715 -0.0781 -0.0732 0.9943 2 C(13) Bbb 0.0949 12.733 4.543 4.247 0.9959 -0.0508 0.0745 Bcc 0.2339 31.381 11.197 10.468 0.0451 0.9960 0.0769 Baa -0.2717 -36.462 -13.011 -12.162 0.0587 0.0158 0.9982 3 C(13) Bbb 0.0565 7.575 2.703 2.527 -0.1673 0.9859 -0.0058 Bcc 0.2153 28.887 10.307 9.636 0.9842 0.1667 -0.0605 Baa -0.2792 -37.467 -13.369 -12.498 -0.1342 -0.1528 0.9791 4 C(13) Bbb 0.0570 7.649 2.729 2.551 0.9864 0.0742 0.1468 Bcc 0.2222 29.818 10.640 9.946 -0.0951 0.9855 0.1408 Baa -0.3745 -50.261 -17.934 -16.765 -0.1901 -0.1286 0.9733 5 C(13) Bbb 0.0813 10.911 3.893 3.640 0.9790 0.0496 0.1978 Bcc 0.2932 39.349 14.041 13.126 -0.0737 0.9905 0.1165 Baa -0.4774 -64.059 -22.858 -21.368 -0.1538 -0.1146 0.9814 6 C(13) Bbb 0.1218 16.340 5.831 5.450 -0.2511 0.9652 0.0733 Bcc 0.3556 47.718 17.027 15.917 0.9557 0.2351 0.1772 Baa -0.1466 -19.673 -7.020 -6.562 -0.1427 -0.0962 0.9851 7 C(13) Bbb 0.0033 0.437 0.156 0.146 0.8411 -0.5364 0.0694 Bcc 0.1434 19.237 6.864 6.417 0.5217 0.8385 0.1574 Baa -0.5421 -72.747 -25.958 -24.266 -0.1030 -0.0471 0.9936 8 C(13) Bbb 0.1666 22.357 7.978 7.458 0.2114 0.9750 0.0682 Bcc 0.3755 50.390 17.980 16.808 0.9720 -0.2170 0.0905 Baa -0.2494 -33.463 -11.941 -11.162 -0.0730 0.9948 0.0712 9 C(13) Bbb 0.1036 13.903 4.961 4.638 0.9629 0.0517 0.2649 Bcc 0.1458 19.560 6.980 6.525 -0.2598 -0.0879 0.9617 Baa -0.2577 -34.586 -12.341 -11.537 0.9783 -0.1730 0.1144 10 C(13) Bbb 0.0976 13.095 4.673 4.368 -0.1434 -0.1660 0.9756 Bcc 0.1602 21.491 7.668 7.169 0.1498 0.9708 0.1872 Baa -0.1667 -22.364 -7.980 -7.460 -0.5747 -0.0751 0.8149 11 C(13) Bbb 0.0671 9.005 3.213 3.004 0.7936 0.1922 0.5773 Bcc 0.0996 13.360 4.767 4.456 -0.2000 0.9785 -0.0509 Baa -0.3989 -53.523 -19.098 -17.853 -0.2237 -0.6653 0.7123 12 C(13) Bbb 0.1572 21.090 7.525 7.035 0.9690 -0.2306 0.0890 Bcc 0.2417 32.433 11.573 10.818 0.1050 0.7101 0.6962 Baa -1.0575 76.522 27.305 25.525 -0.2865 0.9575 -0.0329 13 O(17) Bbb -0.8415 60.888 21.726 20.310 -0.4035 -0.0894 0.9106 Bcc 1.8990 -137.410 -49.031 -45.835 0.8690 0.2741 0.4120 Baa -0.9482 68.609 24.481 22.886 0.5203 0.8051 -0.2848 14 O(17) Bbb -0.8522 61.662 22.003 20.568 0.3630 0.0934 0.9271 Bcc 1.8003 -130.272 -46.484 -43.454 0.7730 -0.5858 -0.2436 Baa -0.3623 -48.615 -17.347 -16.216 -0.0695 -0.0742 0.9948 15 C(13) Bbb 0.0701 9.409 3.357 3.138 -0.1054 0.9922 0.0666 Bcc 0.2922 39.206 13.990 13.078 0.9920 0.1002 0.0768 Baa -0.3226 -43.288 -15.446 -14.439 -0.0374 -0.0997 0.9943 16 C(13) Bbb 0.1314 17.630 6.291 5.881 0.8674 0.4909 0.0819 Bcc 0.1912 25.657 9.155 8.558 -0.4963 0.8655 0.0681 Baa -0.1858 -24.933 -8.897 -8.317 -0.0396 -0.1022 0.9940 17 C(13) Bbb 0.0412 5.524 1.971 1.843 0.3660 0.9241 0.1096 Bcc 0.1446 19.410 6.926 6.474 0.9298 -0.3682 -0.0008 Baa -0.5040 -67.632 -24.133 -22.560 -0.0275 -0.0876 0.9958 18 C(13) Bbb 0.1808 24.258 8.656 8.092 0.9950 -0.0979 0.0189 Bcc 0.3232 43.374 15.477 14.468 0.0959 0.9913 0.0898 Baa -0.2172 -29.151 -10.402 -9.724 0.0360 0.9958 0.0847 19 C(13) Bbb 0.1002 13.449 4.799 4.486 0.0340 -0.0860 0.9957 Bcc 0.1170 15.702 5.603 5.238 0.9988 -0.0330 -0.0370 Baa -0.2805 -37.635 -13.429 -12.554 -0.0316 -0.2040 0.9785 20 C(13) Bbb 0.0675 9.056 3.231 3.021 0.9648 0.2496 0.0832 Bcc 0.2130 28.579 10.198 9.533 -0.2612 0.9466 0.1890 Baa -0.4153 -55.732 -19.887 -18.590 -0.0310 -0.2141 0.9763 21 C(13) Bbb 0.1480 19.864 7.088 6.626 0.5744 0.7956 0.1927 Bcc 0.2673 35.868 12.799 11.964 0.8180 -0.5667 -0.0983 Baa -0.4119 -55.273 -19.723 -18.437 -0.1149 0.1229 0.9858 22 C(13) Bbb 0.1285 17.248 6.155 5.753 0.9871 0.1251 0.0995 Bcc 0.2834 38.025 13.568 12.684 -0.1111 0.9845 -0.1357 Baa -0.3491 -46.844 -16.715 -15.626 -0.2002 0.0394 0.9790 23 C(13) Bbb 0.1518 20.365 7.267 6.793 -0.3755 0.9198 -0.1138 Bcc 0.1973 26.479 9.448 8.832 0.9049 0.3904 0.1693 Baa -0.2181 -29.267 -10.443 -9.762 -0.2031 0.0161 0.9790 24 C(13) Bbb 0.0343 4.597 1.640 1.533 0.9600 -0.1937 0.2024 Bcc 0.1838 24.670 8.803 8.229 0.1929 0.9809 0.0239 Baa -0.5485 -73.602 -26.263 -24.551 -0.2447 -0.0741 0.9668 25 C(13) Bbb 0.1721 23.092 8.240 7.703 -0.0005 0.9971 0.0763 Bcc 0.3764 50.510 18.023 16.848 0.9696 -0.0182 0.2440 Baa -0.2169 -29.104 -10.385 -9.708 0.9781 -0.0829 0.1910 26 C(13) Bbb 0.0888 11.921 4.254 3.976 -0.2070 -0.2892 0.9346 Bcc 0.1280 17.183 6.131 5.732 0.0223 0.9537 0.3001 Baa -0.2578 -34.595 -12.345 -11.540 0.9273 0.0838 0.3647 27 C(13) Bbb 0.0661 8.866 3.164 2.958 -0.0803 0.9965 -0.0247 Bcc 0.1917 25.729 9.181 8.582 -0.3655 -0.0064 0.9308 Baa -0.4462 -59.882 -21.368 -19.975 0.9270 0.0711 0.3682 28 C(13) Bbb 0.1904 25.544 9.115 8.521 0.2115 0.7117 -0.6699 Bcc 0.2559 34.338 12.253 11.454 -0.3097 0.6989 0.6448 Baa -0.4267 -57.265 -20.434 -19.102 -0.1528 -0.1472 0.9772 29 C(13) Bbb 0.0962 12.915 4.608 4.308 -0.1654 0.9787 0.1215 Bcc 0.3305 44.351 15.825 14.794 0.9743 0.1431 0.1739 Baa -0.3243 -43.518 -15.528 -14.516 -0.1154 -0.1660 0.9793 30 C(13) Bbb 0.0967 12.976 4.630 4.328 0.7507 0.6311 0.1954 Bcc 0.2276 30.542 10.898 10.188 -0.6505 0.7578 0.0518 Baa -0.2654 -35.617 -12.709 -11.881 -0.1146 -0.1115 0.9871 31 C(13) Bbb 0.0212 2.847 1.016 0.950 0.3356 0.9309 0.1442 Bcc 0.2442 32.770 11.693 10.931 0.9350 -0.3478 0.0693 Baa -0.5964 -80.026 -28.555 -26.694 -0.1729 -0.0741 0.9821 32 C(13) Bbb 0.1891 25.380 9.056 8.466 0.9732 -0.1660 0.1588 Bcc 0.4072 54.646 19.499 18.228 0.1513 0.9833 0.1008 Baa -0.2202 -29.545 -10.542 -9.855 0.0763 0.9784 0.1923 33 C(13) Bbb 0.0968 12.990 4.635 4.333 0.8747 -0.1582 0.4582 Bcc 0.1234 16.555 5.907 5.522 -0.4787 -0.1332 0.8678 Baa -0.2566 -34.433 -12.286 -11.485 0.9902 0.1331 0.0429 34 C(13) Bbb 0.0918 12.322 4.397 4.110 -0.0318 -0.0843 0.9959 Bcc 0.1648 22.111 7.890 7.375 -0.1362 0.9875 0.0793 Baa -0.1652 -22.168 -7.910 -7.394 -0.6232 -0.1094 0.7744 35 C(13) Bbb 0.0667 8.950 3.194 2.985 0.6941 0.3787 0.6122 Bcc 0.0985 13.218 4.716 4.409 -0.3602 0.9190 -0.1601 Baa -0.4024 -54.000 -19.268 -18.012 -0.0393 0.9504 0.3085 36 C(13) Bbb 0.1910 25.624 9.143 8.547 0.9159 -0.0891 0.3914 Bcc 0.2115 28.376 10.125 9.465 -0.3995 -0.2979 0.8670 Baa -1.1786 85.286 30.432 28.448 0.1738 0.9713 0.1621 37 O(17) Bbb -0.8594 62.184 22.189 20.742 -0.5217 -0.0488 0.8517 Bcc 2.0380 -147.470 -52.621 -49.191 0.8352 -0.2326 0.4983 Baa -1.2998 94.050 33.559 31.372 -0.1902 0.9715 0.1416 38 O(17) Bbb -0.7798 56.428 20.135 18.822 0.4736 -0.0355 0.8800 Bcc 2.0796 -150.478 -53.694 -50.194 0.8600 0.2344 -0.4533 Baa -0.5902 -22.763 -8.123 -7.593 0.6601 0.7340 0.1594 39 N(14) Bbb 0.1640 6.324 2.257 2.110 -0.1918 -0.0404 0.9806 Bcc 0.4262 16.439 5.866 5.483 0.7262 -0.6779 0.1141 Baa -0.5248 -20.240 -7.222 -6.751 -0.7032 0.7098 0.0418 40 N(14) Bbb -0.0256 -0.988 -0.352 -0.329 -0.0422 -0.1004 0.9941 Bcc 0.5504 21.227 7.574 7.081 0.7098 0.6972 0.1006 Baa -0.5589 -21.555 -7.691 -7.190 0.6645 0.7222 0.1921 41 N(14) Bbb 0.0862 3.323 1.186 1.108 -0.2273 -0.0495 0.9726 Bcc 0.4727 18.232 6.506 6.081 0.7119 -0.6899 0.1313 Baa -0.5551 -21.410 -7.640 -7.142 0.7220 -0.6847 -0.1001 42 N(14) Bbb 0.0925 3.568 1.273 1.190 -0.0710 -0.2172 0.9735 Bcc 0.4626 17.841 6.366 5.951 0.6883 0.6957 0.2054 Baa -0.8060 -13.954 -4.979 -4.655 -0.0395 -0.1429 0.9889 43 Fe(57) Bbb 0.2183 3.779 1.349 1.261 -0.7008 0.7095 0.0746 Bcc 0.5877 10.175 3.631 3.394 0.7123 0.6901 0.1282 Baa -0.5140 -274.265 -97.865 -91.485 0.9353 0.0876 0.3428 44 H(1) Bbb 0.2361 125.996 44.959 42.028 -0.1129 0.9921 0.0545 Bcc 0.2779 148.269 52.906 49.457 -0.3354 -0.0897 0.9378 Baa -0.5260 -280.623 -100.133 -93.606 0.0658 0.9959 0.0625 45 H(1) Bbb 0.2424 129.330 46.148 43.140 0.9939 -0.0710 0.0846 Bcc 0.2836 151.293 53.985 50.466 -0.0887 -0.0565 0.9945 Baa -0.5285 -281.998 -100.624 -94.064 0.9798 -0.0742 -0.1858 46 H(1) Bbb 0.2408 128.460 45.838 42.850 0.0466 0.9878 -0.1486 Bcc 0.2878 153.538 54.786 51.215 0.1946 0.1369 0.9713 Baa -0.5193 -277.073 -98.866 -92.422 -0.0607 0.9882 0.1403 47 H(1) Bbb 0.2369 126.375 45.094 42.154 0.9759 0.0293 0.2163 Bcc 0.2824 150.698 53.773 50.268 -0.2096 -0.1501 0.9662 Baa -0.5326 -284.197 -101.408 -94.798 0.3748 -0.3512 0.8580 48 H(1) Bbb 0.2592 138.304 49.350 46.133 0.1633 0.9360 0.3118 Bcc 0.2734 145.893 52.058 48.665 0.9126 -0.0232 -0.4081 Baa -0.5380 -287.048 -102.426 -95.749 0.8859 0.4279 0.1789 49 H(1) Bbb 0.2564 136.779 48.806 45.624 -0.4370 0.8994 0.0125 Bcc 0.2816 150.269 53.620 50.124 -0.1555 -0.0893 0.9838 Baa -0.5279 -281.678 -100.510 -93.958 -0.6294 0.2055 0.7494 50 H(1) Bbb 0.2570 137.126 48.930 45.740 0.1928 0.9755 -0.1056 Bcc 0.2709 144.552 51.580 48.217 0.7528 -0.0780 0.6536 Baa -0.5270 -281.185 -100.334 -93.793 0.3467 0.7267 0.5930 51 H(1) Bbb 0.2540 135.514 48.355 45.203 0.8964 -0.4429 0.0186 Bcc 0.2730 145.671 51.979 48.591 -0.2762 -0.5251 0.8050 Baa -0.5301 -282.814 -100.915 -94.337 -0.1501 0.8896 -0.4314 52 H(1) Bbb 0.2536 135.316 48.284 45.137 0.9872 0.1108 -0.1151 Bcc 0.2764 147.498 52.631 49.200 0.0546 0.4432 0.8948 Baa -0.5326 -284.184 -101.404 -94.794 0.3614 0.6811 0.6368 53 H(1) Bbb 0.2564 136.792 48.811 45.629 0.6937 0.2599 -0.6718 Bcc 0.2762 147.392 52.593 49.165 -0.6230 0.6845 -0.3785 Baa -0.5334 -284.589 -101.549 -94.929 -0.0638 0.9073 -0.4157 54 H(1) Bbb 0.2568 137.024 48.894 45.706 0.7577 -0.2270 -0.6118 Bcc 0.2766 147.565 52.655 49.222 0.6494 0.3540 0.6730 Baa -0.5328 -284.283 -101.439 -94.827 0.4188 -0.4309 0.7993 55 H(1) Bbb 0.2585 137.933 49.218 46.009 0.3737 0.8841 0.2807 Bcc 0.2743 146.350 52.221 48.817 0.8276 -0.1811 -0.5313 Baa -0.5336 -284.712 -101.592 -94.970 0.9581 0.2778 0.0697 56 H(1) Bbb 0.2559 136.543 48.722 45.546 -0.2802 0.9596 0.0270 Bcc 0.2777 148.169 52.870 49.424 -0.0594 -0.0454 0.9972 Baa -0.5321 -283.902 -101.303 -94.700 -0.4914 0.2853 0.8229 57 H(1) Bbb 0.2586 137.951 49.224 46.015 0.3738 0.9225 -0.0967 Bcc 0.2735 145.951 52.079 48.684 0.7867 -0.2600 0.5599 Baa -0.5374 -286.756 -102.322 -95.651 -0.5641 0.8111 0.1549 58 H(1) Bbb 0.2488 132.759 47.372 44.283 0.8253 0.5475 0.1386 Bcc 0.2886 153.997 54.950 51.368 -0.0276 -0.2060 0.9782 Baa -0.5405 -288.361 -102.894 -96.187 -0.4388 0.8816 0.1741 59 H(1) Bbb 0.2612 139.380 49.734 46.492 0.8944 0.4099 0.1789 Bcc 0.2792 148.981 53.160 49.695 -0.0864 -0.2342 0.9683 Baa -0.5336 -284.700 -101.588 -94.966 0.9962 -0.0855 0.0142 60 H(1) Bbb 0.2595 138.450 49.402 46.182 0.0806 0.9741 0.2111 Bcc 0.2741 146.250 52.186 48.784 -0.0319 -0.2092 0.9774 Baa -0.5352 -285.578 -101.901 -95.259 -0.5333 -0.4541 0.7137 61 H(1) Bbb 0.2587 138.014 49.247 46.036 0.8379 -0.3996 0.3719 Bcc 0.2766 147.565 52.655 49.222 0.1163 0.7963 0.5936 Baa -0.5300 -282.782 -100.904 -94.326 -0.2480 0.9681 -0.0355 62 H(1) Bbb 0.2560 136.582 48.736 45.559 0.9439 0.2498 0.2163 Bcc 0.2740 146.201 52.168 48.767 -0.2182 -0.0202 0.9757 Baa -0.5331 -284.458 -101.502 -94.885 0.1996 0.4272 0.8818 63 H(1) Bbb 0.2587 138.054 49.261 46.050 0.9488 -0.3090 -0.0651 Bcc 0.2744 146.404 52.241 48.835 0.2447 0.8497 -0.4670 Baa -0.5338 -284.791 -101.620 -94.996 -0.3572 0.4631 0.8111 64 H(1) Bbb 0.2501 133.423 47.609 44.505 0.1057 0.8829 -0.4575 Bcc 0.2837 151.367 54.012 50.491 0.9280 0.0777 0.3643 Baa -0.5302 -282.897 -100.945 -94.364 -0.3661 0.3283 0.8708 65 H(1) Bbb 0.2594 138.386 49.380 46.161 -0.0356 0.9301 -0.3656 Bcc 0.2708 144.511 51.565 48.204 0.9299 0.1648 0.3288 Baa -0.5324 -284.042 -101.353 -94.746 -0.1419 0.9790 0.1463 66 H(1) Bbb 0.2606 139.059 49.620 46.385 -0.3032 -0.1837 0.9350 Bcc 0.2717 144.982 51.733 48.361 0.9423 0.0883 0.3229 Baa -0.5290 -282.255 -100.716 -94.150 0.6541 0.3908 -0.6476 67 H(1) Bbb 0.2574 137.319 48.999 45.805 -0.2185 0.9173 0.3328 Bcc 0.2716 144.936 51.717 48.345 0.7241 -0.0762 0.6854 Baa -0.5359 -285.920 -102.023 -95.373 0.8863 -0.4506 0.1067 68 H(1) Bbb 0.2550 136.043 48.544 45.379 0.4218 0.8807 0.2155 Bcc 0.2809 149.876 53.480 49.993 -0.1911 -0.1460 0.9707 Baa -0.5333 -284.524 -101.525 -94.907 0.3342 0.1373 0.9324 69 H(1) Bbb 0.2588 138.079 49.270 46.058 -0.1079 0.9884 -0.1069 Bcc 0.2745 146.445 52.255 48.849 0.9363 0.0649 -0.3452 Baa -0.5335 -284.665 -101.575 -94.954 0.1755 0.8058 0.5656 70 H(1) Bbb 0.2589 138.117 49.284 46.071 0.9784 -0.0790 -0.1910 Bcc 0.2747 146.548 52.292 48.883 0.1093 -0.5869 0.8022 Baa -0.5309 -283.264 -101.075 -94.487 -0.3648 0.8173 -0.4459 71 H(1) Bbb 0.2566 136.891 48.846 45.662 0.8760 0.4636 0.1330 Bcc 0.2743 146.372 52.229 48.825 -0.3154 0.3421 0.8851 Baa -0.5361 -286.019 -102.059 -95.406 0.2211 0.7664 0.6031 72 H(1) Bbb 0.2547 135.871 48.482 45.322 0.7750 0.2373 -0.5857 Bcc 0.2814 150.148 53.577 50.084 -0.5920 0.5969 -0.5416 Baa -0.5334 -284.612 -101.557 -94.936 -0.3049 0.8552 -0.4192 73 H(1) Bbb 0.2569 137.057 48.905 45.717 0.7866 -0.0221 -0.6171 Bcc 0.2766 147.556 52.652 49.219 0.5369 0.5179 0.6659 Baa -0.7593 -29.286 -10.450 -9.769 0.6836 -0.5922 -0.4266 74 N(14) Bbb -0.5298 -20.433 -7.291 -6.816 -0.0640 -0.6309 0.7732 Bcc 1.2891 49.719 17.741 16.584 0.7271 0.5012 0.4692 Baa -0.4297 -229.259 -81.805 -76.472 -0.3294 -0.3032 0.8942 75 H(1) Bbb 0.1687 90.026 32.124 30.030 -0.5648 0.8222 0.0707 Bcc 0.2610 139.232 49.682 46.443 0.7566 0.4817 0.4421 Baa -0.2176 -29.200 -10.419 -9.740 0.9218 0.0928 -0.3764 76 C(13) Bbb -0.0171 -2.288 -0.817 -0.763 0.0307 0.9504 0.3095 Bcc 0.2347 31.489 11.236 10.503 0.3865 -0.2968 0.8732 Baa -0.3288 -175.420 -62.594 -58.514 0.3536 0.2794 0.8927 77 H(1) Bbb 0.1598 85.276 30.428 28.445 0.9056 0.1365 -0.4014 Bcc 0.1690 90.144 32.166 30.069 -0.2340 0.9504 -0.2048 Baa -0.3178 -42.647 -15.217 -14.225 0.7601 -0.5363 -0.3669 78 C(13) Bbb 0.0518 6.954 2.482 2.320 0.5182 0.8410 -0.1556 Bcc 0.2660 35.692 12.736 11.906 0.3920 -0.0719 0.9172 Baa -0.3305 -176.322 -62.916 -58.815 -0.1642 0.7481 -0.6430 79 H(1) Bbb 0.1556 82.996 29.615 27.685 0.9016 -0.1506 -0.4054 Bcc 0.1749 93.325 33.301 31.130 0.4002 0.6463 0.6497 Baa -0.3206 -171.079 -61.045 -57.066 0.3619 0.3697 0.8557 80 H(1) Bbb 0.1533 81.775 29.179 27.277 0.9066 -0.3533 -0.2308 Bcc 0.1674 89.305 31.866 29.789 0.2170 0.8593 -0.4631 Baa -2.5262 -103.573 -36.958 -34.548 0.6608 0.7459 -0.0834 81 S(33) Bbb -0.5175 -21.216 -7.570 -7.077 0.6500 -0.6243 -0.4333 Bcc 3.0437 124.789 44.528 41.625 0.3753 -0.2321 0.8974 Baa -0.3667 -49.201 -17.556 -16.412 0.9270 0.0079 -0.3750 82 C(13) Bbb 0.1563 20.975 7.484 6.996 -0.0769 0.9825 -0.1695 Bcc 0.2103 28.226 10.072 9.415 0.3671 0.1859 0.9114 Baa -1.2614 91.277 32.570 30.447 0.9964 0.0286 -0.0793 83 O(17) Bbb -0.6971 50.444 18.000 16.826 0.0776 0.0587 0.9953 Bcc 1.9586 -141.721 -50.570 -47.273 -0.0332 0.9979 -0.0563 Baa -1.4292 103.413 36.900 34.495 0.7557 0.3446 -0.5569 84 O(17) Bbb -0.6320 45.728 16.317 15.253 -0.0788 0.8920 0.4451 Bcc 2.0611 -149.141 -53.217 -49.748 0.6502 -0.2925 0.7012 Baa -0.4651 -248.161 -88.550 -82.778 -0.3264 0.8494 -0.4147 85 H(1) Bbb 0.1885 100.588 35.892 33.553 -0.6002 0.1527 0.7852 Bcc 0.2766 147.573 52.658 49.225 0.7302 0.5052 0.4599 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Sep 19 22:09:34 2011, MaxMem= 6291456 cpu: 1.8 (Enter /opt/n1ge6/gaussian/tar/g03/l602.exe) Merz-Kollman atomic radii used. Read replacement radii for each type of atom: Rad(26) = 2.000000000000D+00 Atom Element Radius 1 6 1.50 2 6 1.50 3 6 1.50 4 6 1.50 5 6 1.50 6 6 1.50 7 6 1.50 8 6 1.50 9 6 1.50 10 6 1.50 11 6 1.50 12 6 1.50 13 8 1.40 14 8 1.40 15 6 1.50 16 6 1.50 17 6 1.50 18 6 1.50 19 6 1.50 20 6 1.50 21 6 1.50 22 6 1.50 23 6 1.50 24 6 1.50 25 6 1.50 26 6 1.50 27 6 1.50 28 6 1.50 29 6 1.50 30 6 1.50 31 6 1.50 32 6 1.50 33 6 1.50 34 6 1.50 35 6 1.50 36 6 1.50 37 8 1.40 38 8 1.40 39 7 1.50 40 7 1.50 41 7 1.50 42 7 1.50 43 26 2.00 44 1 1.20 45 1 1.20 46 1 1.20 47 1 1.20 48 1 1.20 49 1 1.20 50 1 1.20 51 1 1.20 52 1 1.20 53 1 1.20 54 1 1.20 55 1 1.20 56 1 1.20 57 1 1.20 58 1 1.20 59 1 1.20 60 1 1.20 61 1 1.20 62 1 1.20 63 1 1.20 64 1 1.20 65 1 1.20 66 1 1.20 67 1 1.20 68 1 1.20 69 1 1.20 70 1 1.20 71 1 1.20 72 1 1.20 73 1 1.20 74 7 1.50 75 1 1.20 76 6 1.50 77 1 1.20 78 6 1.50 79 1 1.20 80 1 1.20 81 16 1.75 82 6 1.50 83 8 1.40 84 8 1.40 85 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 1 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density ********************************************************************** Atomic Center 1 is at -2.050609 0.081343 -1.234460 Atomic Center 2 is at 1.168117 3.505230 -0.444696 Atomic Center 3 is at 4.565080 0.087331 -0.514732 Atomic Center 4 is at 1.299323 -3.253419 -0.989654 Atomic Center 5 is at -1.553343 1.345640 -0.933229 Atomic Center 6 is at -2.259789 2.621860 -0.944384 Atomic Center 7 is at -1.317648 3.597424 -0.706692 Atomic Center 8 is at -0.071779 2.906111 -0.584798 Atomic Center 9 is at -1.510475 5.162230 -0.596084 Atomic Center 10 is at -3.747299 2.828427 -1.153280 Atomic Center 11 is at -4.548164 2.803417 0.100906 Atomic Center 12 is at -6.024577 3.079430 -0.120646 Atomic Center 13 is at -6.548512 3.998759 0.519850 Atomic Center 14 is at -6.662004 2.448768 -0.919076 Atomic Center 15 is at 2.445067 2.890846 -0.370267 Atomic Center 16 is at 3.677153 3.592590 -0.251799 Atomic Center 17 is at 4.670224 2.606706 -0.325953 Atomic Center 18 is at 3.963720 1.355451 -0.461355 Atomic Center 19 is at 3.753448 5.122115 -0.110886 Atomic Center 20 is at 6.108280 2.714720 -0.255298 Atomic Center 21 is at 6.929093 3.882822 0.023199 Atomic Center 22 is at 3.984621 -1.179766 -0.323431 Atomic Center 23 is at 4.700176 -2.378096 -0.192078 Atomic Center 24 is at 3.761077 -3.406289 -0.397769 Atomic Center 25 is at 2.524604 -2.717427 -0.649647 Atomic Center 26 is at 6.198140 -2.514643 0.120697 Atomic Center 27 is at 3.883915 -4.783815 -0.405101 Atomic Center 28 is at 3.572696 -5.680311 0.595611 Atomic Center 29 is at 0.080810 -2.635149 -1.148837 Atomic Center 30 is at -1.112257 -3.319998 -1.381379 Atomic Center 31 is at -2.092928 -2.402804 -1.433149 Atomic Center 32 is at -1.443835 -1.156762 -1.133400 Atomic Center 33 is at -1.271572 -4.831071 -1.654957 Atomic Center 34 is at -3.621618 -2.574591 -1.613443 Atomic Center 35 is at -4.351420 -2.761146 -0.284818 Atomic Center 36 is at -5.882576 -2.861292 -0.269562 Atomic Center 37 is at -6.492607 -3.226062 0.742441 Atomic Center 38 is at -6.492672 -2.518250 -1.297243 Atomic Center 39 is at -0.222476 1.565813 -0.711309 Atomic Center 40 is at 2.656419 1.561763 -0.491899 Atomic Center 41 is at 2.714890 -1.391920 -0.586095 Atomic Center 42 is at -0.144628 -1.328862 -0.975640 Atomic Center 43 is at 1.193663 0.045608 -0.632180 Atomic Center 44 is at -2.983338 -0.019670 -1.581898 Atomic Center 45 is at 1.237901 4.500510 -0.382102 Atomic Center 46 is at 5.541660 0.005217 -0.712648 Atomic Center 47 is at 1.380501 -4.241075 -1.126460 Atomic Center 48 is at -1.885677 5.514356 -1.453438 Atomic Center 49 is at -0.627377 5.595800 -0.416651 Atomic Center 50 is at -2.141268 5.368720 0.152717 Atomic Center 51 is at -4.105360 2.105365 -1.743858 Atomic Center 52 is at -3.903440 3.717164 -1.583607 Atomic Center 53 is at -4.189742 3.485049 0.739435 Atomic Center 54 is at -4.490004 1.894996 0.515797 Atomic Center 55 is at 3.336271 5.552324 -0.911055 Atomic Center 56 is at 4.710928 5.403836 -0.042689 Atomic Center 57 is at 3.263055 5.406103 0.712741 Atomic Center 58 is at 6.678590 1.908436 -0.409836 Atomic Center 59 is at 6.496751 4.766648 0.199149 Atomic Center 60 is at 7.926001 3.801720 0.038384 Atomic Center 61 is at 6.730756 -2.062593 -0.594510 Atomic Center 62 is at 6.444470 -3.482774 0.156674 Atomic Center 63 is at 6.395193 -2.088089 1.002767 Atomic Center 64 is at 4.239819 -5.250369 -1.215450 Atomic Center 65 is at 3.205272 -5.350859 1.465852 Atomic Center 66 is at 3.713804 -6.659785 0.451159 Atomic Center 67 is at -1.925295 -5.220356 -1.005980 Atomic Center 68 is at -0.386914 -5.284448 -1.548075 Atomic Center 69 is at -1.605793 -4.967919 -2.587158 Atomic Center 70 is at -3.802439 -3.379326 -2.178405 Atomic Center 71 is at -3.998797 -1.763054 -2.059506 Atomic Center 72 is at -4.138603 -1.996757 0.323623 Atomic Center 73 is at -4.056645 -3.616716 0.140756 Atomic Center 74 is at -2.302332 0.816547 3.387705 Atomic Center 75 is at -2.631537 0.502995 4.289194 Atomic Center 76 is at -1.323220 -0.007438 2.683101 Atomic Center 77 is at -1.720813 -0.321121 1.718128 Atomic Center 78 is at -0.033752 0.804655 2.443858 Atomic Center 79 is at -0.195193 1.620470 1.739274 Atomic Center 80 is at 0.371258 1.203738 3.374452 Atomic Center 81 is at 1.273531 -0.226184 1.728650 Atomic Center 82 is at -0.987758 -1.240690 3.545649 Atomic Center 83 is at -0.510949 -1.096032 4.618326 Atomic Center 84 is at -1.176425 -2.375616 3.112295 Atomic Center 85 is at -2.629008 1.666855 2.976011 ESP Fit Center 86 is at -3.100609 0.081343 0.584193 ESP Fit Center 87 is at -1.000609 0.081343 -3.053113 