Entering Gaussian System, Link 0=/mirror/g03/g03/g03 Input=retry_sub.com Output=retry_sub.log Initial command: /mirror/g03/g03/l1.exe /scr/dkchaks1/Gau-830.inp -scrdir=/scr/dkchaks1/ Entering Link 1 = /mirror/g03/g03/l1.exe PID= 831. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004, 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 C.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, 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: IA32L-G03RevC.01 3-Apr-2004 4-Oct-2006 ****************************************** -------------------------------- #N MP2/6-31G* Pop=mk iop(6/33=2) -------------------------------- 1/38=1/1; 2/17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=9,16=1,25=1,30=1/1,2,3; 4//1; 5/5=2,38=5/2; 8/10=2/1; 9/16=-3/6; 6/7=2,8=2,9=2,10=2,15=8,20=1,33=2/1,2; 99/5=1,9=1/99; ----------------- # start structure ----------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 2.50972 -1.36397 -0.65869 C 4.02497 -1.36302 -0.37816 C 4.58708 0.0475 -0.36523 O 5.59035 0.36991 -0.97021 C 3.79229 1.03245 0.4862 C 2.29002 0.94508 0.26807 C 1.58361 2.06306 0.06247 C 0.09386 2.11761 -0.11705 C -0.60332 0.81049 0.28777 C 0.19558 -0.40601 -0.26334 C 1.66606 -0.45585 0.28699 C -0.56187 -1.75054 -0.09985 C -2.02661 -1.72037 -0.58439 C -2.77681 -0.56032 0.07639 C -2.03735 0.75625 -0.25066 C -3.0541 1.86531 0.09346 C -4.3882 1.27298 -0.41872 C -4.17617 -0.25393 -0.47137 O -4.98139 -1.06344 -0.87759 C -2.98202 -0.81277 1.59372 H -0.62354 0.76395 1.38611 H 0.28764 -0.22419 -1.3467 H -0.55211 -2.055 0.95215 H -0.02943 -2.539 -0.64428 H -2.51431 -2.67857 -0.36922 H -2.05901 -1.59301 -1.6751 H -1.9426 0.7713 -1.35156 H -2.81248 2.8203 -0.38307 H -3.09054 2.04519 1.17464 H -5.26131 1.51603 0.19651 H -4.62119 1.61234 -1.43585 H -3.53438 -0.0021 2.081 H -2.03234 -0.9244 2.12391 H -3.55948 -1.7334 1.7311 H 2.1436 -2.39528 -0.60453 H 2.35072 -1.02828 -1.69223 H 4.22569 -1.81606 0.60378 H 4.5671 -1.95073 -1.12496 H 4.16545 2.04231 0.29528 H 2.11176 3.01605 0.02529 H -0.13941 2.35086 -1.16985 H -0.31387 2.95758 0.46237 H 4.03255 0.79351 1.53586 C 1.71791 -1.01341 1.73333 H 2.71465 -0.90977 2.17288 H 1.02377 -0.47668 2.38858 H 1.46338 -2.07801 1.76466 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.509724 -1.363968 -0.658692 2 6 0 4.024972 -1.363024 -0.378158 3 6 0 4.587078 0.047501 -0.365228 4 8 0 5.590346 0.369906 -0.970210 5 6 0 3.792293 1.032448 0.486198 6 6 0 2.290021 0.945084 0.268073 7 6 0 1.583613 2.063065 0.062467 8 6 0 0.093863 2.117607 -0.117049 9 6 0 -0.603318 0.810488 0.287766 10 6 0 0.195581 -0.406010 -0.263341 11 6 0 1.666056 -0.455847 0.286990 12 6 0 -0.561870 -1.750536 -0.099849 13 6 0 -2.026612 -1.720370 -0.584394 14 6 0 -2.776805 -0.560318 0.076394 15 6 0 -2.037355 0.756250 -0.250655 16 6 0 -3.054097 1.865314 0.093459 17 6 0 -4.388196 1.272976 -0.418721 18 6 0 -4.176168 -0.253931 -0.471369 19 8 0 -4.981394 -1.063435 -0.877586 20 6 0 -2.982017 -0.812765 1.593715 21 1 0 -0.623536 0.763950 1.386106 22 1 0 0.287644 -0.224194 -1.346698 23 1 0 -0.552106 -2.055001 0.952151 24 1 0 -0.029426 -2.539002 -0.644284 25 1 0 -2.514313 -2.678566 -0.369220 26 1 0 -2.059009 -1.593011 -1.675100 27 1 0 -1.942597 0.771298 -1.351559 28 1 0 -2.812481 2.820301 -0.383067 29 1 0 -3.090535 2.045186 1.174635 30 1 0 -5.261314 1.516031 0.196509 31 1 0 -4.621191 1.612343 -1.435846 32 1 0 -3.534383 -0.002103 2.080995 33 1 0 -2.032336 -0.924399 2.123907 34 1 0 -3.559484 -1.733399 1.731096 35 1 0 2.143600 -2.395282 -0.604529 36 1 0 2.350722 -1.028281 -1.692227 37 1 0 4.225694 -1.816062 0.603781 38 1 0 4.567095 -1.950725 -1.124962 39 1 0 4.165454 2.042311 0.295279 40 1 0 2.111761 3.016051 0.025289 41 1 0 -0.139412 2.350859 -1.169849 42 1 0 -0.313867 2.957584 0.462370 43 1 0 4.032549 0.793506 1.535863 44 6 0 1.717913 -1.013415 1.733326 45 1 0 2.714654 -0.909770 2.172884 46 1 0 1.023768 -0.476678 2.388585 47 1 0 1.463377 -2.078009 1.764664 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.540999 0.000000 3 C 2.528590 1.518457 0.000000 4 O 3.548745 2.409143 1.215111 0.000000 5 C 2.949333 2.557252 1.525362 2.406882 0.000000 6 C 2.497776 2.958890 2.546212 3.571599 1.520537 7 C 3.622473 4.229949 3.642283 4.470696 2.473861 8 C 4.272134 5.257051 4.953374 5.830409 3.901264 9 C 3.913448 5.156421 5.286659 6.335463 4.405682 10 C 2.535595 3.948835 4.416028 5.495926 3.945543 11 C 1.559094 2.613403 3.034982 4.202674 2.602996 12 C 3.145859 4.611588 5.460314 6.565330 5.200691 13 C 4.550922 6.065633 6.849401 7.907981 6.525629 14 C 5.397554 6.864046 7.402111 8.483508 6.771845 15 C 5.033661 6.423347 6.663225 7.671300 5.882519 16 C 6.476889 7.794729 7.867807 8.837083 6.908036 17 C 7.388664 8.816549 9.058708 10.034489 8.233901 18 C 6.780002 8.276320 8.769071 9.799123 8.128227 19 O 7.500339 9.025176 9.646364 10.668867 9.123060 20 C 5.961240 7.299929 7.865667 9.025399 7.107931 21 H 4.304248 5.407890 5.543552 6.657314 4.514584 22 H 2.590382 4.025248 4.418397 5.349144 4.149846 23 H 3.528051 4.816451 5.706769 6.877889 5.350071 24 H 2.797891 4.229881 5.299055 6.336388 5.351521 25 H 5.201241 6.670306 7.606656 8.679854 7.367268 26 H 4.686029 6.224932 6.969757 7.928590 6.767716 27 H 4.986240 6.412076 6.643296 7.553262 6.027812 28 H 6.775688 8.015672 7.902038 8.772495 6.897469 29 H 6.807813 8.040989 8.081316 9.097506 6.990916 30 H 8.331554 9.739318 9.973112 10.974213 9.071140 31 H 7.766102 