ESP Fit Center 88 is at -1.525609 0.990670 -3.053113 ESP Fit Center 89 is at -2.575609 0.990670 -3.053113 ESP Fit Center 90 is at -2.575609 -0.827984 -3.053113 ESP Fit Center 91 is at -2.050609 0.081343 -3.334460 ESP Fit Center 92 is at 1.168117 3.505230 1.655304 ESP Fit Center 93 is at 1.693117 4.414556 1.373957 ESP Fit Center 94 is at 0.643117 4.414556 1.373957 ESP Fit Center 95 is at 1.693117 4.414556 -2.263350 ESP Fit Center 96 is at 0.643117 4.414556 -2.263350 ESP Fit Center 97 is at 1.168117 3.505230 -2.544696 ESP Fit Center 98 is at 4.565080 0.087331 1.585268 ESP Fit Center 99 is at 5.615080 0.087331 1.303921 ESP Fit Center 100 is at 5.090080 0.996658 1.303921 ESP Fit Center 101 is at 5.090080 0.996658 -2.333386 ESP Fit Center 102 is at 3.515080 0.087331 -2.333386 ESP Fit Center 103 is at 5.090080 -0.821995 -2.333386 ESP Fit Center 104 is at 4.565080 0.087331 -2.614732 ESP Fit Center 105 is at 1.299323 -3.253419 1.110346 ESP Fit Center 106 is at 0.774323 -4.162746 0.828999 ESP Fit Center 107 is at 1.824323 -4.162746 0.828999 ESP Fit Center 108 is at 0.108358 -4.627866 0.060346 ESP Fit Center 109 is at 2.349323 -3.253419 -2.808308 ESP Fit Center 110 is at 1.824323 -2.344093 -2.808308 ESP Fit Center 111 is at 0.774323 -4.162746 -2.808308 ESP Fit Center 112 is at 1.824323 -4.162746 -2.808308 ESP Fit Center 113 is at 1.299323 -3.253419 -3.089654 ESP Fit Center 114 is at -2.603343 1.345640 0.885425 ESP Fit Center 115 is at -1.028343 2.254967 -2.751882 ESP Fit Center 116 is at -1.553343 1.345640 -3.033229 ESP Fit Center 117 is at -2.259789 2.621860 1.155616 ESP Fit Center 118 is at -2.784789 1.712533 0.874269 ESP Fit Center 119 is at -1.209789 2.621860 -2.763038 ESP Fit Center 120 is at -2.784789 1.712533 -2.763038 ESP Fit Center 121 is at -2.259789 2.621860 -3.044384 ESP Fit Center 122 is at -1.317648 3.597424 1.393308 ESP Fit Center 123 is at -2.367648 3.597424 1.111961 ESP Fit Center 124 is at -0.792648 4.506751 -2.525345 ESP Fit Center 125 is at -1.317648 3.597424 -2.806692 ESP Fit Center 126 is at 0.453221 3.815438 -2.403451 ESP Fit Center 127 is at -0.071779 2.906111 -2.684798 ESP Fit Center 128 is at -0.460475 5.162230 1.222569 ESP Fit Center 129 is at -0.985475 6.071556 1.222569 ESP Fit Center 130 is at -1.257348 7.246918 -0.596084 ESP Fit Center 131 is at -2.255145 7.125764 -0.596084 ESP Fit Center 132 is at -3.082347 6.554787 -0.596084 ESP Fit Center 133 is at -0.754979 6.816535 -1.646084 ESP Fit Center 134 is at -0.460475 5.162230 -2.414737 ESP Fit Center 135 is at -3.747299 2.828427 -3.253280 ESP Fit Center 136 is at -5.598164 2.803417 1.919559 ESP Fit Center 137 is at -6.549577 2.170103 1.698008 ESP Fit Center 138 is at -7.215541 1.704984 0.929354 ESP Fit Center 139 is at -6.283398 1.279288 0.929354 ESP Fit Center 140 is at -5.269081 4.733735 -1.170646 ESP Fit Center 141 is at -6.548512 3.998759 2.479850 ESP Fit Center 142 is at -5.568512 3.998759 2.217260 ESP Fit Center 143 is at -6.058512 4.847464 2.217260 ESP Fit Center 144 is at -7.038512 4.847464 2.217260 ESP Fit Center 145 is at -7.528512 3.998759 2.217260 ESP Fit Center 146 is at -7.038512 3.150054 2.217260 ESP Fit Center 147 is at -6.058512 3.150054 2.217260 ESP Fit Center 148 is at -5.175278 4.996472 1.499850 ESP Fit Center 149 is at -6.023983 5.613092 1.499850 ESP Fit Center 150 is at -7.073040 5.613092 1.499850 ESP Fit Center 151 is at -7.921745 4.996472 1.499850 ESP Fit Center 152 is at -8.245921 3.998759 1.499850 ESP Fit Center 153 is at -7.921745 3.001047 1.499850 ESP Fit Center 154 is at -5.568512 5.696169 0.519850 ESP Fit Center 155 is at -6.548512 5.958759 0.519850 ESP Fit Center 156 is at -7.528512 5.696169 0.519850 ESP Fit Center 157 is at -8.245921 4.978759 0.519850 ESP Fit Center 158 is at -8.508512 3.998759 0.519850 ESP Fit Center 159 is at -8.245921 3.018759 0.519850 ESP Fit Center 160 is at -5.175278 4.996472 -0.460150 ESP Fit Center 161 is at -6.023983 5.613092 -0.460150 ESP Fit Center 162 is at -7.073040 5.613092 -0.460150 ESP Fit Center 163 is at -7.921745 4.996472 -0.460150 ESP Fit Center 164 is at -8.245921 3.998759 -0.460150 ESP Fit Center 165 is at -7.038512 4.847464 -1.177560 ESP Fit Center 166 is at -8.359414 2.448768 0.060924 ESP Fit Center 167 is at -8.035237 1.451056 0.060924 ESP Fit Center 168 is at -7.186532 0.834436 0.060924 ESP Fit Center 169 is at -6.137475 0.834436 0.060924 ESP Fit Center 170 is at -8.359414 3.428768 -0.919076 ESP Fit Center 171 is at -8.622004 2.448768 -0.919076 ESP Fit Center 172 is at -8.359414 1.468768 -0.919076 ESP Fit Center 173 is at -7.642004 0.751358 -0.919076 ESP Fit Center 174 is at -6.662004 0.488768 -0.919076 ESP Fit Center 175 is at -5.682004 0.751358 -0.919076 ESP Fit Center 176 is at -7.186532 4.063101 -1.899076 ESP Fit Center 177 is at -8.035237 3.446481 -1.899076 ESP Fit Center 178 is at -8.359414 2.448768 -1.899076 ESP Fit Center 179 is at -8.035237 1.451056 -1.899076 ESP Fit Center 180 is at -7.186532 0.834436 -1.899076 ESP Fit Center 181 is at -6.137475 0.834436 -1.899076 ESP Fit Center 182 is at -5.682004 2.448768 -2.616486 ESP Fit Center 183 is at -6.172004 3.297473 -2.616486 ESP Fit Center 184 is at -7.152004 3.297473 -2.616486 ESP Fit Center 185 is at -7.642004 2.448768 -2.616486 ESP Fit Center 186 is at -7.152004 1.600063 -2.616486 ESP Fit Center 187 is at -6.172004 1.600063 -2.616486 ESP Fit Center 188 is at -6.662004 2.448768 -2.879076 ESP Fit Center 189 is at 2.445067 2.890846 1.729733 ESP Fit Center 190 is at 2.445067 2.890846 -2.470267 ESP Fit Center 191 is at 3.677153 3.592590 1.848201 ESP Fit Center 192 is at 4.727153 3.592590 1.566854 ESP Fit Center 193 is at 4.202153 4.501917 -2.070453 ESP Fit Center 194 is at 3.677153 3.592590 -2.351799 ESP Fit Center 195 is at 4.670224 2.606706 1.774047 ESP Fit Center 196 is at 5.195224 3.516033 1.492700 ESP Fit Center 197 is at 5.195224 1.697379 1.492700 ESP Fit Center 198 is at 5.195224 3.516033 -2.144606 ESP Fit Center 199 is at 3.620224 2.606706 -2.144606 ESP Fit Center 200 is at 5.195224 1.697379 -2.144606 ESP Fit Center 201 is at 4.670224 2.606706 -2.425953 ESP Fit Center 202 is at 3.963720 1.355451 1.638645 ESP Fit Center 203 is at 5.013720 1.355451 1.357298 ESP Fit Center 204 is at 5.013720 1.355451 -2.280009 ESP Fit Center 205 is at 3.438720 0.446124 -2.280009 ESP Fit Center 206 is at 3.963720 1.355451 -2.561355 ESP Fit Center 207 is at 4.803448 5.122115 1.707767 ESP Fit Center 208 is at 4.278448 4.212788 1.707767 ESP Fit Center 209 is at 4.508943 6.776420 0.939114 ESP Fit Center 210 is at 4.006575 7.206804 -0.110886 ESP Fit Center 211 is at 3.008777 7.085649 -0.110886 ESP Fit Center 212 is at 2.181575 6.514673 -0.110886 ESP Fit Center 213 is at 4.508943 6.776420 -1.160886 ESP Fit Center 214 is at 4.803448 5.122115 -1.929540 ESP Fit Center 215 is at 6.108280 2.714720 1.844702 ESP Fit Center 216 is at 5.583280 1.805394 1.563355 ESP Fit Center 217 is at 6.633280 1.805394 1.563355 ESP Fit Center 218 is at 7.158280 2.714720 -2.073951 ESP Fit Center 219 is at 6.633280 3.624047 -2.073951 ESP Fit Center 220 is at 5.583280 3.624047 -2.073951 ESP Fit Center 221 is at 5.583280 1.805394 -2.073951 ESP Fit Center 222 is at 6.108280 2.714720 -2.355298 ESP Fit Center 223 is at 6.929093 3.882822 2.123199 ESP Fit Center 224 is at 7.979093 3.882822 1.841852 ESP Fit Center 225 is at 7.454093 4.792149 1.841852 ESP Fit Center 226 is at 5.879093 3.882822 1.841852 ESP Fit Center 227 is at 6.404093 2.973496 1.841852 ESP Fit Center 228 is at 7.454093 2.973496 1.841852 ESP Fit Center 229 is at 7.684589 2.228517 1.073199 ESP Fit Center 230 is at 8.122029 5.611088 0.023199 ESP Fit Center 231 is at 7.684589 5.537128 -1.026801 ESP Fit Center 232 is at 7.979093 3.882822 -1.795454 ESP Fit Center 233 is at 7.454093 4.792149 -1.795454 ESP Fit Center 234 is at 6.404093 4.792149 -1.795454 ESP Fit Center 235 is at 6.929093 3.882822 -2.076801 ESP Fit Center 236 is at 3.984621 -1.179766 1.776569 ESP Fit Center 237 is at 3.459621 -2.089093 1.495223 ESP Fit Center 238 is at 5.034621 -1.179766 -2.142084 ESP Fit Center 239 is at 3.984621 -1.179766 -2.423431 ESP Fit Center 240 is at 4.700176 -2.378096 1.907922 ESP Fit Center 241 is at 3.650176 -2.378096 1.626575 ESP Fit Center 242 is at 5.750176 -2.378096 -2.010731 ESP Fit Center 243 is at 5.225176 -1.468770 -2.010731 ESP Fit Center 244 is at 5.225176 -3.287423 -2.010731 ESP Fit Center 245 is at 4.700176 -2.378096 -2.292078 ESP Fit Center 246 is at 3.761077 -3.406289 1.702231 ESP Fit Center 247 is at 3.236077 -2.496962 1.420884 ESP Fit Center 248 is at 2.711077 -3.406289 1.420884 ESP Fit Center 249 is at 4.811077 -3.406289 -2.216423 ESP Fit Center 250 is at 3.761077 -3.406289 -2.497769 ESP Fit Center 251 is at 2.524604 -2.717427 1.450353 ESP Fit Center 252 is at 1.474604 -2.717427 1.169006 ESP Fit Center 253 is at 1.999604 -3.626754 1.169006 ESP Fit Center 254 is at 3.574604 -2.717427 -2.468300 ESP Fit Center 255 is at 3.049604 -3.626754 -2.468300 ESP Fit Center 256 is at 2.524604 -2.717427 -2.749647 ESP Fit Center 257 is at 5.673140 -3.423970 1.939350 ESP Fit Center 258 is at 8.016793 -2.514643 1.170697 ESP Fit Center 259 is at 8.298140 -2.514643 0.120697 ESP Fit Center 260 is at 7.728088 -3.497881 -0.929303 ESP Fit Center 261 is at 6.723140 -3.423970 -1.697957 ESP Fit Center 262 is at 5.743372 -5.759733 -0.405101 ESP Fit Center 263 is at 2.692950 -6.158261 -1.455101 ESP Fit Center 264 is at 2.833915 -4.783815 -2.223755 ESP Fit Center 265 is at 4.622696 -5.680311 2.414265 ESP Fit Center 266 is at 4.097696 -6.589637 2.414265 ESP Fit Center 267 is at 5.391349 -5.680311 1.645611 ESP Fit Center 268 is at 5.102644 -4.697072 1.645611 ESP Fit Center 269 is at 4.328191 -4.026005 1.645611 ESP Fit Center 270 is at 2.381731 -7.054757 1.645611 ESP Fit Center 271 is at 5.102644 -6.663549 1.645611 ESP Fit Center 272 is at 5.672696 -5.680311 0.595611 ESP Fit Center 273 is at 1.533718 -5.177748 0.595611 ESP Fit Center 274 is at 1.533718 -6.182874 0.595611 ESP Fit Center 275 is at 2.000823 -7.072868 0.595611 ESP Fit Center 276 is at 5.432153 -6.656229 0.595611 ESP Fit Center 277 is at 1.827710 -6.192685 -0.454389 ESP Fit Center 278 is at 3.047696 -6.589637 -1.223042 ESP Fit Center 279 is at 0.080810 -2.635149 0.951163 ESP Fit Center 280 is at -0.969190 -2.635149 0.669817 ESP Fit Center 281 is 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ESP Fit Center 318 is at -5.119374 -2.228350 1.722441 ESP Fit Center 319 is at -5.968079 -1.611729 1.722441 ESP Fit Center 320 is at -7.017136 -1.611729 1.722441 ESP Fit Center 321 is at -7.865841 -2.228350 1.722441 ESP Fit Center 322 is at -8.190017 -3.226062 1.722441 ESP Fit Center 323 is at -7.865841 -4.223775 1.722441 ESP Fit Center 324 is at -7.017136 -4.840395 1.722441 ESP Fit Center 325 is at -5.968079 -4.840395 1.722441 ESP Fit Center 326 is at -5.119374 -4.223775 1.722441 ESP Fit Center 327 is at -7.472607 -1.528652 0.742441 ESP Fit Center 328 is at -8.190017 -2.246062 0.742441 ESP Fit Center 329 is at -8.452607 -3.226062 0.742441 ESP Fit Center 330 is at -8.190017 -4.206062 0.742441 ESP Fit Center 331 is at -7.472607 -4.923472 0.742441 ESP Fit Center 332 is at -6.492607 -5.186062 0.742441 ESP Fit Center 333 is at -5.512607 -4.923472 0.742441 ESP Fit Center 334 is at -8.190017 -3.226062 -0.237559 ESP Fit Center 335 is at -7.865841 -4.223775 -0.237559 ESP Fit Center 336 is at 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Fit Center 542 is at 7.382672 -2.088089 2.361916 ESP Fit Center 543 is at 6.700341 -1.148941 2.361916 ESP Fit Center 544 is at 5.596305 -1.507663 2.361916 ESP Fit Center 545 is at 5.596305 -2.668515 2.361916 ESP Fit Center 546 is at 6.700341 -3.027238 2.361916 ESP Fit Center 547 is at 7.992968 -2.088089 1.521916 ESP Fit Center 548 is at 7.619159 -1.061059 1.521916 ESP Fit Center 549 is at 6.672644 -0.514588 1.521916 ESP Fit Center 550 is at 5.596305 -0.704375 1.521916 ESP Fit Center 551 is at 5.463786 -6.277399 -0.696301 ESP Fit Center 552 is at 5.837594 -5.250369 -1.734598 ESP Fit Center 553 is at 5.463786 -4.223339 -1.734598 ESP Fit Center 554 is at 3.440932 -6.634083 -1.734598 ESP Fit Center 555 is at 4.517270 -6.823870 -1.734598 ESP Fit Center 556 is at 5.463786 -6.277399 -1.734598 ESP Fit Center 557 is at 5.227298 -5.250369 -2.574598 ESP Fit Center 558 is at 4.544967 -4.311221 -2.574598 ESP Fit Center 559 is at 3.440932 -4.669943 -2.574598 ESP Fit Center 560 is at 3.440932 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is at -3.026736 -1.743253 3.545649 ESP Fit Center 710 is at 0.871699 -2.216608 3.545649 ESP Fit Center 711 is at -0.510949 -1.096032 6.578326 ESP Fit Center 712 is at 0.469051 -1.096032 6.315736 ESP Fit Center 713 is at -0.020949 -0.247327 6.315736 ESP Fit Center 714 is at -1.000949 -0.247327 6.315736 ESP Fit Center 715 is at -1.490949 -1.096032 6.315736 ESP Fit Center 716 is at -1.000949 -1.944737 6.315736 ESP Fit Center 717 is at -0.020949 -1.944737 6.315736 ESP Fit Center 718 is at 1.186461 -1.096032 5.598326 ESP Fit Center 719 is at 0.862284 -0.098319 5.598326 ESP Fit Center 720 is at 0.013580 0.518301 5.598326 ESP Fit Center 721 is at -1.035477 0.518301 5.598326 ESP Fit Center 722 is at -2.208359 -1.096032 5.598326 ESP Fit Center 723 is at -1.884182 -2.093744 5.598326 ESP Fit Center 724 is at -1.035477 -2.710364 5.598326 ESP Fit Center 725 is at 0.013580 -2.710364 5.598326 ESP Fit Center 726 is at 0.862284 -2.093744 5.598326 ESP Fit Center 727 is at 1.449051 -1.096032 4.618326 ESP Fit Center 728 is at 1.186461 -0.116032 4.618326 ESP Fit Center 729 is at 0.469051 -2.793441 4.618326 ESP Fit Center 730 is at 1.186461 -2.076032 4.618326 ESP Fit Center 731 is at -1.666425 -3.224321 4.809705 ESP Fit Center 732 is at -0.686425 -3.224321 4.809705 ESP Fit Center 733 is at -2.873835 -2.375616 4.092295 ESP Fit Center 734 is at -2.549659 -3.373329 4.092295 ESP Fit Center 735 is at -1.700954 -3.989949 4.092295 ESP Fit Center 736 is at -0.651897 -3.989949 4.092295 ESP Fit Center 737 is at 0.196808 -3.373329 4.092295 ESP Fit Center 738 is at 0.783575 -2.375616 3.112295 ESP Fit Center 739 is at -3.136425 -2.375616 3.112295 ESP Fit Center 740 is at -2.873835 -3.355616 3.112295 ESP Fit Center 741 is at -2.156425 -4.073026 3.112295 ESP Fit Center 742 is at -1.176425 -4.335616 3.112295 ESP Fit Center 743 is at -0.196425 -4.073026 3.112295 ESP Fit Center 744 is at 0.520984 -3.355616 3.112295 ESP Fit Center 745 is at -2.873835 -2.375616 2.132295 ESP Fit Center 746 is at -2.549659 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is at -1.009288 0.081343 -3.396785 ESP Fit Center 766 is at -1.529948 0.983153 -3.396785 ESP Fit Center 767 is at -2.571269 0.983153 -3.396785 ESP Fit Center 768 is at -2.571269 -0.820468 -3.396785 ESP Fit Center 769 is at -2.050609 0.081343 -3.634460 ESP Fit Center 770 is at 1.168117 3.505230 1.955304 ESP Fit Center 771 is at 1.688777 4.407040 1.717629 ESP Fit Center 772 is at 0.647456 4.407040 1.717629 ESP Fit Center 773 is at 1.688777 4.407040 -2.607022 ESP Fit Center 774 is at 0.647456 4.407040 -2.607022 ESP Fit Center 775 is at 1.168117 3.505230 -2.844696 ESP Fit Center 776 is at 4.565080 0.087331 1.885268 ESP Fit Center 777 is at 5.606401 0.087331 1.647593 ESP Fit Center 778 is at 5.085741 0.989142 1.647593 ESP Fit Center 779 is at 6.441476 0.087331 0.981643 ESP Fit Center 780 is at 5.606401 0.087331 -2.677058 ESP Fit Center 781 is at 5.085741 0.989142 -2.677058 ESP Fit Center 782 is at 5.085741 -0.814479 -2.677058 ESP Fit Center 783 is at 4.565080 0.087331 -2.914732 ESP Fit Center 784 is at 1.299323 -3.253419 1.410346 ESP Fit Center 785 is at 0.258002 -3.253419 1.172671 ESP Fit Center 786 is at 0.778663 -4.155230 1.172671 ESP Fit Center 787 is at 0.070545 -4.671504 0.506721 ESP Fit Center 788 is at 2.340644 -3.253419 -3.151979 ESP Fit Center 789 is at 1.819984 -2.351609 -3.151979 ESP Fit Center 790 is at 0.778663 -4.155230 -3.151979 ESP Fit Center 791 is at 1.819984 -4.155230 -3.151979 ESP Fit Center 792 is at 1.299323 -3.253419 -3.389654 ESP Fit Center 793 is at -0.512022 1.345640 -3.095554 ESP Fit Center 794 is at -1.032682 2.247450 -3.095554 ESP Fit Center 795 is at -1.553343 1.345640 -3.333229 ESP Fit Center 796 is at -1.218468 2.621860 -3.106710 ESP Fit Center 797 is at -1.739128 3.523670 -3.106710 ESP Fit Center 798 is at -2.780449 1.720049 -3.106710 ESP Fit Center 799 is at -2.259789 2.621860 -3.344384 ESP Fit Center 800 is at -1.317648 3.597424 1.693308 ESP Fit Center 801 is at -2.358969 3.597424 1.455633 ESP Fit Center 802 is at -1.838309 2.695614 1.455633 ESP Fit Center 803 is at -0.796988 4.499234 -2.869017 ESP Fit Center 804 is at -0.796988 2.695614 -2.869017 ESP Fit Center 805 is at -1.317648 3.597424 -3.106692 ESP Fit Center 806 is at -0.592440 3.807921 1.577527 ESP Fit Center 807 is at 0.448881 3.807921 -2.747123 ESP Fit Center 808 is at -0.071779 2.906111 -2.984798 ESP Fit Center 809 is at -0.469154 5.162230 1.566241 ESP Fit Center 810 is at -0.989814 6.064040 1.566241 ESP Fit Center 811 is at -2.031135 7.443392 -0.062034 ESP Fit Center 812 is at -0.989814 7.443392 -1.130134 ESP Fit Center 813 is at -2.031135 7.443392 -1.130134 ESP Fit Center 814 is at 0.365921 5.162230 -2.092459 ESP Fit Center 815 is at -0.469154 5.162230 -2.758409 ESP Fit Center 816 is at -5.547687 3.357069 -2.649656 ESP Fit Center 817 is at -2.705978 2.828427 -3.315606 ESP Fit Center 818 is at -3.747299 2.828427 -3.553280 ESP Fit Center 819 is at -4.548164 2.803417 2.500906 ESP Fit Center 820 is at -5.589485 2.803417 2.263231 ESP Fit Center 821 is at -6.545237 2.177620 2.041680 ESP Fit Center 822 is at -7.253354 1.661345 1.375730 ESP Fit Center 823 is at -6.291616 1.222133 1.375730 ESP Fit Center 824 is at -6.291616 4.936727 -1.617021 ESP Fit Center 825 is at -7.253354 4.497515 -1.617021 ESP Fit Center 826 is at -6.548512 3.998759 2.759850 ESP Fit Center 827 is at -5.576612 3.998759 2.538020 ESP Fit Center 828 is at -6.062562 4.840449 2.538020 ESP Fit Center 829 is at -7.034461 4.840449 2.538020 ESP Fit Center 830 is at -7.520411 3.998759 2.538020 ESP Fit Center 831 is at -7.034461 3.157069 2.538020 ESP Fit Center 832 is at -6.062562 3.157069 2.538020 ESP Fit Center 833 is at -5.131678 5.028149 1.916467 ESP Fit Center 834 is at -6.007329 5.664347 1.916467 ESP Fit Center 835 is at -7.089694 5.664347 1.916467 ESP Fit Center 836 is at -7.965345 5.028149 1.916467 ESP Fit Center 837 is at -8.299814 3.998759 1.916467 ESP Fit Center 838 is at -7.965345 2.969369 1.916467 ESP Fit Center 839 is at -7.089694 2.333172 1.916467 ESP Fit Center 840 is at -5.307950 5.796023 1.018297 ESP Fit Center 841 is at -6.285279 6.166675 1.018297 ESP Fit Center 842 is at -7.322911 6.040684 1.018297 ESP Fit Center 843 is at -8.183138 5.446912 1.018297 ESP Fit Center 844 is at -8.668892 4.521386 1.018297 ESP Fit Center 845 is at -8.668892 3.476132 1.018297 ESP Fit Center 846 is at -8.183138 2.550606 1.018297 ESP Fit Center 847 is at -5.307950 5.796023 0.021403 ESP Fit Center 848 is at -6.285279 6.166675 0.021403 ESP Fit Center 849 is at -7.322911 6.040684 0.021403 ESP Fit Center 850 is at -8.183138 5.446912 0.021403 ESP Fit Center 851 is at -8.668892 4.521386 0.021403 ESP Fit Center 852 is at -8.668892 3.476132 0.021403 ESP Fit Center 853 is at -6.007329 5.664347 -0.876767 ESP Fit Center 854 is at -7.089694 5.664347 -0.876767 ESP Fit Center 855 is at -7.965345 5.028149 -0.876767 ESP Fit Center 856 is at -8.299814 3.998759 -0.876767 ESP Fit Center 857 is at -7.034461 4.840449 -1.498320 ESP Fit Center 858 is at -8.413306 2.448768 0.477541 ESP Fit Center 859 is at -8.078837 1.419378 0.477541 ESP Fit Center 860 is at -7.203186 0.783181 0.477541 ESP Fit Center 861 is at -8.782384 2.971395 -0.420629 ESP Fit Center 862 is at -8.782384 1.926141 -0.420629 ESP Fit Center 863 is at -8.296630 1.000615 -0.420629 ESP Fit Center 864 is at -7.436404 0.406844 -0.420629 ESP Fit Center 865 is at -6.398771 0.280852 -0.420629 ESP Fit Center 866 is at -8.296630 3.896921 -1.417523 ESP Fit Center 867 is at -8.782384 2.971395 -1.417523 ESP Fit Center 868 is at -8.782384 1.926141 -1.417523 ESP Fit Center 869 is at -8.296630 1.000615 -1.417523 ESP Fit Center 870 is at -7.436404 0.406844 -1.417523 ESP Fit Center 871 is at -6.398771 0.280852 -1.417523 ESP Fit Center 872 is at -5.421442 0.651504 -1.417523 ESP Fit Center 873 is at -6.120822 4.114356 -2.315693 ESP Fit Center 874 is at -7.203186 4.114356 -2.315693 ESP Fit Center 875 is at -8.078837 3.478158 -2.315693 ESP Fit Center 876 is at -8.413306 2.448768 -2.315693 ESP Fit Center 877 is at -8.078837 1.419378 -2.315693 ESP Fit Center 878 is at -7.203186 0.783181 -2.315693 ESP Fit Center 879 is at -6.120822 0.783181 -2.315693 ESP Fit Center 880 is at -5.690104 2.448768 -2.937247 ESP Fit Center 881 is at -6.176054 3.290458 -2.937247 ESP Fit Center 882 is at -7.147954 3.290458 -2.937247 ESP Fit Center 883 is at -7.633903 2.448768 -2.937247 ESP Fit Center 884 is at -7.147954 1.607079 -2.937247 ESP Fit Center 885 is at -6.176054 1.607079 -2.937247 ESP Fit Center 886 is at -6.662004 2.448768 -3.159076 ESP Fit Center 887 is at 2.445067 2.890846 2.029733 ESP Fit Center 888 is at 2.445067 2.890846 -2.770267 ESP Fit Center 889 is at 3.677153 3.592590 2.148201 ESP Fit Center 890 is at 4.718474 3.592590 1.910526 ESP Fit Center 891 is at 4.197814 4.494400 -2.414124 ESP Fit Center 892 is at 3.677153 3.592590 -2.651799 ESP Fit Center 893 is at 4.670224 2.606706 2.074047 ESP Fit Center 894 is at 5.190884 3.508516 1.836372 ESP Fit Center 895 is at 5.190884 1.704896 1.836372 ESP Fit Center 896 is at 5.190884 3.508516 -2.488278 ESP Fit Center 897 is at 3.628903 2.606706 -2.488278 ESP Fit Center 898 is at 4.670224 2.606706 -2.725953 ESP Fit Center 899 is at 3.963720 1.355451 1.938645 ESP Fit Center 900 is at 5.005041 1.355451 1.700970 ESP Fit Center 901 is at 5.005041 1.355451 -2.623681 ESP Fit Center 902 is at 3.963720 1.355451 -2.861355 ESP Fit Center 903 is at 4.794768 5.122115 2.051439 ESP Fit Center 904 is at 4.274108 4.220305 2.051439 ESP Fit Center 905 is at 4.532930 6.828944 1.385489 ESP Fit Center 906 is at 4.274108 7.403278 0.423164 ESP Fit Center 907 is at 3.232787 7.403278 0.423164 ESP Fit Center 908 is at 4.274108 7.403278 -0.644937 ESP Fit Center 909 is at 4.794768 5.122115 -2.273212 ESP Fit Center 910 is at 6.108280 2.714720 2.144702 ESP Fit Center 911 is at 5.587620 1.812910 1.907027 ESP Fit Center 912 is at 6.628941 1.812910 1.907027 ESP Fit Center 913 is at 7.686805 1.700264 1.241078 ESP Fit Center 914 is at 7.149601 2.714720 -2.417623 ESP Fit Center 915 is at 6.628941 3.616531 -2.417623 ESP Fit Center 916 is at 5.587620 3.616531 -2.417623 ESP Fit Center 917 is at 5.587620 1.812910 -2.417623 ESP Fit Center 918 is at 6.628941 1.812910 -2.417623 ESP Fit Center 919 is at 6.108280 2.714720 -2.655298 ESP Fit Center 920 is at 6.929093 3.882822 2.423199 ESP Fit Center 921 is at 7.970414 3.882822 2.185524 ESP Fit Center 922 is at 7.449753 4.784633 2.185524 ESP Fit Center 923 is at 6.408432 4.784633 2.185524 ESP Fit Center 924 is at 5.887772 3.882822 2.185524 ESP Fit Center 925 is at 6.408432 2.981012 2.185524 ESP Fit Center 926 is at 7.449753 2.981012 2.185524 ESP Fit Center 927 is at 8.507617 4.897278 1.519575 ESP Fit Center 928 is at 7.708576 5.589652 1.519575 ESP Fit Center 929 is at 7.708576 2.175993 1.519575 ESP Fit Center 930 is at 8.387951 5.712173 0.557249 ESP Fit Center 931 is at 8.387951 5.712173 -0.510851 ESP Fit Center 932 is at 8.507617 4.897278 -1.473176 ESP Fit Center 933 is at 7.708576 5.589652 -1.473176 ESP Fit Center 934 is at 6.662054 5.740119 -1.473176 ESP Fit Center 935 is at 7.970414 3.882822 -2.139126 ESP Fit Center 936 is at 7.449753 4.784633 -2.139126 ESP Fit Center 937 is at 6.408432 4.784633 -2.139126 ESP Fit Center 938 is at 6.929093 3.882822 -2.376801 ESP Fit Center 939 is at 3.984621 -1.179766 2.076569 ESP Fit Center 940 is at 3.984621 -1.179766 -2.723431 ESP Fit Center 941 is at 4.700176 -2.378096 2.207922 ESP Fit Center 942 is at 3.658855 -2.378096 1.970247 ESP Fit Center 943 is at 4.179515 -3.279907 1.970247 ESP Fit Center 944 is at 5.741497 -2.378096 -2.354403 ESP Fit Center 945 is at 5.220836 -3.279907 -2.354403 ESP Fit Center 946 is at 4.700176 -2.378096 -2.592078 ESP Fit Center 947 is at 3.761077 -3.406289 2.002231 ESP Fit Center 948 is at 3.240417 -2.504478 1.764556 ESP Fit Center 949 is at 2.719756 -3.406289 1.764556 ESP Fit Center 950 is at 4.802398 -3.406289 -2.560095 ESP Fit Center 951 is at 4.281738 -2.504478 -2.560095 ESP Fit Center 952 is at 3.761077 -3.406289 -2.797769 ESP Fit Center 953 is at 2.003943 -3.619238 1.512678 ESP Fit Center 954 is at 3.565925 -2.717427 -2.811972 ESP Fit Center 955 is at 3.045264 -3.619238 -2.811972 ESP Fit Center 956 is at 2.524604 -2.717427 -3.049647 ESP Fit Center 957 is at 5.677479 -3.416453 2.283022 ESP Fit Center 958 is at 4.969362 -3.932728 1.617072 ESP Fit Center 959 is at 7.776664 -3.529099 1.617072 ESP Fit Center 960 is at 8.537967 -2.514643 0.654747 ESP Fit Center 961 is at 8.306251 -1.499430 0.654747 ESP Fit Center 962 is at 8.306251 -3.529856 0.654747 ESP Fit Center 963 is at 8.306251 -3.529856 -0.413353 ESP Fit Center 964 is at 7.776664 -3.529099 -1.375679 ESP Fit Center 965 is at 6.718800 -3.416453 -2.041628 ESP Fit Center 966 is at 5.992026 -5.799028 0.128949 ESP Fit Center 967 is at 2.655137 -6.201900 -1.901477 ESP Fit Center 968 is at 2.842594 -4.783815 -2.567427 ESP Fit Center 969 is at 4.614016 -5.680311 2.757936 ESP Fit Center 970 is at 4.093356 -6.582121 2.757936 ESP Fit Center 971 is at 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Center 990 is at -1.632917 -4.221808 0.780947 ESP Fit Center 991 is at -0.591596 -4.221808 0.780947 ESP Fit Center 992 is at -0.070936 -3.319998 -3.543704 ESP Fit Center 993 is at -0.591596 -2.418188 -3.543704 ESP Fit Center 994 is at -1.112257 -3.319998 -3.781379 ESP Fit Center 995 is at -2.092928 -2.402804 0.966851 ESP Fit Center 996 is at -1.572268 -1.500994 -3.595475 ESP Fit Center 997 is at -2.613589 -1.500994 -3.595475 ESP Fit Center 998 is at -2.092928 -2.402804 -3.833149 ESP Fit Center 999 is at -1.443835 -1.156762 -3.533400 ESP Fit Center 1000 is at -0.230251 -4.831071 0.507368 ESP Fit Center 1001 is at -0.750911 -5.732882 0.507368 ESP Fit Center 1002 is at -3.379683 -5.846284 -2.189007 ESP Fit Center 1003 is at -2.730430 -6.660422 -2.189007 ESP Fit Center 1004 is at -1.792232 -7.112234 -2.189007 ESP Fit Center 1005 is at -0.750911 -7.112234 -2.189007 ESP Fit Center 1006 is at 0.604824 -4.831071 -3.151332 ESP Fit Center 1007 is at -0.492089 -6.537901 -3.151332 ESP Fit Center 1008 is at -3.100958 -1.672781 -3.775768 ESP Fit Center 1009 is at -4.662939 -2.574591 -3.775768 ESP Fit Center 1010 is at -3.621618 -2.574591 -4.013443 ESP Fit Center 1011 is at -4.351420 -2.761146 2.115182 ESP Fit Center 1012 is at -2.475025 -2.761146 1.211558 ESP Fit Center 1013 is at -4.872081 -0.479984 -0.818868 ESP Fit Center 1014 is at -6.149615 -1.003996 1.226813 ESP Fit Center 1015 is at -6.403237 -0.580130 0.264488 ESP Fit Center 1016 is at -7.341434 -1.031942 0.264488 ESP Fit Center 1017 is at -5.361916 -5.142455 0.264488 ESP Fit Center 1018 is at -5.361916 -0.580130 -0.803613 ESP Fit Center 1019 is at -7.341434 -4.690643 -0.803613 ESP Fit Center 1020 is at -6.403237 -5.142455 -0.803613 ESP Fit Center 1021 is at -5.361916 -5.142455 -0.803613 ESP Fit Center 1022 is at -6.149615 -4.718589 -1.765938 ESP Fit Center 1023 is at -6.492607 -3.226062 2.982441 ESP Fit Center 1024 is at -5.520708 -3.226062 2.760611 ESP Fit Center 1025 is at -6.006658 -2.384372 2.760611 ESP Fit Center 1026 is at -6.978557 -2.384372 2.760611 ESP Fit Center 1027 is at -7.464507 -3.226062 2.760611 ESP Fit Center 1028 is at -6.978557 -4.067752 2.760611 ESP Fit Center 1029 is at -6.006658 -4.067752 2.760611 ESP Fit Center 1030 is at -4.741305 -3.226062 2.139058 ESP Fit Center 1031 is at -5.075774 -2.196672 2.139058 ESP Fit Center 1032 is at -5.951425 -1.560474 2.139058 ESP Fit Center 1033 is at -7.033790 -1.560474 2.139058 ESP Fit Center 1034 is at -7.909441 -2.196672 2.139058 ESP Fit Center 1035 is at -8.243910 -3.226062 2.139058 ESP Fit Center 1036 is at -7.909441 -4.255452 2.139058 ESP Fit Center 1037 is at -7.033790 -4.891650 2.139058 ESP Fit Center 1038 is at -5.951425 -4.891650 2.139058 ESP Fit Center 1039 is at -5.075774 -4.255452 2.139058 ESP Fit Center 1040 is at -7.267007 -1.184138 1.240887 ESP Fit Center 1041 is at -8.127234 -1.777909 1.240887 ESP Fit Center 1042 is at -8.612988 -2.703435 1.240887 ESP Fit Center 1043 is at -8.612988 -3.748689 1.240887 ESP Fit Center 1044 is at 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-6.229439 -0.350334 -1.795690 ESP Fit Center 1063 is at -7.267072 -0.476325 -1.795690 ESP Fit Center 1064 is at -8.127299 -1.070097 -1.795690 ESP Fit Center 1065 is at -8.613052 -1.995623 -1.795690 ESP Fit Center 1066 is at -8.613052 -3.040877 -1.795690 ESP Fit Center 1067 is at -8.127299 -3.966403 -1.795690 ESP Fit Center 1068 is at -7.267072 -4.560174 -1.795690 ESP Fit Center 1069 is at -6.229439 -4.686166 -1.795690 ESP Fit Center 1070 is at -5.951490 -0.852662 -2.693861 ESP Fit Center 1071 is at -7.033854 -0.852662 -2.693861 ESP Fit Center 1072 is at -7.909506 -1.488860 -2.693861 ESP Fit Center 1073 is at -8.243975 -2.518250 -2.693861 ESP Fit Center 1074 is at -7.909506 -3.547640 -2.693861 ESP Fit Center 1075 is at -7.033854 -4.183837 -2.693861 ESP Fit Center 1076 is at -5.951490 -4.183837 -2.693861 ESP Fit Center 1077 is at -5.520773 -2.518250 -3.315414 ESP Fit Center 1078 is at -6.006722 -1.676560 -3.315414 ESP Fit Center 1079 is at -6.978622 -1.676560 -3.315414 ESP Fit Center 1080 is at -7.464572 -2.518250 -3.315414 ESP Fit Center 1081 is at -6.978622 -3.359940 -3.315414 ESP Fit Center 1082 is at -6.006722 -3.359940 -3.315414 ESP Fit Center 1083 is at -6.492672 -2.518250 -3.537243 ESP Fit Center 1084 is at -0.222476 1.565813 -3.111309 ESP Fit Center 1085 is at 3.177079 2.463573 -2.654224 ESP Fit Center 1086 is at 3.756211 -1.391920 -2.748420 ESP Fit Center 1087 is at -0.144628 -1.328862 -3.375640 ESP Fit Center 1088 is at 3.074576 0.045608 -3.221034 ESP Fit Center 1089 is at 2.775987 1.062506 -3.221034 ESP Fit Center 1090 is at 1.975022 1.756546 -3.221034 ESP Fit Center 1091 is at 0.925981 1.907376 -3.221034 ESP Fit Center 1092 is at -0.038073 1.467107 -3.221034 ESP Fit Center 1093 is at -0.611060 0.575522 -3.221034 ESP Fit Center 1094 is at 1.975022 -1.665331 -3.221034 ESP Fit Center 1095 is at 2.775987 -0.971290 -3.221034 ESP Fit Center 1096 is at 2.182517 0.045608 -3.675561 ESP Fit Center 1097 is at 1.688090 0.901981 -3.675561 ESP Fit Center 1098 is at 0.699236 0.901981 -3.675561 ESP Fit Center 1099 is at 0.204808 0.045608 -3.675561 ESP Fit Center 1100 is at 0.699236 -0.810765 -3.675561 ESP Fit Center 1101 is at 1.688090 -0.810765 -3.675561 ESP Fit Center 1102 is at 1.193663 0.045608 -3.832180 ESP Fit Center 1103 is at -4.646107 -0.019670 -0.621898 ESP Fit Center 1104 is at -4.903338 -0.019670 -1.581898 ESP Fit Center 1105 is at -4.646107 -0.019670 -2.541898 ESP Fit Center 1106 is at -3.463338 0.811714 -3.244666 ESP Fit Center 1107 is at -3.943338 -0.019670 -3.244666 ESP Fit Center 1108 is at -2.983338 -0.019670 -3.501898 ESP Fit Center 1109 is at 0.757901 5.331894 1.280666 ESP Fit Center 1110 is at 1.237901 6.420510 -0.382102 ESP Fit Center 1111 is at 1.717901 5.331894 -2.044871 ESP Fit Center 1112 is at 0.757901 5.331894 -2.044871 ESP Fit Center 1113 is at 6.501660 0.005217 0.950120 ESP Fit Center 1114 is at 7.204429 0.005217 0.247352 ESP Fit Center 1115 is at 7.461660 0.005217 -0.712648 ESP Fit Center 1116 is at 7.204429 0.005217 -1.672648 ESP Fit Center 1117 is at 6.501660 0.005217 -2.375417 ESP Fit Center 1118 is at 6.021660 0.836601 -2.375417 ESP Fit Center 1119 is at 6.021660 -0.826168 -2.375417 ESP Fit Center 1120 is at 0.900501 -5.072459 0.536309 ESP Fit Center 1121 is at 0.866678 -5.822462 -0.166460 ESP Fit Center 1122 is at 1.380501 -6.161075 -1.126460 ESP Fit Center 1123 is at 1.894325 -5.822462 -2.086460 ESP Fit Center 1124 is at 1.860501 -5.072459 -2.789228 ESP Fit Center 1125 is at -1.885677 7.434356 -1.453438 ESP Fit Center 1126 is at -2.845677 7.177125 -1.453438 ESP Fit Center 1127 is at -3.548446 6.474356 -1.453438 ESP Fit Center 1128 is at -0.540469 6.491707 -2.413438 ESP Fit Center 1129 is at -1.371854 7.095743 -2.413438 ESP Fit Center 1130 is at -2.399501 7.095743 -2.413438 ESP Fit Center 1131 is at -3.230886 6.491707 -2.413438 ESP Fit Center 1132 is at -3.548446 5.514356 -2.413438 ESP Fit Center 1133 is at -0.925677 5.514356 -3.116206 ESP Fit Center 1134 is at -1.405677 6.345740 -3.116206 ESP Fit Center 1135 is at -2.365677 6.345740 -3.116206 ESP Fit Center 1136 is at -2.845677 5.514356 -3.116206 ESP Fit Center 1137 is at -2.365677 4.682972 -3.116206 ESP Fit Center 1138 is at -1.405677 4.682972 -3.116206 ESP Fit Center 1139 is at -1.885677 5.514356 -3.373438 ESP Fit Center 1140 is at 0.332623 5.595800 1.246118 ESP Fit Center 1141 is at -0.147377 6.427184 1.246118 ESP Fit Center 1142 is at 0.717832 6.573151 0.543349 ESP Fit Center 1143 is at -0.113553 7.177187 0.543349 ESP Fit Center 1144 is at 1.035392 6.555800 -0.416651 ESP Fit Center 1145 is at 0.332623 7.258569 -0.416651 ESP Fit Center 1146 is at -0.627377 7.515800 -0.416651 ESP Fit Center 1147 is at 0.717832 6.573151 -1.376651 ESP Fit Center 1148 is at -0.113553 7.177187 -1.376651 ESP Fit Center 1149 is at 0.332623 5.595800 -2.079419 ESP Fit Center 1150 is at -2.141268 5.368720 2.072717 ESP Fit Center 1151 is at -1.181268 5.368720 1.815486 ESP Fit Center 1152 is at -1.661268 6.200104 1.815486 ESP Fit Center 1153 is at -2.621268 6.200104 1.815486 ESP Fit Center 1154 is at -3.101268 5.368720 1.815486 ESP Fit Center 1155 is at -2.621268 4.537336 1.815486 ESP Fit Center 1156 is at -1.661268 4.537336 1.815486 ESP Fit Center 1157 is at -1.627444 6.950107 1.112717 ESP Fit Center 1158 is at -2.655091 6.950107 1.112717 ESP Fit Center 1159 is at -3.486476 6.346071 1.112717 ESP Fit Center 1160 is at -3.804036 5.368720 1.112717 ESP Fit Center 1161 is at -3.101268 7.031489 0.152717 ESP Fit Center 1162 is at -3.804036 6.328720 0.152717 ESP Fit Center 1163 is at -4.061268 5.368720 0.152717 ESP Fit Center 1164 is at -5.065360 0.442596 -1.743858 ESP Fit Center 1165 is at -5.450568 1.128014 -2.703858 ESP Fit Center 1166 is at -4.619184 0.523978 -2.703858 ESP Fit Center 1167 is at -3.145360 2.105365 -3.406627 ESP Fit Center 1168 is at -4.585360 2.936749 -3.406627 ESP Fit Center 1169 is at -5.065360 2.105365 -3.406627 ESP Fit Center 1170 is at -4.585360 1.273980 -3.406627 ESP Fit Center 1171 is at -3.625360 1.273980 -3.406627 ESP Fit Center 1172 is at -4.105360 2.105365 -3.663858 ESP Fit Center 1173 is at -4.417263 5.298551 -0.623607 ESP Fit Center 1174 is at -3.903440 5.637164 -1.583607 ESP Fit Center 1175 is at -4.863440 5.379933 -1.583607 ESP Fit Center 1176 is at -4.417263 5.298551 -2.543607 ESP Fit Center 1177 is at -5.248648 4.694515 -2.543607 ESP Fit Center 1178 is at -5.566208 3.717164 -2.543607 ESP Fit Center 1179 is at -2.943440 3.717164 -3.246376 ESP Fit Center 1180 is at -3.423440 4.548548 -3.246376 ESP Fit Center 1181 is at -4.383440 4.548548 -3.246376 ESP Fit Center 1182 is at -4.863440 3.717164 -3.246376 ESP Fit Center 1183 is at -3.903440 3.717164 -3.503607 ESP Fit Center 1184 is at -4.189742 3.485049 2.659435 ESP Fit Center 1185 is at -3.229742 3.485049 2.402204 ESP Fit Center 1186 is at -3.709742 4.316434 2.402204 ESP Fit Center 1187 is at -4.669742 4.316434 2.402204 ESP Fit Center 1188 is at -5.149742 3.485049 2.402204 ESP Fit Center 1189 is at -2.526973 3.485049 1.699435 ESP Fit Center 1190 is at -2.844534 4.462400 1.699435 ESP Fit Center 1191 is at -3.675918 5.066436 1.699435 ESP Fit Center 1192 is at -4.703566 5.066436 1.699435 ESP Fit Center 1193 is at -4.189742 5.405049 0.739435 ESP Fit Center 1194 is at -4.490004 1.894996 2.435797 ESP Fit Center 1195 is at -5.450004 1.894996 2.178566 ESP Fit Center 1196 is at -4.970004 1.063611 2.178566 ESP Fit Center 1197 is at -5.835212 0.917645 1.475797 ESP Fit Center 1198 is at -5.003828 0.313609 1.475797 ESP Fit Center 1199 is at -3.976180 0.313609 1.475797 ESP Fit Center 1200 is at -5.450004 0.232227 0.515797 ESP Fit Center 1201 is at -4.490004 -0.025004 0.515797 ESP Fit Center 1202 is at -5.003828 0.313609 -0.444203 ESP Fit Center 1203 is at 3.336271 7.472324 -0.911055 ESP Fit Center 1204 is at 2.376271 7.215093 -0.911055 ESP Fit Center 1205 is at 1.673502 6.512324 -0.911055 ESP Fit Center 1206 is at 4.681479 6.529675 -1.871055 ESP Fit Center 1207 is at 3.850094 7.133712 -1.871055 ESP Fit Center 1208 is at 2.822447 7.133712 -1.871055 ESP Fit Center 1209 is at 1.991062 6.529675 -1.871055 ESP Fit Center 1210 is at 4.296271 5.552324 -2.573823 ESP Fit Center 1211 is at 3.816271 6.383709 -2.573823 ESP Fit Center 1212 is at 2.856271 6.383709 -2.573823 ESP Fit Center 1213 is at 2.376271 5.552324 -2.573823 ESP Fit Center 1214 is at 2.856271 4.720940 -2.573823 ESP Fit Center 1215 is at 3.816271 4.720940 -2.573823 ESP Fit Center 1216 is at 3.336271 5.552324 -2.831055 ESP Fit Center 1217 is at 5.190928 6.235221 1.620080 ESP Fit Center 1218 is at 5.224751 6.985224 0.917311 ESP Fit Center 1219 is at 5.670928 7.066605 -0.042689 ESP Fit Center 1220 is at 4.710928 7.323836 -0.042689 ESP Fit Center 1221 is at 6.056136 6.381187 -1.002689 ESP Fit Center 1222 is at 5.224751 6.985224 -1.002689 ESP Fit Center 1223 is at 5.670928 5.403836 -1.705457 ESP Fit Center 1224 is at 5.190928 6.235221 -1.705457 ESP Fit Center 1225 is at 3.263055 5.406103 2.632741 ESP Fit Center 1226 is at 4.223055 5.406103 2.375510 ESP Fit Center 1227 is at 3.743055 6.237487 2.375510 ESP Fit Center 1228 is at 2.783055 6.237487 2.375510 ESP Fit Center 1229 is at 2.303055 5.406103 2.375510 ESP Fit Center 1230 is at 2.783055 4.574718 2.375510 ESP Fit Center 1231 is at 3.743055 4.574718 2.375510 ESP Fit Center 1232 is at 3.776879 6.987490 1.672741 ESP Fit Center 1233 is at 2.749231 6.987490 1.672741 ESP Fit Center 1234 is at 1.917847 6.383454 1.672741 ESP Fit Center 1235 is at 1.600286 5.406103 1.672741 ESP Fit Center 1236 is at 1.917847 4.428752 1.672741 ESP Fit Center 1237 is at 3.263055 7.326103 0.712741 ESP Fit Center 1238 is at 2.303055 7.068871 0.712741 ESP Fit Center 1239 is at 1.600286 6.366103 0.712741 ESP Fit Center 1240 is at 7.158590 1.077051 1.252933 ESP Fit Center 1241 is at 8.341358 1.908436 0.550164 ESP Fit Center 1242 is at 7.192413 0.327048 0.550164 ESP Fit Center 1243 is at 8.023798 0.931085 0.550164 ESP Fit Center 1244 is at 8.598590 1.908436 -0.409836 ESP Fit Center 1245 is at 7.638590 0.245667 -0.409836 ESP Fit Center 1246 is at 8.341358 0.948436 -0.409836 ESP Fit Center 1247 is at 8.341358 1.908436 -1.369836 ESP Fit Center 1248 is at 8.023798 0.931085 -1.369836 ESP Fit Center 1249 is at 7.638590 1.908436 -2.072604 ESP Fit Center 1250 is at 7.158590 1.077051 -2.072604 ESP Fit Center 1251 is at 6.976751 5.598032 1.861918 ESP Fit Center 1252 is at 6.016751 5.598032 1.861918 ESP Fit Center 1253 is at 5.536751 4.766648 1.861918 ESP Fit Center 1254 is at 7.010574 6.348035 1.159149 ESP Fit Center 1255 is at 5.982927 6.348035 1.159149 ESP Fit Center 1256 is at 7.456751 6.429417 0.199149 ESP Fit Center 1257 is at 6.496751 6.686648 0.199149 ESP Fit Center 1258 is at 7.010574 6.348035 -0.760851 ESP Fit Center 1259 is at 6.016751 5.598032 -1.463620 ESP Fit Center 1260 is at 8.886001 3.801720 1.701152 ESP Fit Center 1261 is at 8.406001 2.970336 1.701152 ESP Fit Center 1262 is at 9.588770 3.801720 0.998384 ESP Fit Center 1263 is at 9.271209 4.779071 0.998384 ESP Fit Center 1264 is at 8.439825 2.220333 0.998384 ESP Fit Center 1265 is at 9.271209 2.824369 0.998384 ESP Fit Center 1266 is at 9.846001 3.801720 0.038384 ESP Fit Center 1267 is at 9.588770 4.761720 0.038384 ESP Fit Center 1268 is at 8.886001 5.464489 0.038384 ESP Fit Center 1269 is at 8.886001 2.138951 0.038384 ESP Fit Center 1270 is at 9.588770 2.841720 0.038384 ESP Fit Center 1271 is at 9.588770 3.801720 -0.921616 ESP Fit Center 1272 is at 9.271209 4.779071 -0.921616 ESP Fit Center 1273 is at 9.271209 2.824369 -0.921616 ESP Fit Center 1274 is at 8.886001 3.801720 -1.624385 ESP Fit Center 1275 is at 8.650756 -2.062593 -0.594510 ESP Fit Center 1276 is at 8.393525 -1.102593 -0.594510 ESP Fit Center 1277 is at 7.690756 -0.399824 -0.594510 ESP Fit Center 1278 is at 8.393525 -2.062593 -1.554510 ESP Fit Center 1279 is at 8.075964 -1.085242 -1.554510 ESP Fit Center 1280 is at 7.244580 -0.481206 -1.554510 ESP Fit Center 1281 is at 8.075964 -3.039944 -1.554510 ESP Fit Center 1282 is at 7.690756 -2.062593 -2.257279 ESP Fit Center 1283 is at 7.210756 -1.231208 -2.257279 ESP Fit Center 1284 is at 6.250756 -1.231208 -2.257279 ESP Fit Center 1285 is at 6.250756 -2.893977 -2.257279 ESP Fit Center 1286 is at 7.210756 -2.893977 -2.257279 ESP Fit Center 1287 is at 6.730756 -2.062593 -2.514510 ESP