9.204762 9.401445 10.297376 8.649696 32 H 6.774348 8.064948 8.482016 9.628547 7.569270 33 H 5.344753 6.568387 7.138419 8.327909 6.359060 34 H 6.533211 7.880996 8.598410 9.769357 7.952880 35 H 1.095714 2.157860 3.463385 4.433965 3.956919 36 H 1.098254 2.154517 2.814164 3.601583 3.327201 37 H 2.177792 1.099880 2.131301 3.019632 2.883691 38 H 2.189627 1.094078 2.137873 2.540929 3.477855 39 H 3.905668 3.474127 2.143199 2.535492 1.093400 40 H 4.450929 4.795774 3.884841 4.482595 2.640323 41 H 4.591203 5.635760 5.319077 6.065819 4.465311 42 H 5.282543 6.180588 5.759580 6.603642 4.535115 43 H 3.433622 2.883428 2.116169 2.981035 1.103002 44 C 2.543934 3.146921 3.709660 4.921222 3.169217 45 H 2.875085 2.903479 3.296112 4.448170 2.788983 46 H 3.504461 4.177045 4.533809 5.731653 3.682563 47 H 2.734475 3.415356 4.337250 5.523015 4.090632 6 7 8 9 10 6 C 0.000000 7 C 1.338345 0.000000 8 C 2.519174 1.501518 0.000000 9 C 2.896535 2.530292 1.535740 0.000000 10 C 2.548438 2.851160 2.529899 1.556222 0.000000 11 C 1.533720 2.530242 3.042648 2.598781 1.570874 12 C 3.941448 4.378698 3.923367 2.590523 1.551841 13 C 5.144382 5.269396 4.409636 3.031777 2.601684 14 C 5.289206 5.088770 3.930577 2.578339 2.995715 15 C 4.362444 3.862282 2.532436 1.532743 2.517342 16 C 5.425579 4.642028 3.165062 2.675207 3.980782 17 C 6.721442 6.043036 4.570915 3.877927 4.884071 18 C 6.617856 6.231254 4.897234 3.804541 4.379337 19 O 7.630214 7.331986 6.037854 4.902773 5.254577 20 C 5.713295 5.608930 4.579829 3.162066 3.702869 21 H 3.125959 2.882920 2.146281 1.099511 2.181842 22 H 2.825634 2.982756 2.652097 2.129754 1.102359 23 H 4.188814 4.723484 4.355585 2.941948 2.180740 24 H 4.283817 4.927516 4.687983 3.523798 2.178394 25 H 6.051331 6.281912 5.465295 4.032001 3.538255 26 H 5.397398 5.445615 4.564106 3.427636 2.912939 27 H 4.535247 4.012766 2.735641 2.117213 2.672467 28 H 5.475030 4.483029 3.001896 3.061007 4.412692 29 H 5.566189 4.804674 3.437162 2.915007 4.344502 30 H 7.573227 6.868059 5.397975 4.712011 5.803741 31 H 7.149365 6.399038 4.922017 4.444897 5.352552 32 H 6.173130 5.876500 4.742229 3.530880 4.423990 33 H 5.061804 5.123433 4.335482 2.902299 3.306251 34 H 6.597834 6.606732 5.620750 4.158543 4.454240 35 H 3.455563 4.542612 4.980484 4.314940 2.805065 36 H 2.782199 3.636458 4.179858 4.003473 2.659618 37 H 3.388725 4.724536 5.750250 5.506177 4.356829 38 H 3.938442 5.140201 6.130010 6.029367 4.715789 39 H 2.172992 2.592399 4.093108 4.925305 4.697470 40 H 2.092755 1.090186 2.213453 3.507856 3.932627 41 H 3.153723 2.137813 1.103273 2.170851 2.921353 42 H 3.296686 2.135537 1.098877 2.173543 3.478499 43 H 2.160248 3.127293 4.471980 4.800968 4.404350 44 C 2.511970 3.503503 3.983055 3.287002 2.583237 45 H 2.692416 3.817180 4.612738 4.185916 3.540437 46 H 2.849803 3.489204 3.724680 2.952566 2.779136 47 H 3.473070 4.478887 4.797875 3.846540 2.918166 11 12 13 14 15 11 C 0.000000 12 C 2.605670 0.000000 13 C 3.999266 1.543102 0.000000 14 C 4.449076 2.520638 1.531389 0.000000 15 C 3.933636 2.912692 2.499029 1.545024 0.000000 16 C 5.263562 4.395786 3.791087 2.441490 1.543438 17 C 6.335679 4.887134 3.816366 2.490519 2.412821 18 C 5.894698 3.929504 2.604575 1.533667 2.375648 19 O 6.775986 4.539733 3.041095 2.454265 3.517337 20 C 4.841436 3.099143 2.545723 1.551807 2.599210 21 H 2.817480 2.921387 3.467469 2.847033 2.162852 22 H 2.150028 2.146166 2.859271 3.395441 2.751036 23 H 2.814245 1.095216 2.155717 2.819630 3.399388 24 H 2.842792 1.096168 2.159282 3.461598 3.878841 25 H 4.779809 2.178494 1.096491 2.180470 3.469799 26 H 4.361083 2.178911 1.098594 2.156251 2.747461 27 H 4.148868 3.135735 2.608450 2.123241 1.105077 28 H 5.589223 5.102746 4.612571 3.411885 2.208769 29 H 5.446856 4.735606 4.290166 2.844857 2.191346 30 H 7.203120 5.730887 4.641917 3.240129 3.342325 31 H 6.839229 5.438008 4.308571 3.226311 2.968801 32 H 5.519864 4.080310 3.511426 2.214487 2.872766 33 H 4.155949 2.791033 2.822853 2.208868 2.909150 34 H 5.569906 3.512598 2.776934 2.174108 3.527402 35 H 2.187296 2.826653 4.224521 5.295388 5.247644 36 H 2.171117 3.397133 4.568078 5.444129 4.951555 37 H 2.915868 4.839438 6.364923 7.133724 6.824414 38 H 3.555882 5.234235 6.619838 7.570294 7.191028 39 H 3.533816 6.073665 7.298854 7.417314 6.358210 40 H 3.510159 5.466655 6.319140 6.057318 4.732654 41 H 3.641386 4.259673 4.525394 4.121155 2.643839 42 H 3.949983 4.748051 5.090429 4.311691 2.885253 43 H 2.953110 5.500581 6.894091 7.094377 6.327462 44 C 1.550954 3.016834 4.460166 4.811778 4.601080 45 H 2.205040 4.075268 5.544300 5.888422 5.588448 46 H 2.197651 3.213918 4.437363 4.449447 4.225657 47 H 2.203635 2.772232 4.222085 4.809655 4.934537 16 17 18 19 20 16 C 0.000000 17 C 1.546937 0.000000 18 C 2.463590 1.542457 0.000000 19 O 3.637990 2.453825 1.211898 0.000000 20 C 3.070516 3.221421 2.450074 3.188679 0.000000 21 H 2.965057 4.205850 4.136120 5.239710 2.844568 22 H 4.196109 4.996613 4.548923 5.356039 4.436567 23 H 4.729290 5.260257 4.289999 4.893846 2.803430 24 H 5.393598 5.794906 4.737818 5.172399 4.087337 25 H 4.599161 4.373622 2.941267 2.992252 2.748286 26 H 4.009740 3.900959 2.779292 3.075193 3.485094 27 H 2.126119 2.665112 2.610492 3.581226 3.502041 28 H 1.094283 2.208702 3.364274 4.475728 4.139514 29 H 1.096642 2.195226 3.028839 4.177378 2.890552 30 H 2.237057 1.095408 2.180910 2.808145 3.545514 31 H 2.204212 1.097269 2.147380 2.757025 4.212633 32 H 2.769155 