Fit Center 1288 is at 5.964470 -4.314159 1.819443 ESP Fit Center 1289 is at 6.924470 -4.314159 1.819443 ESP Fit Center 1290 is at 5.930646 -5.064161 1.116674 ESP Fit Center 1291 is at 6.958293 -5.064161 1.116674 ESP Fit Center 1292 is at 7.789678 -4.460125 1.116674 ESP Fit Center 1293 is at 6.444470 -5.402774 0.156674 ESP Fit Center 1294 is at 7.404470 -5.145543 0.156674 ESP Fit Center 1295 is at 8.107238 -4.442774 0.156674 ESP Fit Center 1296 is at 6.958293 -5.064161 -0.803326 ESP Fit Center 1297 is at 7.789678 -4.460125 -0.803326 ESP Fit Center 1298 is at 5.964470 -4.314159 -1.506095 ESP Fit Center 1299 is at 6.924470 -4.314159 -1.506095 ESP Fit Center 1300 is at 6.395193 -2.088089 2.922767 ESP Fit Center 1301 is at 7.355193 -2.088089 2.665536 ESP Fit Center 1302 is at 6.875193 -1.256705 2.665536 ESP Fit Center 1303 is at 5.915193 -1.256705 2.665536 ESP Fit Center 1304 is at 5.435193 -2.088089 2.665536 ESP Fit Center 1305 is at 5.915193 -2.919473 2.665536 ESP Fit Center 1306 is at 6.875193 -2.919473 2.665536 ESP Fit Center 1307 is at 8.057962 -2.088089 1.962767 ESP Fit Center 1308 is at 7.740401 -1.110738 1.962767 ESP Fit Center 1309 is at 6.909017 -0.506702 1.962767 ESP Fit Center 1310 is at 5.881369 -0.506702 1.962767 ESP Fit Center 1311 is at 5.049985 -1.110738 1.962767 ESP Fit Center 1312 is at 7.740401 -3.065440 1.962767 ESP Fit Center 1313 is at 8.057962 -1.128089 1.002767 ESP Fit Center 1314 is at 7.355193 -0.425320 1.002767 ESP Fit Center 1315 is at 6.159819 -5.250369 -1.215450 ESP Fit Center 1316 is at 5.199819 -6.913138 -1.215450 ESP Fit Center 1317 is at 5.902588 -6.210369 -1.215450 ESP Fit Center 1318 is at 5.902588 -5.250369 -2.175450 ESP Fit Center 1319 is at 5.585027 -4.273018 -2.175450 ESP Fit Center 1320 is at 2.894611 -6.227720 -2.175450 ESP Fit Center 1321 is at 3.725995 -6.831756 -2.175450 ESP Fit Center 1322 is at 4.753643 -6.831756 -2.175450 ESP Fit Center 1323 is at 5.585027 -6.227720 -2.175450 ESP Fit Center 1324 is at 5.199819 -5.250369 -2.878219 ESP Fit Center 1325 is at 4.719819 -4.418985 -2.878219 ESP Fit Center 1326 is at 3.759819 -4.418985 -2.878219 ESP Fit Center 1327 is at 3.279819 -5.250369 -2.878219 ESP Fit Center 1328 is at 3.759819 -6.081754 -2.878219 ESP Fit Center 1329 is at 4.719819 -6.081754 -2.878219 ESP Fit Center 1330 is at 4.239819 -5.250369 -3.135450 ESP Fit Center 1331 is at 3.205272 -5.350859 3.385852 ESP Fit Center 1332 is at 4.165272 -5.350859 3.128620 ESP Fit Center 1333 is at 3.685272 -4.519475 3.128620 ESP Fit Center 1334 is at 2.725272 -4.519475 3.128620 ESP Fit Center 1335 is at 2.245272 -5.350859 3.128620 ESP Fit Center 1336 is at 2.725272 -6.182244 3.128620 ESP Fit Center 1337 is at 3.685272 -6.182244 3.128620 ESP Fit Center 1338 is at 4.550480 -4.373508 2.425852 ESP Fit Center 1339 is at 3.719095 -3.769472 2.425852 ESP Fit Center 1340 is at 2.691448 -3.769472 2.425852 ESP Fit Center 1341 is at 1.860063 -4.373508 2.425852 ESP Fit Center 1342 is at 1.542503 -5.350859 2.425852 ESP Fit Center 1343 is at 1.860063 -6.328210 2.425852 ESP Fit Center 1344 is at 1.542503 -4.390859 1.465852 ESP Fit Center 1345 is at 1.285272 -5.350859 1.465852 ESP Fit Center 1346 is at 4.193804 -7.491169 2.113928 ESP Fit Center 1347 is at 2.368596 -7.637136 1.411159 ESP Fit Center 1348 is at 3.199980 -8.241172 1.411159 ESP Fit Center 1349 is at 4.227628 -8.241172 1.411159 ESP Fit Center 1350 is at 5.059012 -7.637136 1.411159 ESP Fit Center 1351 is at 2.051035 -7.619785 0.451159 ESP Fit Center 1352 is at 2.753804 -8.322554 0.451159 ESP Fit Center 1353 is at 3.713804 -8.579785 0.451159 ESP Fit Center 1354 is at 4.673804 -8.322554 0.451159 ESP Fit Center 1355 is at 5.376572 -7.619785 0.451159 ESP Fit Center 1356 is at 2.368596 -7.637136 -0.508841 ESP Fit Center 1357 is at 3.199980 -8.241172 -0.508841 ESP Fit Center 1358 is at 4.227628 -8.241172 -0.508841 ESP Fit Center 1359 is at 5.059012 -7.637136 -0.508841 ESP Fit Center 1360 is at 3.233804 -7.491169 -1.211610 ESP Fit Center 1361 is at 4.193804 -7.491169 -1.211610 ESP Fit Center 1362 is at -1.925295 -5.220356 0.914020 ESP Fit Center 1363 is at -2.885295 -5.220356 0.656788 ESP Fit Center 1364 is at -2.405295 -6.051740 0.656788 ESP Fit Center 1365 is at -1.445295 -6.051740 0.656788 ESP Fit Center 1366 is at -3.270503 -6.197707 -0.045980 ESP Fit Center 1367 is at -2.439119 -6.801743 -0.045980 ESP Fit Center 1368 is at -1.411471 -6.801743 -0.045980 ESP Fit Center 1369 is at -3.845295 -5.220356 -1.005980 ESP Fit Center 1370 is at -3.588064 -6.180356 -1.005980 ESP Fit Center 1371 is at -2.885295 -6.883124 -1.005980 ESP Fit Center 1372 is at -1.925295 -7.140356 -1.005980 ESP Fit Center 1373 is at -3.270503 -6.197707 -1.965980 ESP Fit Center 1374 is at 0.093086 -6.115833 0.114694 ESP Fit Center 1375 is at 0.126910 -6.865835 -0.588075 ESP Fit Center 1376 is at 0.958294 -6.261799 -0.588075 ESP Fit Center 1377 is at -0.386914 -7.204448 -1.548075 ESP Fit Center 1378 is at 0.573086 -6.947217 -1.548075 ESP Fit Center 1379 is at 1.275855 -6.244448 -1.548075 ESP Fit Center 1380 is at 0.126910 -6.865835 -2.508075 ESP Fit Center 1381 is at 0.958294 -6.261799 -2.508075 ESP Fit Center 1382 is at 0.573086 -5.284448 -3.210844 ESP Fit Center 1383 is at 0.093086 -6.115833 -3.210844 ESP Fit Center 1384 is at -3.268561 -5.927919 -2.587158 ESP Fit Center 1385 is at -2.565793 -6.630688 -2.587158 ESP Fit Center 1386 is at -3.268561 -4.967919 -3.547158 ESP Fit Center 1387 is at -2.951001 -5.945270 -3.547158 ESP Fit Center 1388 is at -2.119616 -6.549306 -3.547158 ESP Fit Center 1389 is at -1.091969 -6.549306 -3.547158 ESP Fit Center 1390 is at -0.260584 -5.945270 -3.547158 ESP Fit Center 1391 is at -0.645793 -4.967919 -4.249927 ESP Fit Center 1392 is at -1.125793 -4.136535 -4.249927 ESP Fit Center 1393 is at -2.085793 -4.136535 -4.249927 ESP Fit Center 1394 is at -2.565793 -4.967919 -4.249927 ESP Fit Center 1395 is at -2.085793 -5.799303 -4.249927 ESP Fit Center 1396 is at -1.125793 -5.799303 -4.249927 ESP Fit Center 1397 is at -1.605793 -4.967919 -4.507158 ESP Fit Center 1398 is at -5.465207 -4.339326 -2.178405 ESP Fit Center 1399 is at -4.762439 -5.042095 -2.178405 ESP Fit Center 1400 is at -3.802439 -5.299326 -2.178405 ESP Fit Center 1401 is at -5.465207 -3.379326 -3.138405 ESP Fit Center 1402 is at -5.147647 -4.356677 -3.138405 ESP Fit Center 1403 is at -4.316262 -4.960713 -3.138405 ESP Fit Center 1404 is at -2.842439 -3.379326 -3.841173 ESP Fit Center 1405 is at -4.762439 -3.379326 -3.841173 ESP Fit Center 1406 is at -4.282439 -4.210711 -3.841173 ESP Fit Center 1407 is at -3.322439 -4.210711 -3.841173 ESP Fit Center 1408 is at -3.802439 -3.379326 -4.098405 ESP Fit Center 1409 is at -4.958797 -0.100285 -2.059506 ESP Fit Center 1410 is at -4.512621 -0.181667 -3.019506 ESP Fit Center 1411 is at -5.344005 -0.785703 -3.019506 ESP Fit Center 1412 is at -3.518797 -0.931670 -3.722275 ESP Fit Center 1413 is at -4.478797 -0.931670 -3.722275 ESP Fit Center 1414 is at -4.958797 -1.763054 -3.722275 ESP Fit Center 1415 is at -3.998797 -1.763054 -3.979506 ESP Fit Center 1416 is at -4.138603 -1.996757 2.243623 ESP Fit Center 1417 is at -3.178603 -1.996757 1.986392 ESP Fit Center 1418 is at -3.658603 -1.165373 1.986392 ESP Fit Center 1419 is at -4.618603 -1.165373 1.986392 ESP Fit Center 1420 is at -3.624780 -0.415370 1.283623 ESP Fit Center 1421 is at -4.652427 -0.415370 1.283623 ESP Fit Center 1422 is at -5.483812 -1.019406 1.283623 ESP Fit Center 1423 is at -4.138603 -0.076757 0.323623 ESP Fit Center 1424 is at -5.098603 -0.333989 0.323623 ESP Fit Center 1425 is at -4.056645 -3.616716 2.060756 ESP Fit Center 1426 is at -3.096645 -3.616716 1.803525 ESP Fit Center 1427 is at -4.536645 -4.448100 1.803525 ESP Fit Center 1428 is at -3.576645 -4.448100 1.803525 ESP Fit Center 1429 is at -2.393877 -3.616716 1.100756 ESP Fit Center 1430 is at -4.570469 -5.198103 1.100756 ESP Fit Center 1431 is at -3.542822 -5.198103 1.100756 ESP Fit Center 1432 is at -2.711437 -4.594067 1.100756 ESP Fit Center 1433 is at -5.016645 -5.279484 0.140756 ESP Fit Center 1434 is at -4.056645 -5.536716 0.140756 ESP Fit Center 1435 is at -4.570469 -5.198103 -0.819244 ESP Fit Center 1436 is at -1.781672 1.718357 5.550030 ESP Fit Center 1437 is at -0.723808 1.831003 4.884080 ESP Fit Center 1438 is at -1.522849 2.523376 4.884080 ESP Fit Center 1439 is at -2.569371 2.673843 4.884080 ESP Fit Center 1440 is at -3.531110 2.234632 4.884080 ESP Fit Center 1441 is at -0.843474 2.645897 3.921755 ESP Fit Center 1442 is at -4.410443 1.831759 3.921755 ESP Fit Center 1443 is at -4.642159 0.816547 3.921755 ESP Fit Center 1444 is at -4.410443 -0.198666 3.921755 ESP Fit Center 1445 is at -3.761190 -1.012804 3.921755 ESP Fit Center 1446 is at -4.642159 0.816547 2.853655 ESP Fit Center 1447 is at -4.410443 -0.198666 2.853655 ESP Fit Center 1448 is at -3.761190 -1.012804 2.853655 ESP Fit Center 1449 is at -4.102720 0.287905 1.891329 ESP Fit Center 1450 is at -2.631537 0.502995 6.209194 ESP Fit Center 1451 is at -1.671537 0.502995 5.951963 ESP Fit Center 1452 is at -2.151537 1.334379 5.951963 ESP Fit Center 1453 is at -3.111537 1.334379 5.951963 ESP Fit Center 1454 is at -3.591537 0.502995 5.951963 ESP Fit Center 1455 is at -3.111537 -0.328389 5.951963 ESP Fit Center 1456 is at -2.151537 -0.328389 5.951963 ESP Fit Center 1457 is at -3.145361 2.084382 5.249194 ESP Fit Center 1458 is at -3.976745 1.480346 5.249194 ESP Fit Center 1459 is at -4.294306 0.502995 5.249194 ESP Fit Center 1460 is at -3.976745 -0.474356 5.249194 ESP Fit Center 1461 is at -3.145361 -1.078392 5.249194 ESP Fit Center 1462 is at -4.551537 0.502995 4.289194 ESP Fit Center 1463 is at -4.294306 -0.457005 4.289194 ESP Fit Center 1464 is at -3.591537 -1.159774 4.289194 ESP Fit Center 1465 is at -3.640813 -0.321121 1.718128 ESP Fit Center 1466 is at 0.486909 3.085817 2.977908 ESP Fit Center 1467 is at -0.554412 3.085817 2.977908 ESP Fit Center 1468 is at 0.318631 3.201857 2.699274 ESP Fit Center 1469 is at -0.709017 3.201857 2.699274 ESP Fit Center 1470 is at -0.195193 3.540470 1.739274 ESP Fit Center 1471 is at -1.155193 3.283239 1.739274 ESP Fit Center 1472 is at 0.371258 1.203738 5.294452 ESP Fit Center 1473 is at 1.331258 1.203738 5.037221 ESP Fit Center 1474 is at 0.851258 2.035122 5.037221 ESP Fit Center 1475 is at -0.108742 2.035122 5.037221 ESP Fit Center 1476 is at -0.588742 1.203738 5.037221 ESP Fit Center 1477 is at 2.034026 1.203738 4.334452 ESP Fit Center 1478 is at 1.716466 2.181089 4.334452 ESP Fit Center 1479 is at 0.885081 2.785125 4.334452 ESP Fit Center 1480 is at -0.142566 2.785125 4.334452 ESP Fit Center 1481 is at 2.034026 2.163738 3.374452 ESP Fit Center 1482 is at 1.331258 2.866506 3.374452 ESP Fit Center 1483 is at 0.371258 3.123738 3.374452 ESP Fit Center 1484 is at 2.345045 -0.226184 4.315513 ESP Fit Center 1485 is at 1.809288 -1.154142 4.315513 ESP Fit Center 1486 is at 3.253430 -0.226184 3.708549 ESP Fit Center 1487 is at 2.988174 0.763765 3.708549 ESP Fit Center 1488 is at 2.263480 1.488459 3.708549 ESP Fit Center 1489 is at 1.273531 -2.206083 3.708549 ESP Fit Center 1490 is at 2.263480 -1.940827 3.708549 ESP Fit Center 1491 is at 2.988174 -1.216134 3.708549 ESP Fit Center 1492 is at 3.860394 -0.226184 2.800164 ESP Fit Center 1493 is at 3.636748 0.825988 2.800164 ESP Fit Center 1494 is at 3.004480 1.696229 2.800164 ESP Fit Center 1495 is at 2.072915 2.234068 2.800164 ESP Fit Center 1496 is at 1.003130 -2.798876 2.800164 ESP Fit Center 1497 is at 2.072915 -2.686437 2.800164 ESP Fit Center 1498 is at 3.004480 -2.148598 2.800164 ESP Fit Center 1499 is at 3.636748 -1.278356 2.800164 ESP Fit Center 1500 is at 0.507275 -2.919296 1.728650 ESP Fit Center 1501 is at 1.531882 -3.014240 1.728650 ESP Fit Center 1502 is at -2.788147 -1.769331 5.042024 ESP Fit Center 1503 is at -0.510949 -1.096032 6.858326 ESP Fit Center 1504 is at 0.460951 -1.096032 6.636496 ESP Fit Center 1505 is at -0.024999 -0.254342 6.636496 ESP Fit Center 1506 is at -0.996899 -0.254342 6.636496 ESP Fit Center 1507 is at -1.482849 -1.096032 6.636496 ESP Fit Center 1508 is at -0.996899 -1.937721 6.636496 ESP Fit Center 1509 is at -0.024999 -1.937721 6.636496 ESP Fit Center 1510 is at 1.240354 -1.096032 6.014943 ESP Fit Center 1511 is at 0.905885 -0.066642 6.014943 ESP Fit Center 1512 is at 0.030233 0.569556 6.014943 ESP Fit Center 1513 is at -1.052131 0.569556 6.014943 ESP Fit Center 1514 is at -1.927782 -0.066642 6.014943 ESP Fit Center 1515 is at -2.262251 -1.096032 6.014943 ESP Fit Center 1516 is at -1.927782 -2.125421 6.014943 ESP Fit Center 1517 is at -1.052131 -2.761619 6.014943 ESP Fit Center 1518 is at 0.030233 -2.761619 6.014943 ESP Fit Center 1519 is at 0.905885 -2.125421 6.014943 ESP Fit Center 1520 is at 1.672890 -1.096032 5.116773 ESP Fit Center 1521 is at 1.422744 -0.081151 5.116773 ESP Fit Center 1522 is at -0.247716 -3.263948 5.116773 ESP Fit Center 1523 is at 0.729613 -2.893296 5.116773 ESP Fit Center 1524 is at 1.422744 -2.110912 5.116773 ESP Fit Center 1525 is at 1.422744 -2.110912 4.119879 ESP Fit Center 1526 is at -1.662375 -3.217306 5.130466 ESP Fit Center 1527 is at -2.927728 -2.375616 4.508913 ESP Fit Center 1528 is at -2.593259 -3.405006 4.508913 ESP Fit Center 1529 is at -1.717608 -4.041204 4.508913 ESP Fit Center 1530 is at -0.635243 -4.041204 4.508913 ESP Fit Center 1531 is at 0.240408 -3.405006 4.508913 ESP Fit Center 1532 is at -3.296806 -2.898243 3.610742 ESP Fit Center 1533 is at -2.811052 -3.823769 3.610742 ESP Fit Center 1534 is at -1.950825 -4.417541 3.610742 ESP Fit Center 1535 is at -0.913193 -4.543532 3.610742 ESP Fit Center 1536 is at 0.064136 -4.172880 3.610742 ESP Fit Center 1537 is at 0.757268 -3.390497 3.610742 ESP Fit Center 1538 is at -3.296806 -1.852990 2.613849 ESP Fit Center 1539 is at -3.296806 -2.898243 2.613849 ESP Fit Center 1540 is at -2.811052 -3.823769 2.613849 ESP Fit Center 1541 is at -1.950825 -4.417541 2.613849 ESP Fit Center 1542 is at -0.913193 -4.543532 2.613849 ESP Fit Center 1543 is at 0.064136 -4.172880 2.613849 ESP Fit Center 1544 is at 0.757268 -3.390497 2.613849 ESP Fit Center 1545 is at -2.593259 -3.405006 1.715678 ESP Fit Center 1546 is at -1.717608 -4.041204 1.715678 ESP Fit Center 1547 is at -0.635243 -4.041204 1.715678 ESP Fit Center 1548 is at 0.240408 -3.405006 1.715678 ESP Fit Center 1549 is at -2.148325 -2.375616 1.094125 ESP Fit Center 1550 is at -1.662375 -3.217306 1.094125 ESP Fit Center 1551 is at -0.690476 -3.217306 1.094125 ESP Fit Center 1552 is at -2.115184 3.248242 3.936011 ESP Fit Center 1553 is at -3.142832 3.248242 3.936011 ESP Fit Center 1554 is at -3.974216 2.644206 3.936011 ESP Fit Center 1555 is at -1.669008 3.329624 2.976011 ESP Fit Center 1556 is at -2.629008 3.586855 2.976011 ESP Fit Center 1557 is at -3.589008 3.329624 2.976011 ESP Fit Center 1558 is at -4.291777 2.626855 2.976011 ESP Fit Center 1559 is at -4.549008 1.666855 2.976011 ESP Fit Center 1560 is at -2.115184 3.248242 2.016011 ESP Fit Center 1561 is at -1.017363 0.081343 -3.728935 ESP Fit Center 1562 is at -1.533986 0.976160 -3.728935 ESP Fit Center 1563 is at -2.567231 0.976160 -3.728935 ESP Fit Center 1564 is at -2.567231 -0.813474 -3.728935 ESP Fit Center 1565 is at -2.050609 0.081343 -3.934460 ESP Fit Center 1566 is at 1.168117 3.505230 2.255304 ESP Fit Center 1567 is at 1.684739 4.400046 2.049778 ESP Fit Center 1568 is at 0.651494 4.400046 2.049778 ESP Fit Center 1569 is at 0.896411 5.394985 -2.353885 ESP Fit Center 1570 is at 1.684739 4.400046 -2.939171 ESP Fit Center 1571 is at 0.651494 4.400046 -2.939171 ESP Fit Center 1572 is at 1.168117 3.505230 -3.144696 ESP Fit Center 1573 is at 4.565080 0.087331 2.185268 ESP Fit Center 1574 is at 5.598325 0.087331 1.979742 ESP Fit Center 1575 is at 5.081703 0.982148 1.979742 ESP Fit Center 1576 is at 6.474268 0.087331 1.394456 ESP Fit Center 1577 is at 5.598325 0.087331 -3.009207 ESP Fit Center 1578 is at 5.081703 0.982148 -3.009207 ESP Fit Center 1579 is at 4.048457 -0.807485 -3.009207 ESP Fit Center 1580 is at 5.081703 -0.807485 -3.009207 ESP Fit Center 1581 is at 4.565080 0.087331 -3.214732 ESP Fit Center 1582 is at 0.782700 -4.148236 1.504821 ESP Fit Center 1583 is at 0.049071 -4.696288 0.919534 ESP Fit Center 1584 is at 2.905435 -4.285604 -2.898842 ESP Fit Center 1585 is at 2.332568 -3.253419 -3.484129 ESP Fit Center 1586 is at 1.815946 -2.358603 -3.484129 ESP Fit Center 1587 is at 0.782700 -4.148236 -3.484129 ESP Fit Center 1588 is at 1.815946 -4.148236 -3.484129 ESP Fit Center 1589 is at 1.299323 -3.253419 -3.689654 ESP Fit Center 1590 is at -1.036720 2.240457 -3.427703 ESP Fit Center 1591 is at -1.553343 1.345640 -3.633229 ESP Fit Center 1592 is at -1.226543 2.621860 -3.438859 ESP Fit Center 1593 is at -1.743166 3.516676 -3.438859 ESP Fit Center 1594 is at -2.776411 1.727043 -3.438859 ESP Fit Center 1595 is at -2.259789 2.621860 -3.644384 ESP Fit Center 1596 is at -1.317648 3.597424 1.993308 ESP Fit Center 1597 is at -0.284403 3.597424 -3.201167 ESP Fit Center 1598 is at -0.801026 4.492241 -3.201167 ESP Fit Center 1599 is at -1.317648 3.597424 -3.406692 ESP Fit Center 1600 is at -0.588402 3.800928 1.909677 ESP Fit Center 1601 is at 0.961466 2.906111 -3.079273 ESP Fit Center 1602 is at 0.444843 3.800928 -3.079273 ESP Fit Center 1603 is at -0.071779 2.906111 -3.284798 ESP Fit Center 1604 is at -0.477230 5.162230 1.898391 ESP Fit Center 1605 is at -0.993852 6.057046 1.898391 ESP Fit Center 1606 is at -0.993852 4.267413 1.898391 ESP Fit Center 1607 is at -0.717369 6.898889 1.313104 ESP Fit Center 1608 is at -0.955402 7.594163 0.437161 ESP Fit Center 1609 is at -2.065548 7.594163 0.437161 ESP Fit Center 1610 is at -1.510475 7.862230 -0.596084 ESP Fit Center 1611 is at -2.543720 7.656704 -0.596084 ESP Fit Center 1612 is at -3.419663 7.071418 -0.596084 ESP Fit Center 1613 is at -4.004950 6.195475 -0.596084 ESP Fit Center 1614 is at -0.955402 7.594163 -1.629329 ESP Fit Center 1615 is at 0.398713 5.162230 -2.505272 ESP Fit Center 1616 is at 0.095637 6.194415 -2.505272 ESP Fit Center 1617 is at -0.477230 5.162230 -3.090559 ESP Fit Center 1618 is at -5.579151 3.366308 -3.062469 ESP Fit Center 1619 is at -2.714053 2.828427 -3.647755 ESP Fit Center 1620 is at -3.230676 3.723244 -3.647755 ESP Fit Center 1621 is at -3.747299 2.828427 -3.853280 ESP Fit Center 1622 is at -4.548164 2.803417 2.800906 ESP Fit Center 1623 is at -5.581409 2.803417 2.595380 ESP Fit Center 1624 is at -6.541199 2.184613 2.373829 ESP Fit Center 1625 is at -7.274829 1.636562 1.788543 ESP Fit Center 1626 is at -6.296283 1.189674 1.788543 ESP Fit Center 1627 is at -6.579650 0.647497 0.912599 ESP Fit Center 1628 is at -6.296283 4.969186 -2.029834 ESP Fit Center 1629 is at -6.548512 3.998759 3.039850 ESP Fit Center 1630 is at -5.455125 3.998759 2.790292 ESP Fit Center 1631 is at -6.001818 4.945660 2.790292 ESP Fit Center 1632 is at -7.095205 4.945660 2.790292 ESP Fit Center 1633 is at -7.641899 3.998759 2.790292 ESP Fit Center 1634 is at -7.095205 3.051858 2.790292 ESP Fit Center 1635 is at -6.001818 3.051858 2.790292 ESP Fit Center 1636 is at -4.891061 5.063938 2.091045 ESP Fit Center 1637 is at -5.730055 5.790930 2.091045 ESP Fit Center 1638 is at -6.828902 5.948921 2.091045 ESP Fit Center 1639 is at -7.838728 5.487749 2.091045 ESP Fit Center 1640 is at -8.438919 4.553833 2.091045 ESP Fit Center 1641 is at -8.438919 3.443685 2.091045 ESP Fit Center 1642 is at -7.838728 2.509770 2.091045 ESP Fit Center 1643 is at -5.016710 5.919577 1.080603 ESP Fit Center 1644 is at -6.001818 6.393980 1.080603 ESP Fit Center 1645 is at -7.095205 6.393980 1.080603 ESP Fit Center 1646 is at -8.080313 5.919577 1.080603 ESP Fit Center 1647 is at -8.762028 5.064733 1.080603 ESP Fit Center 1648 is at -9.005330 3.998759 1.080603 ESP Fit Center 1649 is at -8.762028 2.932786 1.080603 ESP Fit Center 1650 is at -5.016710 5.919577 -0.040903 ESP Fit Center 1651 is at -6.001818 6.393980 -0.040903 ESP Fit Center 1652 is at -7.095205 6.393980 -0.040903 ESP Fit Center 1653 is at -8.080313 5.919577 -0.040903 ESP Fit Center 1654 is at -8.762028 5.064733 -0.040903 ESP Fit Center 1655 is at -9.005330 3.998759 -0.040903 ESP Fit Center 1656 is at -5.730055 5.790930 -1.051344 ESP Fit Center 1657 is at -6.828902 5.948921 -1.051344 ESP Fit Center 1658 is at -7.838728 5.487749 -1.051344 ESP Fit Center 1659 is at -8.438919 4.553833 -1.051344 ESP Fit Center 1660 is at -8.552412 1.893694 0.652118 ESP Fit Center 1661 is at -7.952221 0.959779 0.652118 ESP Fit