2.933156 2.643836 3.460270 1.095319 33 H 3.598502 4.104082 3.432346 4.210135 1.093371 34 H 3.985976 3.787713 2.723963 3.045636 1.095403 35 H 6.756916 7.493664 6.674023 7.253545 5.797291 36 H 6.385424 7.233990 6.685088 7.377317 6.267533 37 H 8.173635 9.207973 8.613216 9.355820 7.344227 38 H 8.609836 9.544017 8.930338 9.592816 8.104027 39 H 7.224540 8.617807 8.685801 9.730678 7.805366 40 H 5.292913 6.744249 7.104752 8.232268 6.562497 41 H 3.213579 4.447268 4.854709 5.931915 5.072101 42 H 2.972879 4.496041 5.109116 6.304751 4.755470 43 H 7.310941 8.657900 8.515230 9.514417 7.196359 44 C 5.809331 6.866109 6.338587 7.190277 4.706282 45 H 6.730794 7.869643 7.409833 8.279984 5.726858 46 H 5.232735 6.342839 5.938711 6.861059 4.097693 47 H 6.224973 7.087819 6.334948 7.038886 4.625105 21 22 23 24 25 21 H 0.000000 22 H 3.045471 0.000000 23 H 2.853052 3.056426 0.000000 24 H 3.922364 2.439724 1.748158 0.000000 25 H 4.301991 3.851022 2.446449 2.503957 0.000000 26 H 4.121508 2.736474 3.063762 2.465094 1.758139 27 H 3.038879 2.442336 3.902372 3.888258 3.632273 28 H 3.485690 4.450653 5.537208 6.044482 5.506962 29 H 2.787897 4.787410 4.827489 5.804622 5.002934 30 H 4.846623 6.016711 5.958180 6.672547 5.045860 31 H 4.966330 5.241896 5.975734 6.240556 4.897808 32 H 3.089132 5.138705 3.792447 5.113485 3.769290 33 H 2.319394 4.232930 2.200535 3.779084 3.086274 34 H 3.869827 5.152757 3.123220 4.330443 2.529239 35 H 4.647625 2.951103 3.131433 2.178136 4.672448 36 H 4.640521 2.241035 4.058731 3.007585 5.304937 37 H 5.548290 4.674040 4.796439 4.492923 6.864280 38 H 6.373192 4.619933 5.525531 4.658876 7.158718 39 H 5.075287 4.782316 6.282899 6.282374 8.206554 40 H 3.795475 3.963450 5.802657 5.990962 7.347439 41 H 3.047222 2.616209 4.907627 4.919254 5.619277 42 H 2.400253 3.709212 5.042088 5.614094 6.107347 43 H 4.658587 4.834168 5.428975 5.688435 7.651538 44 C 2.960063 3.486415 2.616892 3.321692 5.010505 45 H 3.816264 4.329879 3.670622 4.256854 6.077255 46 H 2.292975 3.815490 2.652890 3.815848 4.997181 47 H 3.546159 3.807828 2.173218 2.871238 4.553696 26 27 28 29 30 26 H 0.000000 27 H 2.389181 0.000000 28 H 4.659870 2.427568 0.000000 29 H 4.735136 3.053229 1.761974 0.000000 30 H 4.839816 3.736981 2.834398 2.439061 0.000000 31 H 4.110513 2.808795 2.416389 3.056938 1.756023 32 H 4.337737 3.861911 3.815588 2.282517 2.972929 33 H 3.857487 3.868114 4.573437 3.292315 4.482952 34 H 3.724689 4.288425 5.075813 3.848021 3.976176 35 H 4.410406 5.223245 7.198200 7.090793 8.412656 36 H 4.445778 4.667668 6.571465 6.875491 8.245237 37 H 6.688837 6.968902 8.485614 8.292305 10.063401 38 H 6.658518 7.059522 8.818800 8.938386 10.505347 39 H 7.472744 6.452584 7.053864 7.309080 