Center 1662 is at -6.942395 0.498607 0.652118 ESP Fit Center 1663 is at -8.875521 3.514742 -0.358324 ESP Fit Center 1664 is at -9.118822 2.448768 -0.358324 ESP Fit Center 1665 is at -8.875521 1.382795 -0.358324 ESP Fit Center 1666 is at -8.193805 0.527950 -0.358324 ESP Fit Center 1667 is at -7.208697 0.053547 -0.358324 ESP Fit Center 1668 is at -6.115310 0.053547 -0.358324 ESP Fit Center 1669 is at -8.193805 4.369586 -1.479829 ESP Fit Center 1670 is at -8.875521 3.514742 -1.479829 ESP Fit Center 1671 is at -9.118822 2.448768 -1.479829 ESP Fit Center 1672 is at -8.875521 1.382795 -1.479829 ESP Fit Center 1673 is at -8.193805 0.527950 -1.479829 ESP Fit Center 1674 is at -7.208697 0.053547 -1.479829 ESP Fit Center 1675 is at -6.115310 0.053547 -1.479829 ESP Fit Center 1676 is at -6.942395 4.398930 -2.490271 ESP Fit Center 1677 is at -7.952221 3.937758 -2.490271 ESP Fit Center 1678 is at -8.552412 3.003842 -2.490271 ESP Fit Center 1679 is at -8.552412 1.893694 -2.490271 ESP Fit Center 1680 is at -7.952221 0.959779 -2.490271 ESP Fit Center 1681 is at -6.942395 0.498607 -2.490271 ESP Fit Center 1682 is at -5.843547 0.656597 -2.490271 ESP Fit Center 1683 is at -6.115310 3.395669 -3.189518 ESP Fit Center 1684 is at -7.208697 3.395669 -3.189518 ESP Fit Center 1685 is at -7.755391 2.448768 -3.189518 ESP Fit Center 1686 is at -7.208697 1.501867 -3.189518 ESP Fit Center 1687 is at -6.115310 1.501867 -3.189518 ESP Fit Center 1688 is at -6.662004 2.448768 -3.439076 ESP Fit Center 1689 is at 2.445067 2.890846 2.329733 ESP Fit Center 1690 is at 3.478312 2.890846 -2.864742 ESP Fit Center 1691 is at 2.961690 3.785662 -2.864742 ESP Fit Center 1692 is at 2.445067 2.890846 -3.070267 ESP Fit Center 1693 is at 3.677153 3.592590 2.448201 ESP Fit Center 1694 is at 4.710399 3.592590 2.242676 ESP Fit Center 1695 is at 2.643908 3.592590 2.242676 ESP Fit Center 1696 is at 3.160531 2.697773 2.242676 ESP Fit Center 1697 is at 4.193776 4.487407 -2.746274 ESP Fit Center 1698 is at 3.677153 3.592590 -2.951799 ESP Fit Center 1699 is at 4.670224 2.606706 2.374047 ESP Fit Center 1700 is at 5.186846 3.501523 2.168522 ESP Fit Center 1701 is at 5.186846 1.711889 2.168522 ESP Fit Center 1702 is at 5.186846 3.501523 -2.820428 ESP Fit Center 1703 is at 4.670224 2.606706 -3.025953 ESP Fit Center 1704 is at 3.963720 1.355451 2.238645 ESP Fit Center 1705 is at 4.996965 1.355451 -2.955830 ESP Fit Center 1706 is at 3.963720 1.355451 -3.161355 ESP Fit Center 1707 is at 4.786693 5.122115 2.383588 ESP Fit Center 1708 is at 4.270070 4.227298 2.383588 ESP Fit Center 1709 is at 4.546553 6.858774 1.798302 ESP Fit Center 1710 is at 4.308520 7.554048 0.922359 ESP Fit Center 1711 is at 4.786693 7.616590 -0.110886 ESP Fit Center 1712 is at 3.753448 7.822115 -0.110886 ESP Fit Center 1713 is at 2.720202 7.616590 -0.110886 ESP Fit Center 1714 is at 1.844259 7.031303 -0.110886 ESP Fit Center 1715 is at 4.308520 7.554048 -1.144132 ESP Fit Center 1716 is at 5.662636 5.122115 -2.020075 ESP Fit Center 1717 is at 5.359559 6.154300 -2.020075 ESP Fit Center 1718 is at 4.786693 5.122115 -2.605361 ESP Fit Center 1719 is at 6.108280 2.714720 2.444702 ESP Fit Center 1720 is at 5.591657 1.819904 2.239177 ESP Fit Center 1721 is at 6.624903 1.819904 2.239177 ESP Fit Center 1722 is at 6.901386 0.978062 1.653890 ESP Fit Center 1723 is at 7.714392 1.682535 1.653890 ESP Fit Center 1724 is at 8.017468 2.714720 -2.164486 ESP Fit Center 1725 is at 7.141525 2.714720 -2.749773 ESP Fit Center 1726 is at 6.624903 3.609537 -2.749773 ESP Fit Center 1727 is at 5.591657 3.609537 -2.749773 ESP Fit Center 1728 is at 5.591657 1.819904 -2.749773 ESP Fit Center 1729 is at 6.624903 1.819904 -2.749773 ESP Fit Center 1730 is at 6.108280 2.714720 -2.955298 ESP Fit Center 1731 is at 6.929093 3.882822 2.723199 ESP Fit Center 1732 is at 7.962338 3.882822 2.517674 ESP Fit Center 1733 is at 7.445715 4.777639 2.517674 ESP Fit Center 1734 is at 6.412470 4.777639 2.517674 ESP Fit Center 1735 is at 5.895847 3.882822 2.517674 ESP Fit Center 1736 is at 6.412470 2.988006 2.517674 ESP Fit Center 1737 is at 7.445715 2.988006 2.517674 ESP Fit Center 1738 is at 8.535204 4.915007 1.932387 ESP Fit Center 1739 is at 7.722198 5.619481 1.932387 ESP Fit Center 1740 is at 7.722198 2.146164 1.932387 ESP Fit Center 1741 is at 8.535204 2.850637 1.932387 ESP Fit Center 1742 is at 8.484372 5.833081 1.056444 ESP Fit Center 1743 is at 8.484372 1.932563 1.056444 ESP Fit Center 1744 is at 8.838281 5.792011 0.023199 ESP Fit Center 1745 is at 7.962338 6.377297 0.023199 ESP Fit Center 1746 is at 8.484372 5.833081 -1.010046 ESP Fit Center 1747 is at 7.484166 6.314755 -1.010046 ESP Fit Center 1748 is at 8.535204 4.915007 -1.885989 ESP Fit Center 1749 is at 7.722198 5.619481 -1.885989 ESP Fit Center 1750 is at 6.657387 5.772578 -1.885989 ESP Fit Center 1751 is at 8.535204 2.850637 -1.885989 ESP Fit Center 1752 is at 7.962338 3.882822 -2.471276 ESP Fit Center 1753 is at 7.445715 4.777639 -2.471276 ESP Fit Center 1754 is at 6.412470 4.777639 -2.471276 ESP Fit Center 1755 is at 6.929093 3.882822 -2.676801 ESP Fit Center 1756 is at 4.501244 -0.284950 2.171044 ESP Fit Center 1757 is at 3.984621 -1.179766 -3.023431 ESP Fit Center 1758 is at 4.700176 -2.378096 2.507922 ESP Fit Center 1759 is at 3.666931 -2.378096 2.302397 ESP Fit Center 1760 is at 4.183553 -3.272913 2.302397 ESP Fit Center 1761 is at 5.733421 -2.378096 -2.686553 ESP Fit Center 1762 is at 5.216799 -3.272913 -2.686553 ESP Fit Center 1763 is at 4.700176 -2.378096 -2.892078 ESP Fit Center 1764 is at 3.761077 -3.406289 2.302231 ESP Fit Center 1765 is at 4.794322 -3.406289 -2.892244 ESP Fit Center 1766 is at 4.277700 -2.511472 -2.892244 ESP Fit Center 1767 is at 3.761077 -3.406289 -3.097769 ESP Fit Center 1768 is at 3.557849 -2.717427 -3.144122 ESP Fit Center 1769 is at 3.041226 -3.612244 -3.144122 ESP Fit Center 1770 is at 2.524604 -2.717427 -3.349647 ESP Fit Center 1771 is at 5.681517 -3.409460 2.615172 ESP Fit Center 1772 is at 7.804251 -3.546828 2.029885 ESP Fit Center 1773 is at 8.692615 -2.514643 1.153942 ESP Fit Center 1774 is at 8.445584 -3.596955 1.153942 ESP Fit Center 1775 is at 8.898140 -2.514643 0.120697 ESP Fit Center 1776 is at 8.692615 -1.481398 0.120697 ESP Fit Center 1777 is at 8.692615 -3.547888 0.120697 ESP Fit Center 1778 is at 8.445584 -3.596955 -0.912548 ESP Fit Center 1779 is at 6.991245 -4.251302 -1.788492 ESP Fit Center 1780 is at 7.804251 -3.546828 -1.788492 ESP Fit Center 1781 is at 6.714762 -3.409460 -2.373778 ESP Fit Center 1782 is at 6.378390 -5.817060 -0.405101 ESP Fit Center 1783 is at 2.633662 -6.226683 -2.314290 ESP Fit Center 1784 is at 2.850670 -4.783815 -2.899576 ESP Fit Center 1785 is at 4.605941 -5.680311 3.090086 ESP Fit Center 1786 is at 4.089318 -6.575127 3.090086 ESP Fit Center 1787 is at 5.481884 -5.680311 2.504800 ESP Fit Center 1788 is at 5.178807 -4.648126 2.504800 ESP Fit Center 1789 is at 2.322443 -7.123179 2.504800 ESP Fit Center 1790 is at 3.300990 -7.570066 2.504800 ESP Fit Center 1791 is at 4.365801 -7.416969 2.504800 ESP Fit Center 1792 is at 5.178807 -6.712496 2.504800 ESP Fit Center 1793 is at 6.067170 -5.680311 1.628856 ESP Fit Center 1794 is at 1.325251 -6.762623 1.628856 ESP Fit Center 1795 is at 2.017416 -7.630570 1.628856 ESP Fit Center 1796 is at 5.820140 -6.762623 1.628856 ESP Fit Center 1797 is at 6.272696 -5.680311 0.595611 ESP Fit Center 1798 is at 0.872696 -5.680311 0.595611 ESP Fit Center 1799 is at 1.078221 -6.713556 0.595611 ESP Fit Center 1800 is at 1.663507 -7.589499 0.595611 ESP Fit Center 1801 is at 6.067170 -6.713556 0.595611 ESP Fit Center 1802 is at 1.325251 -6.762623 -0.437634 ESP Fit Center 1803 is at 5.820140 -6.762623 -0.437634 ESP Fit Center 1804 is at 2.322443 -7.123179 -1.313577 ESP Fit Center 1805 is at 1.114055 -2.635149 -3.643311 ESP Fit Center 1806 is at -0.435813 -1.740332 -3.643311 ESP Fit Center 1807 is at 0.597432 -3.529965 -3.643311 ESP Fit Center 1808 is at 0.080810 -2.635149 -3.848837 ESP Fit Center 1809 is at -1.628879 -4.214815 1.113096 ESP Fit Center 1810 is at -0.595634 -4.214815 1.113096 ESP Fit Center 1811 is at -0.079011 -3.319998 -3.875853 ESP Fit Center 1812 is at -0.595634 -2.425181 -3.875853 ESP Fit Center 1813 is at -1.112257 -3.319998 -4.081379 ESP Fit Center 1814 is at -1.059683 -2.402804 -3.927624 ESP Fit Center 1815 is at -1.576306 -1.507988 -3.927624 ESP Fit Center 1816 is at -2.609551 -1.507988 -3.927624 ESP Fit Center 1817 is at -2.092928 -2.402804 -4.133149 ESP Fit Center 1818 is at -1.443835 -1.156762 -3.833400 ESP Fit Center 1819 is at -1.271572 -4.831071 1.045043 ESP Fit Center 1820 is at -0.238326 -4.831071 0.839518 ESP Fit Center 1821 is at -0.754949 -5.725888 0.839518 ESP Fit Center 1822 is at -0.478466 -6.567730 0.254231 ESP Fit Center 1823 is at -0.716499 -7.263004 -0.621712 ESP Fit Center 1824 is at -2.304817 -7.325546 -1.654957 ESP Fit Center 1825 is at -1.271572 -7.531071 -1.654957 ESP Fit Center 1826 is at -2.826851 -6.781330 -2.688202 ESP Fit Center 1827 is at -1.826644 -7.263004 -2.688202 ESP Fit Center 1828 is at -0.716499 -7.263004 -2.688202 ESP Fit Center 1829 is at 0.637617 -4.831071 -3.564145 ESP Fit Center 1830 is at -0.478466 -6.567730 -3.564145 ESP Fit Center 1831 is at 0.334540 -5.863257 -3.564145 ESP Fit Center 1832 is at -2.588373 -2.574591 -4.107918 ESP Fit Center 1833 is at -3.104996 -1.679775 -4.107918 ESP Fit Center 1834 is at -4.654864 -2.574591 -4.107918 ESP Fit Center 1835 is at -3.621618 -2.574591 -4.313443 ESP Fit Center 1836 is at -4.351420 -2.761146 2.415182 ESP Fit Center 1837 is at -4.906493 -5.193080 -1.318063 ESP Fit Center 1838 is at -6.437649 -0.429359 0.763683 ESP Fit Center 1839 is at -5.882576 -0.161292 -0.269562 ESP Fit Center 1840 is at -5.882576 -5.561292 -0.269562 ESP Fit Center 1841 is at -6.437649 -5.293225 -1.302808 ESP Fit Center 1842 is at -5.327503 -5.293225 -1.302808 ESP Fit Center 1843 is at -6.492607 -3.226062 3.262441 ESP Fit Center 1844 is at -5.399220 -3.226062 3.012882 ESP Fit Center 1845 is at -5.945914 -2.279161 3.012882 ESP Fit Center 1846 is at -7.039301 -2.279161 3.012882 ESP Fit Center 1847 is at -7.585994 -3.226062 3.012882 ESP Fit Center 1848 is at -7.039301 -4.172963 3.012882 ESP Fit Center 1849 is at -5.945914 -4.172963 3.012882 ESP Fit Center 1850 is at -5.674150 -1.433891 2.313635 ESP Fit Center 1851 is at -6.772998 -1.275901 2.313635 ESP Fit Center 1852 is at -7.782824 -1.737073 2.313635 ESP Fit Center 1853 is at -8.383015 -2.670988 2.313635 ESP Fit Center 1854 is at -8.383015 -3.781136 2.313635 ESP Fit Center 1855 is at -7.782824 -4.715052 2.313635 ESP Fit Center 1856 is at -6.772998 -5.176224 2.313635 ESP Fit Center 1857 is at -5.674150 -5.018233 2.313635 ESP Fit Center 1858 is at -4.835157 -4.291241 2.313635 ESP Fit Center 1859 is at -7.039301 -0.830841 1.303193 ESP Fit Center 1860 is at -8.024409 -1.305244 1.303193 ESP Fit Center 1861 is at -8.706124 -2.160089 1.303193 ESP Fit Center 1862 is at -8.949426 -3.226062 1.303193 ESP Fit Center 1863 is at -8.706124 -4.292036 1.303193 ESP Fit Center 1864 is at -8.024409 -5.146880 1.303193 ESP Fit Center 1865 is at -7.039301 -5.621283 1.303193 ESP Fit Center 1866 is at -5.945914 -5.621283 1.303193 ESP Fit Center 1867 is at -8.706124 -2.160089 0.181688 ESP Fit Center 1868 is at -8.949426 -3.226062 0.181688 ESP Fit Center 1869 is at -8.706124 -4.292036 0.181688 ESP Fit Center 1870 is at -8.024409 -5.146880 0.181688 ESP Fit Center 1871 is at -7.039301 -5.621283 0.181688 ESP Fit Center 1872 is at -5.945914 -5.621283 0.181688 ESP Fit Center 1873 is at -7.782824 -4.715052 -0.828754 ESP Fit Center 1874 is at -5.945979 -0.123029 -0.736491 ESP Fit Center 1875 is at -7.039366 -0.123029 -0.736491 ESP Fit Center 1876 is at -8.024473 -0.597432 -0.736491 ESP Fit Center 1877 is at -8.706189 -1.452276 -0.736491 ESP Fit Center 1878 is at -8.949490 -2.518250 -0.736491 ESP Fit Center 1879 is at -8.706189 -3.584223 -0.736491 ESP Fit Center 1880 is at -5.945979 -0.123029 -1.857996 ESP Fit Center 1881 is at -7.039366 -0.123029 -1.857996 ESP Fit Center 1882 is at -8.024473 -0.597432 -1.857996 ESP Fit Center 1883 is at -8.706189 -1.452276 -1.857996 ESP Fit Center 1884 is at -8.949490 -2.518250 -1.857996 ESP Fit Center 1885 is at -8.706189 -3.584223 -1.857996 ESP Fit Center 1886 is at -8.024473 -4.439068 -1.857996 ESP Fit Center 1887 is at -7.039366 -4.913471 -1.857996 ESP Fit Center 1888 is at -6.773063 -0.568088 -2.868438 ESP Fit Center 1889 is at -7.782889 -1.029260 -2.868438 ESP Fit Center 1890 is at -8.383080 -1.963176 -2.868438 ESP Fit Center 1891 is at -8.383080 -3.073324 -2.868438 ESP Fit Center 1892 is at -7.782889 -4.007239 -2.868438 ESP Fit Center 1893 is at -6.773063 -4.468411 -2.868438 ESP Fit Center 1894 is at -5.674215 -4.310421 -2.868438 ESP Fit Center 1895 is at -5.945979 -1.571349 -3.567685 ESP Fit Center 1896 is at -7.039366 -1.571349 -3.567685 ESP Fit Center 1897 is at -7.586059 -2.518250 -3.567685 ESP Fit Center 1898 is at -7.039366 -3.465151 -3.567685 ESP Fit Center 1899 is at -5.945979 -3.465151 -3.567685 ESP Fit Center 1900 is at -6.492672 -2.518250 -3.817243 ESP Fit Center 1901 is at 3.173041 2.456580 -2.986374 ESP Fit Center 1902 is at 3.748135 -1.391920 -3.080570 ESP Fit Center 1903 is at 3.139970 0.045608 -3.660692 ESP Fit Center 1904 is at 2.831000 1.097861 -3.660692 ESP Fit Center 1905 is at 2.002188 1.816031 -3.660692 ESP Fit Center 1906 is at 0.916674 1.972104 -3.660692 ESP Fit Center 1907 is at -0.080897 1.516528 -3.660692 ESP Fit Center 1908 is at -0.673805 0.593946 -3.660692 ESP Fit Center 1909 is at -0.673805 -0.502730 -3.660692 ESP Fit Center 1910 is at 0.916674 -1.880889 -3.660692 ESP Fit Center 1911 is at 2.002188 -1.724815 -3.660692 ESP Fit Center 1912 is at 2.831000 -1.006645 -3.660692 ESP Fit Center 1913 is at 2.207900 0.045608 -4.086354 ESP Fit Center 1914 is at 1.700781 0.923963 -4.086354 ESP Fit Center 1915 is at 0.686544 0.923963 -4.086354 ESP Fit Center 1916 is at 0.179426 0.045608 -4.086354 ESP Fit Center 1917 is at 0.686544 -0.832747 -4.086354 ESP Fit Center 1918 is at 1.700781 -0.832747 -4.086354 ESP Fit Center 1919 is at 1.193663 0.045608 -4.232180 ESP Fit Center 1920 is at -3.523338 0.915637 -3.452512 ESP Fit Center 1921 is at -4.063338 -0.019670 -3.452512 ESP Fit Center 1922 is at 0.697901 5.435817 1.488512 ESP Fit Center 1923 is at 1.498260 6.644761 -0.382102 ESP Fit Center 1924 is at 7.412275 0.005217 0.367352 ESP Fit Center 1925 is at 7.701660 0.005217 -0.712648 ESP Fit Center 1926 is at 7.412275 0.005217 -1.792648 ESP Fit Center 1927 is at 6.621660 0.005217 -2.583263 ESP Fit Center 1928 is at 6.081660 0.940524 -2.583263 ESP Fit Center 1929 is at 6.081660 -0.930091 -2.583263 ESP Fit Center 1930 is at 2.157583 -5.942646 -2.206460 ESP Fit Center 1931 is at 1.920501 -5.176382 -2.997075 ESP Fit Center 1932 is at -2.651624 7.533991 -1.453438 ESP Fit Center 1933 is at -3.502461 6.946701 -1.453438 ESP Fit Center 1934 is at -3.982912 6.031278 -1.453438 ESP Fit Center 1935 is at -1.108596 7.215927 -2.533438 ESP Fit Center 1936 is at -2.151894 7.365931 -2.533438 ESP Fit Center 1937 is at -3.110670 6.928072 -2.533438 ESP Fit Center 1938 is at -3.680519 6.041369 -2.533438 ESP Fit Center 1939 is at -0.805677 5.514356 -3.324052 ESP Fit Center 1940 is at -1.345677 6.449663 -3.324052 ESP Fit Center 1941 is at -2.425677 6.449663 -3.324052 ESP Fit Center 1942 is at -2.965677 5.514356 -3.324052 ESP Fit Center 1943 is at -2.425677 4.579049 -3.324052 ESP Fit Center 1944 is at -1.345677 4.579049 -3.324052 ESP Fit Center 1945 is at -1.885677 5.514356 -3.613438 ESP Fit Center 1946 is at 0.452623 5.595800 1.453964 ESP Fit Center 1947 is at -0.087377 6.531107 1.453964 ESP Fit Center 1948 is at 0.946285 6.607131 0.663349 ESP Fit Center 1949 is at 0.149705 7.297371 0.663349 ESP Fit Center 1950 is at 0.599643 7.373445 -0.416651 ESP Fit Center 1951 is at -0.367017 7.740051 -0.416651 ESP Fit Center 1952 is at 0.946285 6.607131 -1.496651 ESP Fit Center 1953 is at 0.149705 7.297371 -1.496651 ESP Fit Center 1954 is at -2.141268 5.368720 2.312717 ESP Fit Center 1955 is at -1.601268 6.304027 2.023332 ESP Fit Center 1956 is at -2.681268 6.304027 2.023332 ESP Fit Center 1957 is at -3.221268 5.368720 2.023332 ESP Fit Center 1958 is at -2.681268 4.433413 2.023332 ESP Fit Center 1959 is at -1.601268 4.433413 2.023332 ESP Fit Center 1960 is at -2.407484 7.220295 1.232717 ESP Fit Center 1961 is at -3.366260 6.782436 1.232717 ESP Fit Center 1962 is at -3.936109 5.895733 1.232717 ESP Fit Center 1963 is at -2.907214 7.388355 0.152717 ESP Fit Center 1964 is at -3.758051 6.801065 0.152717 ESP Fit Center 1965 is at -4.238502 5.885642 0.152717 ESP Fit Center 1966 is at -5.330352 0.691648 -2.823858 ESP Fit Center 1967 is at -5.185360 2.105365 -3.614473 ESP Fit Center 1968 is at -4.645360 1.170057 -3.614473 ESP Fit Center 1969 is at -3.565360 1.170057 -3.614473 ESP Fit Center 1970 is at -4.105360 2.105365 -3.903858 ESP Fit Center 1971 is at -4.669386 5.736799 -1.583607 ESP Fit Center 1972 is at -4.169656 5.568739 -2.663607 ESP Fit Center 1973 is at -5.128432 5.130880 -2.663607 ESP Fit Center 1974 is at -5.698281 4.244177 -2.663607 ESP Fit Center 1975 is at -3.363440 4.652471 -3.454222 ESP Fit Center 1976 is at -4.443440 4.652471 -3.454222 ESP Fit Center 1977 is at -4.983440 3.717164 -3.454222 ESP Fit Center 1978 is at -3.903440 3.717164 -3.743607 ESP Fit Center 1979 is at -4.189742 3.485049 2.899435 ESP Fit Center 1980 is at -3.649742 4.420357 2.610050 ESP Fit Center 1981 is at -4.729742 4.420357 2.610050 ESP Fit Center 1982 is at -2.319127 3.485049 1.819435 ESP Fit Center 1983 is at -4.455958 5.336624 1.819435 ESP Fit Center 1984 is at -5.030004 0.959688 2.386412 ESP Fit Center 1985 is at -5.714996 0.481279 1.595797 ESP Fit Center 1986 is at -4.756220 0.043421 1.595797 ESP Fit Center 1987 is at -5.255951 -0.124639 0.515797 ESP Fit Center 1988 is at 3.596630 7.696576 -0.911055 ESP Fit Center 1989 is at 2.570324 7.571960 -0.911055 ESP Fit Center 1990 is at 1.719487 6.984669 -0.911055 ESP Fit Center 1991 is at 4.113352 7.253896 -1.991055 ESP Fit Center 1992 is at 3.070054 7.403899 -1.991055 ESP Fit Center 1993 is at 2.111278 6.966041 -1.991055 ESP Fit Center 1994 is at 1.541429 6.079338 -1.991055 ESP Fit Center 1995 is at 4.416271 5.552324 -2.781670 ESP Fit Center 1996 is at 3.876271 6.487632 -2.781670 ESP Fit Center 1997 is at 2.796271 6.487632 -2.781670 ESP Fit Center 1998 is at 2.256271 5.552324 -2.781670 ESP Fit Center 1999 is at 2.796271 4.617017 -2.781670 ESP Fit Center 2000 is at 3.876271 4.617017 -2.781670 ESP Fit Center 2001 is at 3.336271 5.552324 -3.071055 ESP Fit Center 2002 is at 5.250928 6.339144 1.827926 ESP Fit Center 2003 is at 5.488009 7.105408 1.037311 ESP Fit Center 2004 is at 5.937947 7.181482 -0.042689 ESP Fit Center 2005 is at 4.971287 7.548088 -0.042689 ESP Fit Center 2006 is at 5.488009 7.105408 -1.122689 ESP Fit Center 2007 is at 5.790928 5.403836 -1.913303 ESP Fit Center 2008 is at 3.263055 5.406103 2.872741 ESP Fit Center 2009 is at 4.343055 5.406103 2.583356 ESP Fit Center 2010 is at 3.803055 6.341410 2.583356 ESP Fit Center 2011 is at 2.723055 6.341410 2.583356 ESP Fit Center 2012 is at 2.183055 5.406103 2.583356 ESP Fit Center 2013 is at 2.723055 4.470795 2.583356 ESP Fit Center 2014 is at 3.803055 4.470795 2.583356 ESP Fit Center 2015 is at 4.040137 7.107674 1.792741 ESP Fit Center 2016 is at 2.996839 7.257677 1.792741 ESP Fit Center 2017 is at 2.038063 6.819819 1.792741 ESP Fit Center 2018 is at 1.468213 5.933116 1.792741 ESP Fit Center 2019 is at 2.497108 7.425738 0.712741 ESP Fit Center 2020 is at 1.646272 6.838448 0.712741 ESP Fit Center 2021 is at 7.455671 0.206864 0.670164 ESP Fit Center 2022 is at 8.252251 0.897105 0.670164 ESP Fit Center 2023 is at 7.905609 0.130790 -0.409836 ESP Fit Center 2024 is at 8.591175 0.904634 -0.409836 ESP Fit Center 2025 is at 8.549204 1.908436 -1.489836 ESP Fit Center 2026 is at 8.252251 0.897105 -1.489836 ESP Fit Center 2027 is at 7.758590 1.908436 -2.280451 ESP Fit Center 2028 is at 7.218590 0.973128 -2.280451 ESP Fit Center 2029 is at 7.036751 5.701955 2.069764 ESP Fit Center 2030 is at 5.956751 5.701955 2.069764 ESP Fit Center 2031 is at 7.273832 6.468219 1.279149 ESP Fit Center 2032 is at 6.230534 6.618223 1.279149 ESP Fit Center 2033 is at 7.723770 6.544293 0.199149 ESP Fit Center 2034 is at 6.757110 6.910899 0.199149 ESP Fit Center 2035 is at 7.273832 6.468219 -0.880851 ESP Fit Center 2036 is at 9.006001 3.801720 1.908998 ESP Fit Center 2037 is at 9.796616 3.801720 1.118384 ESP Fit Center 2038 is at 9.499662 4.813051 1.118384 ESP Fit Center 2039 is at 8.703082 2.100149 1.118384 ESP Fit Center 2040 is at 9.499662 2.790389 1.118384 ESP Fit Center 2041 is at 10.086001 3.801720 0.038384 ESP Fit Center 2042 is at 9.838586 4.805522 0.038384 ESP Fit Center 2043 is at 9.153021 5.579365 0.038384 ESP Fit Center 2044 is at 9.153021 2.024075 0.038384 ESP Fit Center 2045 is at 9.838586 2.797918 0.038384 ESP Fit Center 2046 is at 9.796616 3.801720 -1.041616 ESP Fit Center 2047 is at 9.499662 4.813051 -1.041616 ESP Fit Center 2048 is at 9.499662 2.790389 -1.041616 ESP Fit Center 2049 is at 9.006001 3.801720 -1.832231 ESP Fit Center 2050 is at 8.890756 -2.062593 -0.594510 ESP Fit Center 2051 is at 8.643341 -1.058791 -0.594510 ESP Fit Center 2052 is at 7.957776 -0.284948 -0.594510 ESP Fit Center 2053 is at 8.601371 -2.062593 -1.674510 ESP Fit Center 2054 is at 8.304417 -1.051262 -1.674510 ESP Fit Center 2055 is at 7.507837 -0.361022 -1.674510 ESP Fit Center 2056 is at 8.304417 -3.073923 -1.674510 ESP Fit Center 2057 is at 7.810756 -2.062593 -2.465125 ESP Fit Center 2058 is at 7.270756 -1.127285 -2.465125 ESP Fit Center 2059 is at 6.190756 -1.127285 -2.465125 ESP Fit Center 2060 is at 7.270756 -2.997900 -2.465125 ESP Fit Center 2061 is at 6.730756 -2.062593 -2.754510 ESP Fit Center 2062 is at 5.904470 -4.418082 2.027289 ESP Fit Center 2063 is at 6.984470 -4.418082 2.027289 ESP Fit Center 2064 is at 6.178253 -5.334349 1.236674 ESP Fit Center 2065 is at 7.221551 -5.184346 1.236674 ESP Fit Center 2066 is at 8.018131 -4.494105 1.236674 ESP Fit Center 2067 is at 6.704829 -5.627026 0.156674 ESP Fit Center 2068 is at 7.671489 -5.260420 0.156674 ESP Fit Center 2069 is at 8.357055 -4.486576 0.156674 ESP Fit Center 2070 is at 7.221551 -5.184346 -0.923326 ESP Fit Center 2071 is at 8.018131 -4.494105 -0.923326 ESP Fit Center 2072 is at 6.984470 -4.418082 -1.713941 ESP Fit Center 2073 is at 6.395193 -2.088089 3.162767 ESP Fit Center 2074 is at 7.475193 -2.088089 2.873382 ESP Fit Center 2075 is at 6.935193 -1.152782 2.873382 ESP Fit Center 2076 is at 5.855193 -1.152782 2.873382 ESP Fit Center 2077 is at 5.315193 -2.088089 2.873382 ESP Fit Center 2078 is at 5.855193 -3.023397 2.873382 ESP Fit Center 2079 is at 6.935193 -3.023397 2.873382 ESP Fit Center 2080 is at 8.265808 -2.088089 2.082767 ESP Fit Center 2081 is at 7.968854 -1.076758 2.082767 ESP Fit Center 2082 is at 7.172274 -0.386518 2.082767 ESP Fit Center 2083 is at 6.128977 -0.236514 2.082767 ESP Fit Center 2084 is at 5.170201 -0.674373 2.082767 ESP Fit Center 2085 is at 7.968854 -3.099420 2.082767 ESP Fit Center 2086 is at 7.622213 -0.310444 1.002767 ESP Fit Center 2087 is at 5.466839 -7.028014 -1.215450 ESP Fit Center 2088 is at 6.152404 -6.254171 -1.215450 ESP Fit Center 2089 is at 6.110434 -5.250369 -2.295450 ESP Fit Center 2090 is at 5.813481 -4.239038 -2.295450 ESP Fit Center 2091 is at 3.014827 -6.664086 -2.295450 ESP Fit Center 2092 is at 3.973603 -7.101944 -2.295450 ESP Fit Center 2093 is at 5.016901 -6.951940 -2.295450 ESP Fit Center 2094 is at 5.813481 -6.261700 -2.295450 ESP Fit Center 2095 is at 5.319819 -5.250369 -3.086065 ESP Fit Center 2096 is at 4.779819 -4.315062 -3.086065 ESP Fit Center 2097 is at 3.699819 -4.315062 -3.086065 ESP Fit Center 2098 is at 3.159819 -5.250369 -3.086065 ESP Fit Center 2099 is at 3.699819 -6.185677 -3.086065 ESP Fit Center 2100 is at 4.779819 -6.185677 -3.086065 ESP Fit Center 2101 is at 4.239819 -5.250369 -3.375450 ESP Fit Center 2102 is at 3.205272 -5.350859 3.625852 ESP Fit Center 2103 is at 4.285272 -5.350859 3.336467 ESP Fit Center 2104 is at 3.745272 -4.415552 3.336467 ESP Fit Center 2105 is at 2.665272 -4.415552 3.336467 ESP Fit Center 2106 is at 2.125272 -5.350859 3.336467 ESP Fit Center 2107 is at 2.665272 -6.286167 3.336467 ESP Fit Center 2108 is at 3.745272 -6.286167 3.336467 ESP Fit Center 2109 is at 3.982353 -3.649288 2.545852 ESP Fit Center 2110 is at 2.939055 -3.499285 2.545852 ESP Fit Center 2111 is at 1.980279 -3.937143 2.545852 ESP Fit Center 2112 is at 1.410430 -4.823846 2.545852 ESP Fit Center 2113 is at 1.410430 -5.877872 2.545852 ESP Fit Center 2114 is at 1.980279 -6.764576 2.545852 ESP Fit Center 2115 is at 1.108037 -4.833937 1.465852 ESP Fit Center 2116 is at 2.488811 -8.073501 1.531159 ESP Fit Center 2117 is at 3.447587 -8.511360 1.531159 ESP Fit Center 2118 is at 4.490885 -8.361356 1.531159 ESP Fit Center 2119 is at 5.287465 -7.671116 1.531159 ESP Fit Center 2120 is at 2.097020 -8.092130 0.451159 ESP Fit Center 2121 is at 2.947857 -8.679420 0.451159 ESP Fit Center 2122 is at 3.974163 -8.804036 0.451159 ESP Fit Center 2123 is at 4.940824 -8.437430 0.451159 ESP Fit Center 2124 is at 5.626389 -7.663587 0.451159 ESP Fit Center 2125 is at 2.488811 -8.073501 -0.628841 ESP Fit Center 2126 is at 3.447587 -8.511360 -0.628841 ESP Fit Center 2127 is at 4.490885 -8.361356 -0.628841 ESP Fit Center 2128 is at 5.287465 -7.671116 -0.628841 ESP Fit Center 2129 is at 3.173804 -7.595092 -1.419456 ESP Fit Center 2130 is at 4.253804 -7.595092 -1.419456 ESP Fit Center 2131 is at -1.925295 -5.220356 1.154020 ESP Fit Center 2132 is at -2.465295 -6.155663 0.864635 ESP Fit Center 2133 is at -1.385295 -6.155663 0.864635 ESP Fit Center 2134 is at -3.150287 -6.634072 0.074020 ESP Fit Center 2135 is at -2.191511 -7.071930 0.074020 ESP Fit Center 2136 is at -1.148213 -6.921927 0.074020 ESP Fit Center 2137 is at -4.022529 -5.737277 -1.005980 ESP Fit Center 2138 is at -3.542078 -6.652701 -1.005980 ESP Fit Center 2139 is at -2.691241 -7.239991 -1.005980 ESP Fit Center 2140 is at 0.153086 -6.219756 0.322540 ESP Fit Center 2141 is at 0.390167 -6.986019 -0.468075 ESP Fit Center 2142 is at -0.126555 -7.428699 -1.548075 ESP Fit Center 2143 is at 0.840106 -7.062093 -1.548075 ESP Fit Center 2144 is at 0.390167 -6.986019 -2.628075 ESP Fit Center 2145 is at 1.186747 -6.295779 -2.628075 ESP Fit Center 2146 is at -3.400634 -5.494932 -3.667158 ESP Fit Center 2147 is at -2.830785 -6.381635 -3.667158 ESP Fit Center 2148 is at -1.872009 -6.819494 -3.667158 ESP Fit Center 2149 is at -0.828711 -6.669490 -3.667158 ESP Fit Center 2150 is at -0.525793 -4.967919 -4.457773 ESP Fit Center 2151 is at -1.065793 -4.032612 -4.457773 ESP Fit Center 2152 is at -2.145793 -4.032612 -4.457773 ESP Fit Center 2153 is at -2.685793 -4.967919 -4.457773 ESP Fit Center 2154 is at -2.145793 -5.903226 -4.457773 ESP Fit Center 2155 is at -1.065793 -5.903226 -4.457773 ESP Fit Center 2156 is at -1.605793 -4.967919 -4.747158 ESP Fit Center 2157 is at -5.419222 -4.811671 -2.178405 ESP Fit Center 2158 is at -4.568385 -5.398961 -2.178405 ESP Fit Center 2159 is at -5.597280 -3.906339 -3.258405 ESP Fit Center 2160 is at -5.027431 -4.793043 -3.258405 ESP Fit Center 2161 is at -4.068655 -5.230901 -3.258405 ESP Fit Center 2162 is at -2.722439 -3.379326 -4.049020 ESP Fit Center 2163 is at -4.882439 -3.379326 -4.049020 ESP Fit Center 2164 is at -4.342439 -4.314634 -4.049020 ESP Fit Center 2165 is at -3.262439 -4.314634 -4.049020 ESP Fit Center 2166 is at -3.802439 -3.379326 -4.338405 ESP Fit Center 2167 is at -5.223789 -0.349338 -3.139506 ESP Fit Center 2168 is at -3.458797 -0.827747 -3.930121 ESP Fit Center 2169 is at -4.538797 -0.827747 -3.930121 ESP Fit Center 2170 is at -5.078797 -1.763054 -3.930121 ESP Fit Center 2171 is at -3.998797 -1.763054 -4.219506 ESP Fit Center 2172 is at -4.138603 -1.996757 2.483623 ESP Fit Center 2173 is at -4.678603 -1.061450 2.194238 ESP Fit Center 2174 is at -4.404820 -0.145183 1.403623 ESP Fit Center 2175 is at -5.363596 -0.583041 1.403623 ESP Fit Center 2176 is at -4.056645 -3.616716 2.300756 ESP Fit Center 2177 is at -4.596645 -4.552023 2.011371 ESP Fit Center 2178 is at -3.516645 -4.552023 2.011371 ESP Fit Center 2179 is at -4.322862 -5.468290 1.220756 ESP Fit Center 2180 is at -3.279564 -5.318287 1.220756 ESP Fit Center 2181 is at -2.482984 -4.628046 1.220756 ESP Fit Center 2182 is at -4.822592 -5.636351 0.140756 ESP Fit Center 2183 is at -3.796286 -5.760967 0.140756 ESP Fit Center 2184 is at -4.322862 -5.468290 -0.939244 ESP Fit Center 2185 is at -1.785709 1.711363 5.882180 ESP Fit Center 2186 is at -0.696221 1.848732 5.296893 ESP Fit Center 2187 is at -1.509227 2.553205 5.296893 ESP Fit Center 2188 is at -2.574038 2.706302 5.296893 ESP Fit Center 2189 is at -3.552585 2.259415 5.296893 ESP Fit Center 2190 is at -0.747053 2.766805 4.420950 ESP Fit Center 2191 is at -1.747259 3.248480 4.420950 ESP Fit Center 2192 is at -3.857612 2.766805 4.420950 ESP Fit Center 2193 is at -4.549776 1.898859 4.420950 ESP Fit Center 2194 is at -4.796807 0.816547 4.420950 ESP Fit Center 2195 is at -1.269087 3.311021 3.387705 ESP Fit Center 2196 is at -4.796807 1.849792 3.387705 ESP Fit Center 2197 is at -5.002332 0.816547 3.387705 ESP Fit Center 2198 is at -4.796807 -0.216699 3.387705 ESP Fit Center 2199 is at -4.211520 -1.092642 3.387705 ESP Fit Center 2200 is at -4.549776 -0.265765 2.354460 ESP Fit Center 2201 is at -3.857612 -1.133712 2.354460 ESP Fit Center 2202 is at -2.631537 0.502995 6.449194 ESP Fit Center 2203 is at -2.091537 1.438302 6.159809 ESP Fit Center 2204 is at -3.171537 1.438302 6.159809 ESP Fit Center 2205 is at -3.711537 0.502995 6.159809 ESP Fit Center 2206 is at -3.171537 -0.432312 6.159809 ESP Fit Center 2207 is at -3.856529 1.916711 5.369194 ESP Fit Center 2208 is at -4.426379 1.030008 5.369194 ESP Fit Center 2209 is at -4.426379 -0.024018 5.369194 ESP Fit Center 2210 is at -3.856529 -0.910721 5.369194 ESP Fit Center 2211 is at -4.728772 -0.013927 4.289194 ESP Fit Center 2212 is at -4.248320 -0.929350 4.289194 ESP Fit Center 2213 is at -0.588825 3.236588 3.477103 ESP Fit Center 2214 is at 0.999494 3.299129 2.443858 ESP Fit Center 2215 is at -0.461409 3.472045 2.819274 ESP Fit Center 2216 is at 0.371258 1.203738 5.534452 ESP Fit Center 2217 is at 1.451258 1.203738 5.245067 ESP Fit Center 2218 is at 0.911258 2.139045 5.245067 ESP Fit Center 2219 is at -0.168742 2.139045 5.245067 ESP Fit Center 2220 is at 2.241872 1.203738 4.454452 ESP Fit Center 2221 is at 1.944919 2.215068 4.454452 ESP Fit Center 2222 is at 1.148339 2.905309 4.454452 ESP Fit Center 2223 is at 0.105041 3.055312 4.454452 ESP Fit Center 2224 is at 1.598277 2.981383 3.374452 ESP Fit Center 2225 is at 0.631617 3.347989 3.374452 ESP Fit Center 2226 is at 2.350894 -0.226184 4.688682 ESP Fit Center 2227 is at 3.298312 -0.226184 4.141690 ESP Fit Center 2228 is at 3.027043 0.786206 4.141690 ESP Fit Center 2229 is at 2.285921 -1.979696 4.141690 ESP Fit Center 2230 is at 3.027043 -1.238575 4.141690 ESP Fit Center 2231 is at 4.001511 -0.226184 3.303650 ESP Fit Center 2232 is at 3.793856 0.817769 3.303650 ESP Fit Center 2233 is at 3.202504 1.702789 3.303650 ESP Fit Center 2234 is at 2.317484 2.294141 3.303650 ESP Fit Center 2235 is at 1.273531 -2.954164 3.303650 ESP Fit Center 2236 is at 2.317484 -2.746509 3.303650 ESP Fit Center 2237 is at 3.202504 -2.155157 3.303650 ESP Fit Center 2238 is at 3.793856 -1.270137 3.303650 ESP Fit Center 2239 is at 4.375675 -0.226184 2.275642 ESP Fit Center 2240 is at 4.188593 0.834812 2.275642 ESP Fit Center 2241 is at 3.649911 1.767836 2.275642 ESP Fit Center 2242 is at 2.824603 2.460352 2.275642 ESP Fit Center 2243 is at 1.812213 2.828832 2.275642 ESP Fit Center 2244 is at 1.812213 -3.281200 2.275642 ESP Fit Center 2245 is at 2.824603 -2.912720 2.275642 ESP Fit Center 2246 is at -2.819611 -1.778570 5.454837 ESP Fit Center 2247 is at -3.235202 -2.323002 4.578894 ESP Fit Center 2248 is at -0.510949 -1.096032 7.138326 ESP Fit Center 2249 is at 0.582438 -1.096032 6.888768 ESP Fit Center 2250 is at 0.035745 -0.149131 6.888768 ESP Fit Center 2251 is at -1.057642 -0.149131 6.888768 ESP Fit Center 2252 is at -1.604336 -1.096032 6.888768 ESP Fit Center 2253 is at -1.057642 -2.042933 6.888768 ESP Fit Center 2254 is at 0.035745 -2.042933 6.888768 ESP Fit Center 2255 is at 1.459266 -1.096032 6.189520 ESP Fit Center 2256 is at 1.146502 -0.030853 6.189520 ESP Fit Center 2257 is at 0.307508 0.696139 6.189520 ESP Fit Center 2258 is at -0.791340 0.854130 6.189520 ESP Fit Center 2259 is at -2.401357 -0.540958 6.189520 ESP Fit Center 2260 is at -2.401357 -1.651105 6.189520 ESP Fit Center 2261 is at -1.801166 -2.585021 6.189520 ESP Fit Center 2262 is at -0.791340 -3.046193 6.189520 ESP Fit Center 2263 is at 0.307508 -2.888203 6.189520 ESP Fit Center 2264 is at 1.146502 -2.161210 6.189520 ESP Fit Center 2265 is at 1.945869 -1.096032 5.179079 ESP Fit Center 2266 is at 1.702568 -0.030058 5.179079 ESP Fit Center 2267 is at 0.035745 -3.491252 5.179079 ESP Fit Center 2268 is at 1.020852 -3.016850 5.179079 ESP Fit Center 2269 is at 1.702568 -2.162005 5.179079 ESP Fit Center 2270 is at -1.723119 -3.322517 5.382737 ESP Fit Center 2271 is at -3.066833 -2.930690 4.683490 ESP Fit Center 2272 is at -2.466642 -3.864606 4.683490 ESP Fit Center 2273 is at -1.456816 -4.325778 4.683490 ESP Fit Center 2274 is at -0.357968 -4.167787 4.683490 ESP Fit Center 2275 is at 0.481025 -3.440795 4.683490 ESP Fit Center 2276 is at -3.633244 -2.375616 3.673048 ESP Fit Center 2277 is at -3.389942 -3.441590 3.673048 ESP Fit Center 2278 is at -2.708227 -4.296434 3.673048 ESP Fit Center 2279 is at -1.723119 -4.770837 3.673048 ESP Fit Center 2280 is at -0.629732 -4.770837 3.673048 ESP Fit Center 2281 is at 0.355376 -4.296434 3.673048 ESP Fit Center 2282 is at 1.037091 -3.441590 3.673048 ESP Fit Center 2283 is at -3.633244 -2.375616 2.551543 ESP Fit Center 2284 is at -3.389942 -3.441590 2.551543 ESP Fit Center 2285 is at -2.708227 -4.296434 2.551543 ESP Fit Center 2286 is at -1.723119 -4.770837 2.551543 ESP Fit Center 2287 is at -0.629732 -4.770837 2.551543 ESP Fit Center 2288 is at 0.355376 -4.296434 2.551543 ESP Fit Center 2289 is at 1.037091 -3.441590 2.551543 ESP Fit Center 2290 is at -1.456816 -4.325778 1.541101 ESP Fit Center 2291 is at -0.357968 -4.167787 1.541101 ESP Fit Center 2292 is at -2.895224 3.518430 4.056011 ESP Fit Center 2293 is at -3.854000 3.080572 4.056011 ESP Fit Center 2294 is at -1.401988 3.444500 2.976011 ESP Fit Center 2295 is at -2.368649 3.811106 2.976011 ESP Fit Center 2296 is at -3.394954 3.686490 2.976011 ESP Fit Center 2297 is at -4.245791 3.099200 2.976011 ESP Fit Center 2298 is at -4.726242 2.183777 2.976011 ESP Fit Center 2299 is at -1.024548 0.081343 -4.053538 ESP Fit Center 2300 is at -1.537578 0.969937 -4.053538 ESP Fit Center 2301 is at -2.563639 0.969937 -4.053538 ESP Fit Center 2302 is at -3.076669 0.081343 -4.053538 ESP Fit Center 2303 is at -2.563639 -0.807252 -4.053538 ESP Fit Center 2304 is at -2.050609 0.081343 -4.234460 ESP Fit Center 2305 is at 1.681147 4.393824 2.374381 ESP Fit Center 2306 is at 0.655087 4.393824 2.374381 ESP Fit Center 2307 is at 0.893682 5.413965 1.853437 ESP Fit Center 2308 is at 0.893682 5.413965 -2.742830 ESP Fit Center 2309 is at 1.681147 4.393824 -3.263774 ESP Fit Center 2310 is at 0.655087 4.393824 -3.263774 ESP Fit Center 2311 is at 1.168117 3.505230 -3.444696 ESP Fit Center 2312 is at 5.591141 0.087331 2.304345 ESP Fit Center 2313 is at 5.078110 0.975926 2.304345 ESP Fit Center 2314 is at 6.187322 1.129883 -2.812866 ESP Fit Center 2315 is at 5.591141 0.087331 -3.333810 ESP Fit Center 2316 is at 5.078110 0.975926 -3.333810 ESP Fit Center 2317 is at 4.052050 -0.801263 -3.333810 ESP Fit Center 2318 is at 5.078110 -0.801263 -3.333810 ESP Fit Center 2319 is at 4.565080 0.087331 -3.514732 ESP Fit Center 2320 is at 0.786293 -4.142014 1.829424 ESP Fit Center 2321 is at 0.036514 -4.710779 1.308479 ESP Fit Center 2322 is at 2.100394 -5.007520 -3.287787 ESP Fit Center 2323 is at 2.921565 -4.295971 -3.287787 ESP Fit Center 2324 is at 2.325384 -3.253419 -3.808732 ESP Fit Center 2325 is at 1.812353 -2.364825 -3.808732 ESP Fit Center 2326 is at 0.786293 -4.142014 -3.808732 ESP Fit Center 2327 is at 1.812353 -4.142014 -3.808732 ESP Fit Center 2328 is at 1.299323 -3.253419 -3.989654 ESP Fit Center 2329 is at -1.040313 2.234234 -3.752306 ESP Fit Center 2330 is at -1.553343 1.345640 -3.933229 ESP Fit Center 2331 is at -1.233728 2.621860 -3.763462 ESP Fit Center 2332 is at -1.746758 3.510454 -3.763462 ESP Fit Center 2333 is at -2.259789 2.621860 -3.944384 ESP Fit Center 2334 is at -0.291588 3.597424 -3.525770 ESP Fit Center 2335 is at -0.804618 4.486018 -3.525770 ESP Fit Center 2336 is at -1.317648 3.597424 -3.706692 ESP Fit Center 2337 is at 0.441251 3.794705 -3.403876 ESP Fit Center 2338 is at -0.071779 2.906111 -3.584798 ESP Fit Center 2339 is at -0.484414 5.162230 2.222994 ESP Fit Center 2340 is at -0.997445 6.050824 2.222994 ESP Fit Center 2341 is at -0.997445 4.273635 2.222994 ESP Fit Center 2342 is at -0.709404 6.916330 1.702049 ESP Fit Center 2343 is at -0.707625 7.633147 0.903916 ESP Fit Center 2344 is at -1.782048 7.746073 0.903916 ESP Fit Center 2345 is at -1.237875 8.104050 -0.075139 ESP Fit Center 2346 is at -2.318991 8.003870 -0.075139 ESP Fit Center 2347 is at -3.290913 7.519910 -0.075139 ESP Fit Center 2348 is at -1.237875 8.104050 -1.117029 ESP Fit Center 2349 is at -2.318991 8.003870 -1.117029 ESP Fit Center 2350 is at -3.290913 7.519910 -1.117029 ESP Fit Center 2351 is at -4.022376 6.717533 -1.117029 ESP Fit Center 2352 is at 0.227977 7.092977 -2.096084 ESP Fit Center 2353 is at -0.707625 7.633147 -2.096084 ESP Fit Center 2354 is at 0.417888 5.162230 -2.894217 ESP Fit Center 2355 is at 0.111767 6.204781 -2.894217 ESP Fit Center 2356 is at -0.484414 5.162230 -3.415162 ESP Fit Center 2357 is at -5.597549 3.371710 -3.451414 ESP Fit Center 2358 is at -2.721238 2.828427 -3.972358 ESP Fit Center 2359 is at -3.234268 3.717022 -3.972358 ESP Fit Center 2360 is at -4.260329 3.717022 -3.972358 ESP Fit Center 2361 is at -4.773359 2.828427 -3.972358 ESP Fit Center 2362 is at -3.747299 2.828427 -4.153280 ESP Fit Center 2363 is at -5.574225 2.803417 2.919984 ESP Fit Center 2364 is at -5.061194 1.914823 2.919984 ESP Fit Center 2365 is at -6.537607 2.190836 2.698432 ESP Fit Center 2366 is at -7.287386 1.622071 2.177488 ESP Fit Center 2367 is at -6.299011 1.170695 2.177488 ESP Fit Center 2368 is at -8.126464 1.552319 1.379354 ESP Fit Center 2369 is at -7.323615 0.829430 1.379354 ESP Fit Center 2370 is at -6.296150 0.495586 1.379354 ESP Fit Center 2371 is at -6.299011 4.988165 -2.418779 ESP Fit Center 2372 is at -6.548512 3.998759 3.319850 ESP Fit Center 2373 is at -5.476998 3.998759 3.106713 ESP Fit Center 2374 is at -6.012755 4.926717 3.106713 ESP Fit Center 2375 is at -7.084268 4.926717 3.106713 ESP Fit Center 2376 is at -7.620025 3.998759 3.106713 ESP Fit Center 2377 is at -7.084268 3.070801 3.106713 ESP Fit Center 2378 is at -6.012755 3.070801 3.106713 ESP Fit Center 2379 is at -4.833869 4.988709 2.499749 ESP Fit Center 2380 is at -5.558562 5.713402 2.499749 ESP Fit Center 2381 is at -6.548512 5.978658 2.499749 ESP Fit Center 2382 is at -7.538461 5.713402 2.499749 ESP Fit Center 2383 is at -8.263154 4.988709 2.499749 ESP Fit Center 2384 is at -8.528411 3.998759 2.499749 ESP Fit Center 2385 is at -8.263154 3.008810 2.499749 ESP Fit Center 2386 is at -7.538461 2.284116 2.499749 ESP Fit Center 2387 is at -4.817563 5.921173 1.591364 ESP Fit Center 2388 is at -5.749127 6.459012 1.591364 ESP Fit Center 2389 is at -6.818912 6.571451 1.591364 ESP Fit Center 2390 is at -7.841943 6.239048 1.591364 ESP Fit Center 2391 is at -8.641327 5.519279 1.591364 ESP Fit Center 2392 is at -9.078845 4.536598 1.591364 ESP Fit Center 2393 is at -9.078845 3.460920 1.591364 ESP Fit Center 2394 is at -8.641327 2.478239 1.591364 ESP Fit Center 2395 is at -4.479287 5.885107 0.519850 ESP Fit Center 2396 is at -5.300444 6.505216 0.519850 ESP Fit Center 2397 is at -6.290160 6.786815 0.519850 ESP Fit Center 2398 is at -7.314768 6.691871 0.519850 ESP Fit Center 2399 is at -8.235889 6.233207 0.519850 ESP Fit Center 2400 is at -8.929120 5.472769 0.519850 ESP Fit Center 2401 is at -9.300836 4.513258 0.519850 ESP Fit Center 2402 is at -9.300836 3.484261 0.519850 ESP Fit Center 2403 is at -4.817563 5.921173 -0.551663 ESP Fit Center 2404 is at -5.749127 6.459012 -0.551663 ESP Fit Center 2405 is at -6.818912 6.571451 -0.551663 ESP Fit Center 2406 is at -7.841943 6.239048 -0.551663 ESP Fit Center 2407 is at -8.641327 5.519279 -0.551663 ESP Fit Center 2408 is at -9.078845 4.536598 -0.551663 ESP Fit Center 2409 is at -6.548512 5.978658 -1.460049 ESP Fit Center 2410 is at -7.538461 5.713402 -1.460049 ESP Fit Center 2411 is at -8.263154 4.988709 -1.460049 ESP Fit Center 2412 is at -8.376647 1.458819 1.060823 ESP Fit Center 2413 is at -7.651953 0.734125 1.060823 ESP Fit Center 2414 is at -9.192337 2.986607 0.152437 ESP Fit Center 2415 is at -9.192337 1.910929 0.152437 ESP Fit Center 2416 is at -8.754820 0.928249 0.152437 ESP Fit Center 2417 is at -7.955435 0.208479 0.152437 ESP Fit Center 2418 is at -9.042612 3.922778 -0.919076 ESP Fit Center 2419 is at -9.414329 2.963267 -0.919076 ESP Fit Center 2420 is at -9.414329 1.934270 -0.919076 ESP Fit Center 2421 is at -9.042612 0.974758 -0.919076 ESP Fit Center 2422 is at -8.349381 0.214320 -0.919076 ESP Fit Center 2423 is at -7.955435 4.689057 -1.990590 ESP Fit Center 2424 is at -8.754820 3.969288 -1.990590 ESP Fit Center 2425 is at -9.192337 2.986607 -1.990590 ESP Fit Center 2426 is at -9.192337 1.910929 -1.990590 ESP Fit Center 2427 is at -8.754820 0.928249 -1.990590 ESP Fit Center 2428 is at -7.955435 0.208479 -1.990590 ESP Fit Center 2429 is at -6.662004 4.428667 -2.898975 ESP Fit Center 2430 is at -7.651953 4.163411 -2.898975 ESP Fit Center 2431 is at -8.376647 3.438718 -2.898975 ESP Fit Center 2432 is at -8.641903 2.448768 -2.898975 ESP Fit Center 2433 is at -8.376647 1.458819 -2.898975 ESP Fit Center 2434 is at -7.651953 0.734125 -2.898975 ESP Fit Center 2435 is at -6.662004 0.468869 -2.898975 ESP Fit Center 2436 is at -6.126247 3.376726 -3.505939 ESP Fit Center 2437 is at -7.197761 3.376726 -3.505939 ESP Fit Center 2438 is at -7.733517 2.448768 -3.505939 ESP Fit Center 2439 is at -7.197761 1.520810 -3.505939 ESP Fit Center 2440 is at -6.126247 1.520810 -3.505939 ESP Fit Center 2441 is at -6.662004 2.448768 -3.719076 ESP Fit Center 2442 is at 1.932037 3.779440 2.448811 ESP Fit Center 2443 is at 3.471127 2.890846 -3.189345 ESP Fit Center 2444 is at 2.958097 3.779440 -3.189345 ESP Fit Center 2445 is at 2.445067 2.890846 -3.370267 ESP Fit Center 2446 is at 3.677153 3.592590 2.748201 ESP Fit Center 2447 is at 4.703214 3.592590 2.567279 ESP Fit Center 2448 is at 2.651093 3.592590 2.567279 ESP Fit Center 2449 is at 3.164123 2.703996 2.567279 ESP Fit Center 2450 is at 4.190184 4.481184 -3.070877 ESP Fit Center 2451 is at 3.164123 4.481184 -3.070877 ESP Fit Center 2452 is at 3.677153 3.592590 -3.251799 ESP Fit Center 2453 is at 4.670224 2.606706 2.674047 ESP Fit Center 2454 is at 5.183254 3.495300 2.493125 ESP Fit Center 2455 is at 5.183254 1.718112 2.493125 ESP Fit Center 2456 is at 5.183254 3.495300 -3.145031 ESP Fit Center 2457 is at 4.670224 2.606706 -3.325953 ESP Fit Center 2458 is at 4.989780 1.355451 -3.280433 ESP Fit Center 2459 is at 3.963720 1.355451 -3.461355 ESP Fit Center 2460 is at 4.779508 5.122115 2.708192 ESP Fit Center 2461 is at 4.266478 4.233521 2.708192 ESP Fit Center 2462 is at 5.375690 6.164667 2.187247 ESP Fit Center 2463 is at 4.554518 6.876216 2.187247 ESP Fit Center 2464 is at 4.556297 7.593032 1.389114 ESP Fit Center 2465 is at 3.481875 7.705959 1.389114 ESP Fit Center 2466 is at 5.070347 7.766806 0.410058 ESP Fit Center 2467 is at 4.026047 8.063935 0.410058 ESP Fit Center 2468 is at 2.944931 7.963755 0.410058 ESP Fit Center 2469 is at 1.973010 7.479796 0.410058 ESP Fit Center 2470 is at 5.070347 7.766806 -0.631831 ESP Fit Center 2471 is at 4.026047 8.063935 -0.631831 ESP Fit Center 2472 is at 2.944931 7.963755 -0.631831 ESP Fit Center 2473 is at 5.491900 7.052862 -1.610886 ESP Fit Center 2474 is at 4.556297 7.593032 -1.610886 ESP Fit Center 2475 is at 5.681810 5.122115 -2.409020 ESP Fit Center 2476 is at 5.375690 6.164667 -2.409020 ESP Fit Center 2477 is at 4.779508 5.122115 -2.929964 ESP Fit Center 2478 is at 6.108280 2.714720 2.744702 ESP Fit Center 2479 is at 5.595250 1.826126 2.563780 ESP Fit Center 2480 is at 6.621310 1.826126 2.563780 ESP Fit Center 2481 is at 6.909351 0.960620 2.042835 ESP Fit Center 2482 is at 7.730522 1.672169 2.042835 ESP Fit Center 2483 is at 8.036643 2.714720 -2.553431 ESP Fit Center 2484 is at 7.134341 2.714720 -3.074376 ESP Fit Center 2485 is at 6.621310 3.603315 -3.074376 ESP Fit Center 2486 is at 5.595250 3.603315 -3.074376 ESP Fit Center 2487 is at 5.595250 1.826126 -3.074376 ESP Fit Center 2488 is at 6.621310 1.826126 -3.074376 ESP Fit Center 2489 is at 6.108280 2.714720 -3.255298 ESP Fit Center 2490 is at 6.929093 3.882822 3.023199 ESP Fit Center 2491 is at 7.955153 3.882822 2.842277 ESP Fit Center 2492 is at 7.442123 4.771417 2.842277 ESP Fit Center 2493 is at 6.416063 4.771417 2.842277 ESP Fit Center 2494 is at 5.903032 3.882822 2.842277 ESP Fit Center 2495 is at 6.416063 2.994228 2.842277 ESP Fit Center 2496 is at 7.442123 2.994228 2.842277 ESP Fit Center 2497 is at 8.857456 3.882822 2.321332 ESP Fit Center 2498 is at 8.551335 4.925374 2.321332 ESP Fit Center 2499 is at 7.730164 5.636923 2.321332 ESP Fit Center 2500 is at 7.730164 2.128722 2.321332 ESP Fit Center 2501 is at 8.551335 2.840271 2.321332 ESP Fit Center 2502 is at 8.667545 5.813569 1.523199 ESP Fit Center 2503 is at 7.731942 6.353740 1.523199 ESP Fit Center 2504 is at 8.667545 1.952075 1.523199 ESP Fit Center 2505 is at 9.112438 5.873204 0.544144 ESP Fit Center 2506 is at 8.245993 6.527514 0.544144 ESP Fit Center 2507 is at 9.112438 5.873204 -0.497745 ESP Fit Center 2508 is at 8.245993 6.527514 -0.497745 ESP Fit Center 2509 is at 8.667545 5.813569 -1.476801 ESP Fit Center 2510 is at 7.731942 6.353740 -1.476801 ESP Fit Center 2511 is at 8.857456 3.882822 -2.274934 ESP Fit Center 2512 is at 8.551335 4.925374 -2.274934 ESP Fit Center 2513 is at 7.730164 5.636923 -2.274934 ESP Fit Center 2514 is at 6.654658 5.791557 -2.274934 ESP Fit Center 2515 is at 8.551335 2.840271 -2.274934 ESP Fit Center 2516 is at 7.955153 3.882822 -2.795879 ESP Fit Center 2517 is at 7.442123 4.771417 -2.795879 ESP Fit Center 2518 is at 6.416063 4.771417 -2.795879 ESP Fit Center 2519 is at 6.929093 3.882822 -2.976801 ESP Fit Center 2520 is at 3.984621 -1.179766 -3.323431 ESP Fit Center 2521 is at 4.700176 -2.378096 2.807922 ESP Fit Center 2522 is at 4.187146 -3.266691 2.627000 ESP Fit Center 2523 is at 5.726236 -2.378096 -3.011156 ESP Fit Center 2524 is at 4.700176 -2.378096 -3.192078 ESP Fit Center 2525 is at 4.787137 -3.406289 -3.216847 ESP Fit Center 2526 is at 4.274107 -2.517694 -3.216847 ESP Fit Center 2527 is at 3.761077 -3.406289 -3.397769 ESP Fit Center 2528 is at 3.550664 -2.717427 -3.468725 ESP Fit Center 2529 is at 3.037634 -3.606022 -3.468725 ESP Fit Center 2530 is at 5.685110 -3.403237 2.939775 ESP Fit Center 2531 is at 5.923705 -4.423378 2.418830 ESP Fit Center 2532 is at 6.999211 -4.268744 2.418830 ESP Fit Center 2533 is at 7.820382 -3.557195 2.418830 ESP Fit Center 2534 is at 8.796216 -2.514643 1.620697 ESP Fit Center 2535 is at 8.571601 -3.571376 1.620697 ESP Fit Center 2536 is at 9.152563 -2.514643 0.641641 ESP Fit Center 2537 is at 8.953057 -1.447382 0.641641 ESP Fit Center 2538 is at 8.381485 -0.524261 0.641641 ESP Fit Center 2539 is at 8.953057 -3.581904 0.641641 ESP Fit Center 2540 is at 9.152563 -2.514643 -0.400248 ESP Fit Center 2541 is at 8.953057 -3.581904 -0.400248 ESP Fit Center 2542 is at 8.571601 -3.571376 -1.379303 ESP Fit Center 2543 is at 6.999211 -4.268744 -2.177437 ESP Fit Center 2544 is at 7.820382 -3.557195 -2.177437 ESP Fit Center 2545 is at 6.711170 -3.403237 -2.698381 ESP Fit Center 2546 is at 6.638832 -5.851075 -0.926046 ESP Fit Center 2547 is at 2.584877 -7.033815 -1.905101 ESP Fit Center 2548 is at 2.621106 -6.241174 -2.703235 ESP Fit Center 2549 is at 2.857854 -4.783815 -3.224179 ESP Fit Center 2550 is at 4.598756 -5.680311 3.414689 ESP Fit Center 2551 is at 4.085726 -6.568905 3.414689 ESP Fit Center 2552 is at 5.501058 -5.680311 2.893745 ESP Fit Center 2553 is at 5.194938 -4.637759 2.893745 ESP Fit Center 2554 is at 2.309886 -7.137670 2.893745 ESP Fit Center 2555 is at 3.298261 -7.589046 2.893745 ESP Fit Center 2556 is at 4.373766 -7.434411 2.893745 ESP Fit Center 2557 is at 5.194938 -6.722862 2.893745 ESP Fit Center 2558 is at 6.170772 -5.680311 2.095611 ESP Fit Center 2559 is at 1.031393 -6.220481 2.095611 ESP Fit Center 2560 is at 1.470808 -7.207422 2.095611 ESP Fit Center 2561 is at 2.273657 -7.930311 2.095611 ESP Fit Center 2562 is at 5.311148 -7.611058 2.095611 ESP Fit Center 2563 is at 5.946156 -6.737043 2.095611 ESP Fit Center 2564 is at 0.668577 -6.223184 1.116556 ESP Fit Center 2565 is at 1.060794 -7.235614 1.116556 ESP Fit Center 2566 is at 1.792258 -8.037991 1.116556 ESP Fit Center 2567 is at 6.327613 -6.747571 1.116556 ESP Fit Center 2568 is at 1.060794 -7.235614 0.074667 ESP Fit Center 2569 is at 6.327613 -6.747571 0.074667 ESP Fit Center 2570 is at 1.470808 -7.207422 -0.904389 ESP Fit Center 2571 is at 2.309886 -7.137670 -1.702522 ESP Fit Center 2572 is at 1.106870 -2.635149 -3.967914 ESP Fit Center 2573 is at -0.432220 -1.746554 -3.967914 ESP Fit Center 2574 is at 0.593840 -3.523743 -3.967914 ESP Fit Center 2575 is at 0.080810 -2.635149 -4.148837 ESP Fit Center 2576 is at -0.086196 -3.319998 -4.200457 ESP Fit Center 2577 is at -0.599226 -2.431404 -4.200457 ESP Fit Center 2578 is at -1.112257 -3.319998 -4.381379 ESP Fit Center 2579 is at -1.066868 -2.402804 -4.252227 ESP Fit Center 2580 is at -1.579898 -1.514210 -4.252227 ESP Fit Center 2581 is at -2.605958 -1.514210 -4.252227 ESP Fit Center 2582 is at -2.092928 -2.402804 -4.433149 ESP Fit Center 2583 is at -1.443835 -1.156762 -4.133400 ESP Fit Center 2584 is at -1.271572 -4.831071 1.345043 ESP Fit Center 2585 is at -0.245511 -4.831071 1.164121 ESP Fit Center 2586 is at -0.758541 -5.719666 1.164121 ESP Fit Center 2587 is at -0.470501 -6.585172 0.643176 ESP Fit Center 2588 is at -0.468722 -7.301989 -0.154957 ESP Fit Center 2589 is at -2.080088 -7.672711 -1.134012 ESP Fit Center 2590 is at -0.998972 -7.772892 -1.134012 ESP Fit Center 2591 is at -3.783473 -6.386375 -2.175901 ESP Fit Center 2592 is at -3.052009 -7.188752 -2.175901 ESP Fit Center 2593 is at -2.080088 -7.672711 -2.175901 ESP Fit Center 2594 is at -0.998972 -7.772892 -2.175901 ESP Fit Center 2595 is at -1.543144 -7.414915 -3.154957 ESP Fit Center 2596 is at -0.468722 -7.301989 -3.154957 ESP Fit Center 2597 is at 0.656791 -4.831071 -3.953090 ESP Fit Center 2598 is at -0.470501 -6.585172 -3.953090 ESP Fit Center 2599 is at 0.350671 -5.873623 -3.953090 ESP Fit Center 2600 is at -5.471869 -3.117874 -3.911576 ESP Fit Center 2601 is at -2.595558 -2.574591 -4.432521 ESP Fit Center 2602 is at -3.108588 -1.685997 -4.432521 ESP Fit Center 2603 is at -4.647679 -2.574591 -4.432521 ESP Fit Center 2604 is at -3.621618 -2.574591 -4.613443 ESP Fit Center 2605 is at -4.351420 -2.761146 2.715182 ESP Fit Center 2606 is at -3.838390 -3.649741 2.534260 ESP Fit Center 2607 is at -6.154149 -0.277449 1.230438 ESP Fit Center 2608 is at -6.691092 -5.702932 -0.790507 ESP Fit Center 2609 is at -5.609976 -5.803113 -0.790507 ESP Fit Center 2610 is at -6.154149 -5.445136 -1.769562 ESP Fit Center 2611 is at -6.492607 -3.226062 3.542441 ESP Fit Center 2612 is at -5.421094 -3.226062 3.329303 ESP Fit Center 2613 is at -5.956851 -2.298104 3.329303 ESP Fit Center 2614 is at -7.028364 -2.298104 3.329303 ESP Fit Center 2615 is at -7.564121 -3.226062 3.329303 ESP Fit Center 2616 is at -7.028364 -4.154020 3.329303 ESP Fit Center 2617 is at -5.956851 -4.154020 3.329303 ESP Fit Center 2618 is at -4.512708 -3.226062 2.722339 ESP Fit Center 2619 is at -4.777965 -2.236113 2.722339 ESP Fit Center 2620 is at -5.502658 -1.511419 2.722339 ESP Fit Center 2621 is at -6.492607 -1.246163 2.722339 ESP Fit Center 2622 is at -7.482557 -1.511419 2.722339 ESP Fit Center 2623 is at -8.207250 -2.236113 2.722339 ESP Fit Center 2624 is at -8.472506 -3.226062 2.722339 ESP Fit Center 2625 is at -8.207250 -4.216012 2.722339 ESP Fit Center 2626 is at -7.482557 -4.940705 2.722339 ESP Fit Center 2627 is at -6.492607 -5.205961 2.722339 ESP Fit Center 2628 is at -5.502658 -4.940705 2.722339 ESP Fit Center 2629 is at -4.777965 -4.216012 2.722339 ESP Fit Center 2630 is at -6.763008 -0.653371 1.813954 ESP Fit Center 2631 is at -7.786039 -0.985773 1.813954 ESP Fit Center 2632 is at -8.585423 -1.705542 1.813954 ESP Fit Center 2633 is at -9.022941 -2.688223 1.813954 ESP Fit Center 2634 is at -9.022941 -3.763901 1.813954 ESP Fit Center 2635 is at -8.585423 -4.746582 1.813954 ESP Fit Center 2636 is at -7.786039 -5.466351 1.813954 ESP Fit Center 2637 is at -6.763008 -5.798754 1.813954 ESP Fit Center 2638 is at -5.693223 -5.686315 1.813954 ESP Fit Center 2639 is at -8.179984 -0.991614 0.742441 ESP Fit Center 2640 is at -8.873215 -1.752052 0.742441 ESP Fit Center 2641 is at -9.244932 -2.711563 0.742441 ESP Fit Center 2642 is at -9.244932 -3.740561 0.742441 ESP Fit Center 2643 is at -8.873215 -4.700072 0.742441 ESP Fit Center 2644 is at -8.179984 -5.460510 0.742441 ESP Fit Center 2645 is at -7.258864 -5.919174 0.742441 ESP Fit Center 2646 is at -6.234256 -6.014118 0.742441 ESP Fit Center 2647 is at -5.244540 -5.732519 0.742441 ESP Fit Center 2648 is at -9.022941 -3.763901 -0.329073 ESP Fit Center 2649 is at -8.585423 -4.746582 -0.329073 ESP Fit Center 2650 is at -7.786039 -5.466351 -0.329073 ESP Fit Center 2651 is at -6.763008 -5.798754 -0.329073 ESP Fit Center 2652 is at -7.786103 -0.277961 -0.225730 ESP Fit Center 2653 is at -8.585488 -0.997730 -0.225730 ESP Fit Center 2654 is at -9.023006 -1.980411 -0.225730 ESP Fit Center 2655 is at -8.180049 -0.283802 -1.297243 ESP Fit Center 2656 is at -8.873280 -1.044240 -1.297243 ESP Fit Center 2657 is at -9.244997 -2.003751 -1.297243 ESP Fit Center 2658 is at -9.244997 -3.032748 -1.297243 ESP Fit Center 2659 is at -8.873280 -3.992260 -1.297243 ESP Fit Center 2660 is at -8.180049 -4.752698 -1.297243 ESP Fit Center 2661 is at -5.693288 -0.057997 -2.368757 ESP Fit Center 2662 is at -6.763073 0.054442 -2.368757 ESP Fit Center 2663 is at -7.786103 -0.277961 -2.368757 ESP Fit Center 2664 is at -8.585488 -0.997730 -2.368757 ESP Fit Center 2665 is at -9.023006 -1.980411 -2.368757 ESP Fit Center 2666 is at -9.023006 -3.056089 -2.368757 ESP Fit Center 2667 is at -8.585488 -4.038770 -2.368757 ESP Fit Center 2668 is at -7.786103 -4.758539 -2.368757 ESP Fit Center 2669 is at -6.763073 -5.090941 -2.368757 ESP Fit Center 2670 is at -6.492672 -0.538351 -3.277142 ESP Fit Center 2671 is at -7.482622 -0.803607 -3.277142 ESP Fit Center 2672 is at -8.207315 -1.528300 -3.277142 ESP Fit Center 2673 is at -8.472571 -2.518250 -3.277142 ESP Fit Center 2674 is at -8.207315 -3.508199 -3.277142 ESP Fit Center 2675 is at -7.482622 -4.232893 -3.277142 ESP Fit Center 2676 is at -6.492672 -4.498149 -3.277142 ESP Fit Center 2677 is at -5.956915 -1.590292 -3.884106 ESP Fit Center 2678 is at -7.028429 -1.590292 -3.884106 ESP Fit Center 2679 is at -7.564186 -2.518250 -3.884106 ESP Fit Center 2680 is at -7.028429 -3.446208 -3.884106 ESP Fit Center 2681 is at -5.956915 -3.446208 -3.884106 ESP Fit Center 2682 is at -6.492672 -2.518250 -4.097243 ESP Fit Center 2683 is at 3.169449 2.450357 -3.310977 ESP Fit Center 2684 is at 3.740950 -1.391920 -3.405173 ESP Fit Center 2685 is at 3.831092 1.067354 -3.460607 ESP Fit Center 2686 is at 3.283896 1.951107 -3.460607 ESP Fit Center 2687 is at 2.454401 2.577512 -3.460607 ESP Fit Center 2688 is at 1.454637 2.861969 -3.460607 ESP Fit Center 2689 is at 3.831092 -0.976138 -3.460607 ESP Fit Center 2690 is at 3.193663 0.045608 -4.096281 ESP Fit Center 2691 is at 2.925714 1.045608 -4.096281 ESP Fit Center 2692 is at 2.193663 1.777659 -4.096281 ESP Fit Center 2693 is at 1.193663 2.045608 -4.096281 ESP Fit Center 2694 is at 0.193663 1.777659 -4.096281 ESP Fit Center 2695 is at -0.538388 1.045608 -4.096281 ESP Fit Center 2696 is at -0.806337 0.045608 -4.096281 ESP Fit Center 2697 is at -0.538388 -0.954392 -4.096281 ESP Fit Center 2698 is at 0.193663 -1.686443 -4.096281 ESP Fit Center 2699 is at 1.193663 -1.954392 -4.096281 ESP Fit Center 2700 is at 2.193663 -1.686443 -4.096281 ESP Fit Center 2701 is at 2.925714 -0.954392 -4.096281 ESP Fit Center 2702 is at 2.228939 0.045608 -4.495883 ESP Fit Center 2703 is at 1.711301 0.942183 -4.495883 ESP Fit Center 2704 is at 0.676025 0.942183 -4.495883 ESP Fit Center 2705 is at 0.158387 0.045608 -4.495883 ESP Fit Center 2706 is at 0.676025 -0.850968 -4.495883 ESP Fit Center 2707 is at 1.711301 -0.850968 -4.495883 ESP Fit Center 2708 is at 1.193663 0.045608 -4.632180 ESP Fit Center 2709 is at -3.503999 0.882140 -3.744223 ESP Fit Center 2710 is at -4.024659 -0.019670 -3.744223 ESP Fit Center 2711 is at 7.881487 0.005217 -1.246699 ESP Fit Center 2712 is at 7.418056 0.005217 -2.209024 ESP Fit Center 2713 is at 6.582981 0.005217 -2.874974 ESP Fit Center 2714 is at 2.159984 -5.947904 -2.622835 ESP Fit Center 2715 is at 1.901162 -5.142885 -3.288785 ESP Fit Center 2716 is at -2.406338 7.795519 -1.987488 ESP Fit Center 2717 is at -3.344536 7.343706 -1.987488 ESP Fit Center 2718 is at -3.993789 6.529569 -1.987488 ESP Fit Center 2719 is at -1.106194 7.221185 -2.949813 ESP Fit Center 2720 is at -2.152716 7.371653 -2.949813 ESP Fit Center 2721 is at -3.114455 6.932441 -2.949813 ESP Fit Center 2722 is at -3.686066 6.042998 -2.949813 ESP Fit Center 2723 is at -0.844356 5.514356 -3.615763 ESP Fit Center 2724 is at -1.365017 6.416166 -3.615763 ESP Fit Center 2725 is at -2.406338 6.416166 -3.615763 ESP Fit Center 2726 is at -2.926998 5.514356 -3.615763 ESP Fit Center 2727 is at -2.406338 4.612546 -3.615763 ESP Fit Center 2728 is at -1.365017 4.612546 -3.615763 ESP Fit Center 2729 is at -1.885677 5.514356 -3.853438 ESP Fit Center 2730 is at 0.413944 5.595800 1.745675 ESP Fit Center 2731 is at -0.106716 6.497610 1.745675 ESP Fit Center 2732 is at 0.951148 6.610256 1.079725 ESP Fit Center 2733 is at 0.152106 7.302629 1.079725 ESP Fit Center 2734 is at 0.831482 7.425150 0.117400 ESP Fit Center 2735 is at -0.106716 7.876963 0.117400 ESP Fit Center 2736 is at 0.831482 7.425150 -0.950701 ESP Fit Center 2737 is at -0.106716 7.876963 -0.950701 ESP Fit Center 2738 is at 0.951148 6.610256 -1.913026 ESP Fit Center 2739 is at 0.152106 7.302629 -1.913026 ESP Fit Center 2740 is at -2.141268 5.368720 2.552717 ESP Fit Center 2741 is at -1.620607 6.270530 2.315043 ESP Fit Center 2742 is at -2.661928 6.270530 2.315043 ESP Fit Center 2743 is at -3.182588 5.368720 2.315043 ESP Fit Center 2744 is at -2.661928 4.466910 2.315043 ESP Fit Center 2745 is at -2.408306 7.226017 1.649093 ESP Fit Center 2746 is at -3.370045 6.786805 1.649093 ESP Fit Center 2747 is at -3.941656 5.897362 1.649093 ESP Fit Center 2748 is at -2.661928 7.649883 0.686768 ESP Fit Center 2749 is at -3.600126 7.198070 0.686768 ESP Fit Center 2750 is at -4.249379 6.383933 0.686768 ESP Fit Center 2751 is at -4.249379 6.383933 -0.381333 ESP Fit Center 2752 is at -5.334138 0.687280 -3.240233 ESP Fit Center 2753 is at -5.146681 2.105365 -3.906183 ESP Fit Center 2754 is at -4.626021 1.203554 -3.906183 ESP Fit Center 2755 is at -3.584700 1.203554 -3.906183 ESP Fit Center 2756 is at -4.105360 2.105365 -4.143858 ESP Fit Center 2757 is at -4.424100 5.998327 -1.049557 ESP Fit Center 2758 is at -4.424100 5.998327 -2.117657 ESP Fit Center 2759 is at -5.362298 5.546514 -2.117657 ESP Fit Center 2760 is at -4.170479 5.574460 -3.079982 ESP Fit Center 2761 is at -5.132217 5.135249 -3.079982 ESP Fit Center 2762 is at -5.703828 4.245806 -3.079982 ESP Fit Center 2763 is at -3.382779 4.618974 -3.745932 ESP Fit Center 2764 is at -4.424100 4.618974 -3.745932 ESP Fit Center 2765 is at -4.189742 3.485049 3.139435 ESP Fit Center 2766 is at -3.669081 4.386860 2.901761 ESP Fit Center 2767 is at -4.710402 4.386860 2.901761 ESP Fit Center 2768 is at -3.410259 5.191879 2.235811 ESP Fit Center 2769 is at -4.456781 5.342346 2.235811 ESP Fit Center 2770 is at -5.718782 0.476911 2.012172 ESP Fit Center 2771 is at -5.948862 0.065645 1.049847 ESP Fit Center 2772 is at 3.856931 7.833487 -1.445105 ESP Fit Center 2773 is at 2.815610 7.833487 -1.445105 ESP Fit Center 2774 is at 1.877412 7.381675 -1.445105 ESP Fit Center 2775 is at 4.115754 7.259154 -2.407430 ESP Fit Center 2776 is at 3.069232 7.409621 -2.407430 ESP Fit Center 2777 is at 2.107493 6.970410 -2.407430 ESP Fit Center 2778 is at 1.535882 6.080966 -2.407430 ESP Fit Center 2779 is at 4.377592 5.552324 -3.073380 ESP Fit Center 2780 is at 3.856931 6.454135 -3.073380 ESP Fit Center 2781 is at 2.815610 6.454135 -3.073380 ESP Fit Center 2782 is at 2.294950 5.552324 -3.073380 ESP Fit Center 2783 is at 2.815610 4.650514 -3.073380 ESP Fit Center 2784 is at 3.856931 4.650514 -3.073380 ESP Fit Center 2785 is at 3.336271 5.552324 -3.311055 ESP Fit Center 2786 is at 5.490410 7.110666 1.453687 ESP Fit Center 2787 is at 6.169786 7.233187 0.491362 ESP Fit Center 2788 is at 5.231588 7.684999 0.491362 ESP Fit Center 2789 is at 6.169786 7.233187 -0.576739 ESP Fit Center 2790 is at 6.289452 6.418292 -1.539064 ESP Fit Center 2791 is at 5.490410 7.110666 -1.539064 ESP Fit Center 2792 is at 3.263055 5.406103 3.112741 ESP Fit Center 2793 is at 4.304376 5.406103 2.875066 ESP Fit Center 2794 is at 3.783716 6.307913 2.875066 ESP Fit Center 2795 is at 2.742395 6.307913 2.875066 ESP Fit Center 2796 is at 2.221734 5.406103 2.875066 ESP Fit Center 2797 is at 2.742395 4.504292 2.875066 ESP Fit Center 2798 is at 3.783716 4.504292 2.875066 ESP Fit Center 2799 is at 4.042538 7.112932 2.209117 ESP Fit Center 2800 is at 2.996016 7.263399 2.209117 ESP Fit Center 2801 is at 2.034277 6.824188 2.209117 ESP Fit Center 2802 is at 1.462667 5.934744 2.209117 ESP Fit Center 2803 is at 1.462667 4.877461 2.209117 ESP Fit Center 2804 is at 2.742395 7.687265 1.246791 ESP Fit Center 2805 is at 1.804197 7.235453 1.246791 ESP Fit Center 2806 is at 1.154944 6.421316 1.246791 ESP Fit Center 2807 is at 7.458072 0.201606 1.086540 ESP Fit Center 2808 is at 8.257114 0.893980 1.086540 ESP Fit Center 2809 is at 8.137448 0.079085 0.124215 ESP Fit Center 2810 is at 8.786701 0.893223 0.124215 ESP Fit Center 2811 is at 8.137448 0.079085 -0.943886 ESP Fit Center 2812 is at 8.786701 0.893223 -0.943886 ESP Fit Center 2813 is at 8.554985 1.908436 -1.906211 ESP Fit Center 2814 is at 8.257114 0.893980 -1.906211 ESP Fit Center 2815 is at 7.199250 1.006625 -2.572161 ESP Fit Center 2816 is at 5.976090 5.668458 2.361474 ESP Fit Center 2817 is at 7.276233 6.473477 1.695524 ESP Fit Center 2818 is at 6.229712 6.623945 1.695524 ESP Fit Center 2819 is at 7.017411 7.047811 0.733199 ESP Fit Center 2820 is at 7.017411 7.047811 -0.334901 ESP Fit Center 2821 is at 9.802396 3.801720 1.534759 ESP Fit Center 2822 is at 9.504525 4.816176 1.534759 ESP Fit Center 2823 is at 9.504525 2.787264 1.534759 ESP Fit Center 2824 is at 10.265828 3.801720 0.572434 ESP Fit Center 2825 is at 10.034112 4.816933 0.572434 ESP Fit Center 2826 is at 9.384859 5.631071 0.572434 ESP Fit Center 2827 is at 9.384859 1.972370 0.572434 ESP Fit Center 2828 is at 10.034112 2.786507 0.572434 ESP Fit Center 2829 is at 10.265828 3.801720 -0.495667 ESP Fit Center 2830 is at 10.034112 4.816933 -0.495667 ESP Fit Center 2831 is at 9.384859 5.631071 -0.495667 ESP Fit Center 2832 is at 9.384859 1.972370 -0.495667 ESP Fit Center 2833 is at 10.034112 2.786507 -0.495667 ESP Fit Center 2834 is at 9.802396 3.801720 -1.457992 ESP Fit Center 2835 is at 9.504525 4.816176 -1.457992 ESP Fit Center 2836 is at 9.504525 2.787264 -1.457992 ESP Fit Center 2837 is at 8.838867 -1.047380 -0.060460 ESP Fit Center 2838 is at 8.189614 -0.233242 -0.060460 ESP Fit Center 2839 is at 9.070583 -2.062593 -1.128560 ESP Fit Center 2840 is at 8.838867 -1.047380 -1.128560 ESP Fit Center 2841 is at 8.189614 -0.233242 -1.128560 ESP Fit Center 2842 is at 8.607151 -2.062593 -2.090885 ESP Fit Center 2843 is at 8.309280 -1.048137 -2.090885 ESP Fit Center 2844 is at 7.510239 -0.355763 -2.090885 ESP Fit Center 2845 is at 8.309280 -3.077049 -2.090885 ESP Fit Center 2846 is at 7.772077 -2.062593 -2.756835 ESP Fit Center 2847 is at 7.251416 -1.160782 -2.756835 ESP Fit Center 2848 is at 6.210095 -1.160782 -2.756835 ESP Fit Center 2849 is at 7.251416 -2.964403 -2.756835 ESP Fit Center 2850 is at 6.730756 -2.062593 -2.994510 ESP Fit Center 2851 is at 7.223952 -5.189604 1.653049 ESP Fit Center 2852 is at 8.022994 -4.497230 1.653049 ESP Fit Center 2853 is at 6.965130 -5.763937 0.690724 ESP Fit Center 2854 is at 7.903328 -5.312125 0.690724 ESP Fit Center 2855 is at 8.552581 -4.497987 0.690724 ESP Fit Center 2856 is at 6.965130 -5.763937 -0.377376 ESP Fit Center 2857 is at 7.903328 -5.312125 -0.377376 ESP Fit Center 2858 is at 8.552581 -4.497987 -0.377376 ESP Fit Center 2859 is at 7.223952 -5.189604 -1.339702 ESP Fit Center 2860 is at 8.022994 -4.497230 -1.339702 ESP Fit Center 2861 is at 6.395193 -2.088089 3.402767 ESP Fit Center 2862 is at 7.436514 -2.088089 3.165092 ESP Fit Center 2863 is at 6.915853 -1.186279 3.165092 ESP Fit Center 2864 is at 5.874532 -1.186279 3.165092 ESP Fit Center 2865 is at 5.353872 -2.088089 3.165092 ESP Fit Center 2866 is at 5.874532 -2.989899 3.165092 ESP Fit Center 2867 is at 6.915853 -2.989899 3.165092 ESP Fit Center 2868 is at 8.271588 -2.088089 2.499143 ESP Fit Center 2869 is at 7.973717 -1.073633 2.499143 ESP Fit Center 2870 is at 7.174676 -0.381260 2.499143 ESP Fit Center 2871 is at 6.128154 -0.230793 2.499143 ESP Fit Center 2872 is at 5.166415 -0.670004 2.499143 ESP Fit Center 2873 is at 7.973717 -3.102545 2.499143 ESP Fit Center 2874 is at 8.503304 -1.072876 1.536817 ESP Fit Center 2875 is at 7.854051 -0.258739 1.536817 ESP Fit Center 2876 is at 6.915853 0.193074 1.536817 ESP Fit Center 2877 is at 6.579646 -5.250369 -1.749500 ESP Fit Center 2878 is at 4.760480 -7.531532 -1.749500 ESP Fit Center 2879 is at 5.698678 -7.079720 -1.749500 ESP Fit Center 2880 is at 6.347931 -6.265582 -1.749500 ESP Fit Center 2881 is at 6.116215 -5.250369 -2.711825 ESP Fit Center 2882 is at 5.818344 -4.235913 -2.711825 ESP Fit Center 2883 is at 3.011041 -6.668454 -2.711825 ESP Fit Center 2884 is at 3.972780 -7.107666 -2.711825 ESP Fit Center 2885 is at 5.019302 -6.957199 -2.711825 ESP Fit Center 2886 is at 5.818344 -6.264825 -2.711825 ESP Fit Center 2887 is at 5.281140 -5.250369 -3.377775 ESP Fit Center 2888 is at 4.760480 -4.348559 -3.377775 ESP Fit Center 2889 is at 3.719159 -4.348559 -3.377775 ESP Fit Center 2890 is at 3.198498 -5.250369 -3.377775 ESP Fit Center 2891 is at 3.719159 -6.152180 -3.377775 ESP Fit Center 2892 is at 4.760480 -6.152180 -3.377775 ESP Fit Center 2893 is at 4.239819 -5.250369 -3.615450 ESP Fit Center 2894 is at 3.205272 -5.350859 3.865852 ESP Fit Center 2895 is at 4.246593 -5.350859 3.628177 ESP Fit Center 2896 is at 3.725932 -4.449049 3.628177 ESP Fit Center 2897 is at 2.684611 -4.449049 3.628177 ESP Fit Center 2898 is at 2.163951 -5.350859 3.628177 ESP Fit Center 2899 is at 2.684611 -6.252670 3.628177 ESP Fit Center 2900 is at 3.725932 -6.252670 3.628177 ESP Fit Center 2901 is at 3.984755 -3.644030 2.962227 ESP Fit Center 2902 is at 2.938233 -3.493563 2.962227 ESP Fit Center 2903 is at 1.976494 -3.932774 2.962227 ESP Fit Center 2904 is at 1.404883 -4.822218 2.962227 ESP Fit Center 2905 is at 1.404883 -5.879501 2.962227 ESP Fit Center 2906 is at 1.976494 -6.768944 2.962227 ESP Fit Center 2907 is at 1.097160 -4.335646 1.999902 ESP Fit Center 2908 is at 0.865445 -5.350859 1.999902 ESP Fit Center 2909 is at 3.446765 -8.517082 1.947534 ESP Fit Center 2910 is at 4.493287 -8.366614 1.947534 ESP Fit Center 2911 is at 2.254945 -8.489135 0.985209 ESP Fit Center 2912 is at 3.193143 -8.940948 0.985209 ESP Fit Center 2913 is at 4.234464 -8.940948 0.985209 ESP Fit Center 2914 is at 5.172662 -8.489135 0.985209 ESP Fit Center 2915 is at 5.821915 -7.674998 0.985209 ESP Fit Center 2916 is at 2.254945 -8.489135 -0.082891 ESP Fit Center 2917 is at 3.193143 -8.940948 -0.082891 ESP Fit Center 2918 is at 4.234464 -8.940948 -0.082891 ESP Fit Center 2919 is at 5.172662 -8.489135 -0.082891 ESP Fit Center 2920 is at 5.821915 -7.674998 -0.082891 ESP Fit Center 2921 is at 2.485026 -8.077870 -1.045217 ESP Fit Center 2922 is at 3.446765 -8.517082 -1.045217 ESP Fit Center 2923 is at 4.493287 -8.366614 -1.045217 ESP Fit Center 2924 is at 5.292328 -7.674241 -1.045217 ESP Fit Center 2925 is at 3.193143 -7.561595 -1.711166 ESP Fit Center 2926 is at -1.925295 -5.220356 1.394020 ESP Fit Center 2927 is at -2.445955 -6.122166 1.156345 ESP Fit Center 2928 is at -1.404634 -6.122166 1.156345 ESP Fit Center 2929 is at -3.154073 -6.638441 0.490395 ESP Fit Center 2930 is at -2.192334 -7.077652 0.490395 ESP Fit Center 2931 is at -1.145812 -6.927185 0.490395 ESP Fit Center 2932 is at -4.033406 -6.235568 -0.471930 ESP Fit Center 2933 is at -3.384153 -7.049706 -0.471930 ESP Fit Center 2934 is at -2.445955 -7.501518 -0.471930 ESP Fit Center 2935 is at -4.033406 -6.235568 -1.540031 ESP Fit Center 2936 is at -3.384153 -7.049706 -1.540031 ESP Fit Center 2937 is at 0.392569 -6.991278 -0.051700 ESP Fit Center 2938 is at 0.133746 -7.565611 -1.014025 ESP Fit Center 2939 is at 1.071944 -7.113799 -1.014025 ESP Fit Center 2940 is at 0.133746 -7.565611 -2.082125 ESP Fit Center 2941 is at 1.071944 -7.113799 -2.082125 ESP Fit Center 2942 is at 0.392569 -6.991278 -3.044451 ESP Fit Center 2943 is at 1.191610 -6.298904 -3.044451 ESP Fit Center 2944 is at -3.713904 -5.983132 -3.121208 ESP Fit Center 2945 is at -3.064651 -6.797269 -3.121208 ESP Fit Center 2946 is at -3.406181 -5.496561 -4.083534 ESP Fit Center 2947 is at -2.834570 -6.386004 -4.083534 ESP Fit Center 2948 is at -1.872832 -6.825216 -4.083534 ESP Fit Center 2949 is at -0.826310 -6.674748 -4.083534 ESP Fit Center 2950 is at -0.564472 -4.967919 -4.749483 ESP Fit Center 2951 is at -1.085132 -4.066109 -4.749483 ESP Fit Center 2952 is at -2.126453 -4.066109 -4.749483 ESP Fit Center 2953 is at -2.647114 -4.967919 -4.749483 ESP Fit Center 2954 is at -2.126453 -5.869729 -4.749483 ESP Fit Center 2955 is at -1.085132 -5.869729 -4.749483 ESP Fit Center 2956 is at -1.605793 -4.967919 -4.987158 ESP Fit Center 2957 is at -4.323099 -5.660489 -1.644354 ESP Fit Center 2958 is at -5.261297 -5.208677 -2.712455 ESP Fit Center 2959 is at -4.323099 -5.660489 -2.712455 ESP Fit Center 2960 is at -5.602827 -3.907968 -3.674780 ESP Fit Center 2961 is at -5.031216 -4.797411 -3.674780 ESP Fit Center 2962 is at -4.069478 -5.236623 -3.674780 ESP Fit Center 2963 is at -4.843760 -3.379326 -4.340730 ESP Fit Center 2964 is at -4.323099 -4.281137 -4.340730 ESP Fit Center 2965 is at -3.281778 -4.281137 -4.340730 ESP Fit Center 2966 is at -3.802439 -3.379326 -4.578405 ESP Fit Center 2967 is at -5.457655 0.066296 -2.593557 ESP Fit Center 2968 is at -5.227575 -0.344969 -3.555882 ESP Fit Center 2969 is at -3.478136 -0.861244 -4.221832 ESP Fit Center 2970 is at -4.519457 -0.861244 -4.221832 ESP Fit Center 2971 is at -5.040118 -1.763054 -4.221832 ESP Fit Center 2972 is at -4.138603 -1.996757 2.723623 ESP Fit Center 2973 is at -4.659264 -1.094947 2.485948 ESP Fit Center 2974 is at -5.367381 -0.578672 1.819999 ESP Fit Center 2975 is at -3.535985 -4.518526 2.303081 ESP Fit Center 2976 is at -4.323684 -5.474012 1.637132 ESP Fit Center 2977 is at -3.277163 -5.323545 1.637132 ESP Fit Center 2978 is at -2.478121 -4.631172 1.637132 ESP Fit Center 2979 is at -4.577306 -5.897878 0.674806 ESP Fit Center 2980 is at -3.535985 -5.897878 0.674806 ESP Fit Center 2981 is at -4.577306 -5.897878 -0.393294 ESP Fit Center 2982 is at -1.789302 1.705141 6.206783 ESP Fit Center 2983 is at -0.680090 1.859098 5.685838 ESP Fit Center 2984 is at -1.501261 2.570647 5.685838 ESP Fit Center 2985 is at -2.576767 2.725281 5.685838 ESP Fit Center 2986 is at -3.565141 2.273906 5.685838 ESP Fit Center 2987 is at -1.499482 3.287464 4.887705 ESP Fit Center 2988 is at -2.573905 3.400390 4.887705 ESP Fit Center 2989 is at -3.601370 3.066547 4.887705 ESP Fit Center 2990 is at -4.404220 2.343657 4.887705 ESP Fit Center 2991 is at -4.843634 1.356717 4.887705 ESP Fit Center 2992 is at -0.985432 3.461238 3.908649 ESP Fit Center 2993 is at -4.814233 2.371850 3.908649 ESP Fit Center 2994 is at -5.206451 1.359420 3.908649 ESP Fit Center 2995 is at -5.206451 0.273673 3.908649 ESP Fit Center 2996 is at -4.814233 -0.738757 3.908649 ESP Fit Center 2997 is at -4.082770 -1.541134 3.908649 ESP Fit Center 2998 is at -5.206451 1.359420 2.866760 ESP Fit Center 2999 is at -5.206451 0.273673 2.866760 ESP Fit Center 3000 is at -4.814233 -0.738757 2.866760 ESP Fit Center 3001 is at -4.082770 -1.541134 2.866760 ESP Fit Center 3002 is at -2.631537 0.502995 6.689194 ESP Fit Center 3003 is at -2.110877 1.404805 6.451519 ESP Fit Center 3004 is at -3.152198 1.404805 6.451519 ESP Fit Center 3005 is at -3.672858 0.502995 6.451519 ESP Fit Center 3006 is at -3.152198 -0.398815 6.451519 ESP Fit Center 3007 is at -3.860315 1.921080 5.785569 ESP Fit Center 3008 is at -4.431926 1.031637 5.785569 ESP Fit Center 3009 is at -4.431926 -0.025647 5.785569 ESP Fit Center 3010 is at -3.860315 -0.915090 5.785569 ESP Fit Center 3011 is at -4.971364 0.502995 4.823244 ESP Fit Center 3012 is at -4.739649 -0.512218 4.823244 ESP Fit Center 3013 is at -4.090396 -1.326355 4.823244 ESP Fit Center 3014 is at 1.283148 3.449346 2.964803 ESP Fit Center 3015 is at 0.238848 3.746475 2.964803 ESP Fit Center 3016 is at -0.842268 3.646295 2.964803 ESP Fit Center 3017 is at -0.715853 3.901633 2.273324 ESP Fit Center 3018 is at 1.412578 1.203738 5.536777 ESP Fit Center 3019 is at 0.891918 2.105548 5.536777 ESP Fit Center 3020 is at -0.149403 2.105548 5.536777 ESP Fit Center 3021 is at 2.247653 1.203738 4.870828 ESP Fit Center 3022 is at 1.949782 2.218194 4.870828 ESP Fit Center 3023 is at 1.150740 2.910567 4.870828 ESP Fit Center 3024 is at 0.104219 3.061034 4.870828 ESP Fit Center 3025 is at 1.830116 3.033088 3.908502 ESP Fit Center 3026 is at 0.891918 3.484900 3.908502 ESP Fit Center 3027 is at -0.149403 3.484900 3.908502 ESP Fit Center 3028 is at 2.355090 -0.226184 5.057348 ESP Fit Center 3029 is at 3.330779 -0.226184 4.560210 ESP Fit Center 3030 is at 3.055160 0.802440 4.560210 ESP Fit Center 3031 is at 2.302155 -2.007814 4.560210 ESP Fit Center 3032 is at 3.055160 -1.254808 4.560210 ESP Fit Center 3033 is at 4.105090 -0.226184 3.785899 ESP Fit Center 3034 is at 3.889551 0.857407 3.785899 ESP Fit Center 3035 is at 3.275746 1.776031 3.785899 ESP Fit Center 3036 is at 2.357122 -2.842204 3.785899 ESP Fit Center 3037 is at 3.275746 -2.228399 3.785899 ESP Fit Center 3038 is at 3.889551 -1.309775 3.785899 ESP Fit Center 3039 is at 4.602229 -0.226184 2.810210 ESP Fit Center 3040 is at 4.421871 0.854642 2.810210 ESP Fit Center 3041 is at 3.900341 1.818344 2.810210 ESP Fit Center 3042 is at 3.094156 2.560490 2.810210 ESP Fit Center 3043 is at 2.090678 3.000656 2.810210 ESP Fit Center 3044 is at 2.090678 -3.453025 2.810210 ESP Fit Center 3045 is at 3.094156 -3.012858 2.810210 ESP Fit Center 3046 is at 3.900341 -2.270713 2.810210 ESP Fit Center 3047 is at 4.421871 -1.307011 2.810210 ESP Fit Center 3048 is at -3.529060 -1.780860 5.045649 ESP Fit Center 3049 is at -3.891877 -1.783564 4.066593 ESP Fit Center 3050 is at -0.510949 -1.096032 7.418326 ESP Fit Center 3051 is at 0.560565 -1.096032 7.205189 ESP Fit Center 3052 is at 0.024808 -0.168074 7.205189 ESP Fit Center 3053 is at -1.046706 -0.168074 7.205189 ESP Fit Center 3054 is at -1.582463 -1.096032 7.205189 ESP Fit Center 3055 is at -1.046706 -2.023990 7.205189 ESP Fit Center 3056 is at 0.024808 -2.023990 7.205189 ESP Fit Center 3057 is at 1.468950 -1.096032 6.598225 ESP Fit Center 3058 is at 1.203694 -0.106082 6.598225 ESP Fit Center 3059 is at 0.479001 0.618611 6.598225 ESP Fit Center 3060 is at -0.510949 0.883867 6.598225 ESP Fit Center 3061 is at -1.500898 0.618611 6.598225 ESP Fit Center 3062 is at -2.225592 -0.106082 6.598225 ESP Fit Center 3063 is at -2.490848 -1.096032 6.598225 ESP Fit Center 3064 is at -2.225592 -2.085981 6.598225 ESP Fit Center 3065 is at -1.500898 -2.810674 6.598225 ESP Fit Center 3066 is at -0.510949 -3.075931 6.598225 ESP Fit Center 3067 is at 0.479001 -2.810674 6.598225 ESP Fit Center 3068 is at 1.203694 -2.085981 6.598225 ESP Fit Center 3069 is at 2.075914 -1.096032 5.689840 ESP Fit Center 3070 is at 1.852268 -0.043860 5.689840 ESP Fit Center 3071 is at 1.220000 0.826382 5.689840 ESP Fit Center 3072 is at -2.603765 -2.616551 5.689840 ESP Fit Center 3073 is at -1.804380 -3.336320 5.689840 ESP Fit Center 3074 is at -0.781350 -3.668723 5.689840 ESP Fit Center 3075 is at 0.288436 -3.556284 5.689840 ESP Fit Center 3076 is at 1.220000 -3.018445 5.689840 ESP Fit Center 3077 is at 1.852268 -2.148203 5.689840 ESP Fit Center 3078 is at 1.558276 -2.982379 4.618326 ESP Fit Center 3079 is at 2.099973 -2.107508 4.618326 ESP Fit Center 3080 is at -2.891068 -3.365566 5.092194 ESP Fit Center 3081 is at -2.166375 -4.090259 5.092194 ESP Fit Center 3082 is at -1.176425 -4.355515 5.092194 ESP Fit Center 3083 is at -0.186476 -4.090259 5.092194 ESP Fit Center 3084 is at -3.706759 -2.913455 4.183809 ESP Fit Center 3085 is at -3.269241 -3.896136 4.183809 ESP Fit Center 3086 is at -2.469857 -4.615905 4.183809 ESP Fit Center 3087 is at -1.446826 -4.948308 4.183809 ESP Fit Center 3088 is at -0.377041 -4.835869 4.183809 ESP Fit Center 3089 is at 0.554524 -4.298030 4.183809 ESP Fit Center 3090 is at 1.186791 -3.427788 4.183809 ESP Fit Center 3091 is at -3.928750 -1.861118 3.112295 ESP Fit Center 3092 is at -3.928750 -2.890115 3.112295 ESP Fit Center 3093 is at -3.557033 -3.849627 3.112295 ESP Fit Center 3094 is at -2.863802 -4.610065 3.112295 ESP Fit Center 3095 is at -1.942682 -5.068728 3.112295 ESP Fit Center 3096 is at -0.918074 -5.163672 3.112295 ESP Fit Center 3097 is at 0.071642 -4.882074 3.112295 ESP Fit Center 3098 is at 0.892800 -4.261964 3.112295 ESP Fit Center 3099 is at -2.469857 -4.615905 2.040782 ESP Fit Center 3100 is at -1.446826 -4.948308 2.040782 ESP Fit Center 3101 is at -0.377041 -4.835869 2.040782 ESP Fit Center 3102 is at 0.554524 -4.298030 2.040782 ESP Fit Center 3103 is at -2.108347 3.948018 3.510061 ESP Fit Center 3104 is at -3.149668 3.948018 3.510061 ESP Fit Center 3105 is at -4.087866 3.496206 3.510061 ESP Fit Center 3106 is at -4.737119 2.682068 3.510061 ESP Fit Center 3107 is at -2.108347 3.948018 2.441960 Entering OneElI... OneElI was handed 6085185 working-precision words. Calculate electrostatic properties NBasis = 544 MinDer = 0 MaxDer = 0 NGrid = 3107 NMatD = 1 Requested accuracy = 0.1000D-05 PrsmSu: NPrtUS= 1 ThrOK=F PRISM was handed 5231685 working-precision words and 6213 shell-pairs 3022 points will be used for fitting atomic charges Fitting point charges to eletrostatic potential Charges from ESP fit, RMS= 0.00150 RRMS= 0.02544: Charge= 0.00000 Dipole= 48.8816 3.4830 -10.7647 Tot= 50.1739 1 1 C -0.818535 2 C -0.438899 3 C -0.522318 4 C -0.361195 5 C 0.753523 6 C -0.213312 7 C -0.127176 8 C 0.617284 9 C -0.284348 10 C 0.215572 11 C -0.243699 12 C 1.070329 13 O -0.829460 14 O -0.785918 15 C 0.327105 16 C 0.041487 17 C -0.096019 18 C 0.703549 19 C -0.193490 20 C -0.264271 21 C -0.357729 22 C 0.476581 23 C 0.013673 24 C -0.116988 25 C 0.677993 26 C -0.220194 27 C -0.157053 28 C -0.311561 29 C 0.284721 30 C 0.150598 31 C -0.330014 32 C 0.778186 33 C -0.306473 34 C 0.042937 35 C -0.450407 36 C 1.158349 37 O -0.757608 38 O -0.761771 39 N -0.871241 40 N -0.704360 41 N -0.856301 42 N -0.672729 43 Fe 1.224653 44 H 0.435105 45 H 0.235830 46 H 0.209569 47 H 0.152002 48 H 0.140683 49 H 0.080306 50 H 0.156144 51 H -0.065691 52 H 0.039914 53 H 0.019395 54 H 0.061336 55 H 0.087487 56 H 0.104661 57 H 0.096106 58 H 0.196818 59 H 0.210157 60 H 0.213255 61 H 0.091589 62 H 0.117767 63 H 0.102469 64 H 0.143731 65 H 0.197946 66 H 0.184287 67 H 0.167791 68 H 0.090639 69 H 0.123720 70 H 0.090449 71 H 0.024503 72 H 0.108412 73 H 0.103973 74 N -1.136651 75 H 0.481321 76 C -0.017787 77 H 0.145573 78 C -0.059795 79 H 0.111741 80 H 0.150943 81 S -0.276366 82 C 1.229893 83 O -0.766873 84 O -0.742469 85 H 0.476647 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.646129 2 Atom -14.624220 3 Atom -14.627154 4 Atom -14.650786 5 Atom -14.589112 6 Atom -14.636575 7 Atom -14.649680 8 Atom -14.574228 9 Atom -14.710289 10 Atom -14.739971 11 Atom -14.791641 12 Atom -14.706275 13 Atom -22.473230 14 Atom -22.468851 15 Atom -14.579177 16 Atom -14.612605 17 Atom -14.619820 18 Atom -14.561062 19 Atom -14.686175 20 Atom -14.639480 21 Atom -14.660115 22 Atom -14.586857 23 Atom -14.617088 24 Atom -14.634819 25 Atom -14.576449 26 Atom -14.692285 27 Atom -14.674558 28 Atom -14.683914 29 Atom -14.598326 30 Atom -14.657614 31 Atom -14.666184 32 Atom -14.583542 33 Atom -14.721666 34 Atom -14.734683 35 Atom -14.781182 36 Atom -14.677512 37 Atom -22.429065 38 Atom -22.431473 39 Atom -18.271230 40 Atom -18.255229 41 Atom -18.275101 42 Atom -18.276588 43 Atom -115.623212 44 Atom -1.023666 45 Atom -0.999147 46 Atom -0.998767 47 Atom -1.019472 48 Atom -1.066330 49 Atom -1.057904 50 Atom -1.067969 51 Atom -1.106701 52 Atom -1.104585 53 Atom -1.146428 54 Atom -1.137066 55 Atom -1.031139 56 Atom -1.035734 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