9.441964 40 H 6.444385 4.834506 4.945021 5.415483 7.526062 41 H 4.415228 2.404061 2.825721 3.781424 5.366354 42 H 5.321862 3.274591 2.641341 3.008268 5.160038 43 H 7.287855 6.636269 7.392200 7.241237 9.417632 44 C 5.120394 5.108919 6.300870 5.726111 7.580865 45 H 6.169413 6.077637 7.141116 6.590029 8.567767 46 H 5.221422 4.934110 5.767923 4.976039 6.948262 47 H 4.947161 5.424947 6.847565 6.171465 7.784453 31 32 33 34 35 31 H 0.000000 32 H 4.019423 0.000000 33 H 5.080263 1.763127 0.000000 34 H 4.727656 1.766478 1.772276 0.000000 35 H 7.906614 6.721520 5.200606 6.198258 0.000000 36 H 7.459638 7.065742 5.812475 6.866358 1.759170 37 H 9.704711 8.105023 6.501445 7.866808 2.476010 38 H 9.859853 8.928003 7.427044 8.616588 2.518295 39 H 8.965868 8.164306 7.110404 8.717352 4.958808 40 H 7.031213 6.724145 6.091378 7.591447 5.447955 41 H 4.550000 5.256448 5.015905 6.065768 5.296941 42 H 4.895502 4.663841 4.558907 5.843716 5.985866 43 H 9.186336 7.628147 6.330863 8.003895 4.279927 44 C 7.557943 5.360060 3.771584 5.326284 2.748878 45 H 8.555619 6.315280 4.747265 6.343370 3.201073 46 H 7.131328 4.593101 3.100045 4.797691 3.727438 47 H 7.802816 5.420983 3.698632 5.034781 2.485245 36 37 38 39 40 36 H 0.000000 37 H 3.067209 0.000000 38 H 2.466780 1.767269 0.000000 39 H 4.083132 3.871155 4.257081 0.000000 40 H 4.400407 5.305910 5.658675 2.288825 0.000000 41 H 4.229921 6.289924 6.376272 4.557815 2.634125 42 H 5.256372 6.589029 7.101754 4.574927 2.465386 43 H 4.070383 2.777756 3.859603 1.765284 3.303175 44 C 3.483544 2.865149 4.143211 4.170839 4.394212 45 H 3.884015 2.359384 3.923125 3.787480 4.515276 46 H 4.326442 3.902795 5.203171 4.538439 4.355233 47 H 3.720135 3.007767 4.242547 5.141726 5.421741 41 42 43 44 45 41 H 0.000000 42 H 1.750054 0.000000 43 H 5.210709 4.972620 0.000000 44 C 4.816266 4.638135 2.943042 0.000000 45 H 5.472774 5.201368 2.245839 1.094279 0.000000 46 H 4.691525 4.158573 3.375391 1.095120 1.758747 47 H 5.549340 5.496523 3.859870 1.095048 1.759864 46 47 46 H 0.000000 47 H 1.773921 0.000000 Stoichiometry C19H26O2 Framework group C1[X(C19H26O2)] Deg. of freedom 135 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.509724 -1.363968 -0.658692 2 6 0 4.024972 -1.363024 -0.378158 3 6 0 4.587078 0.047501 -0.365228 4 8 0 5.590346 0.369906 -0.970210 5 6 0 3.792293 1.032448 0.486198 6 6 0 2.290021 0.945084 0.268073 7 6 0 1.583613 2.063065 0.062467 8 6 0 0.093863 2.117607 -0.117049 9 6 0 -0.603318 0.810488 0.287766 10 6 0 0.195581 -0.406010 -0.263341 11 6 0 1.666056 -0.455847 0.286990 12 6 0 -0.561870 -1.750536 -0.099849 13 6 0 -2.026612 -1.720370 -0.584394 14 6 0 -2.776805 -0.560318 0.076394 15 6 0 -2.037355 0.756250 -0.250655 16 6 0 -3.054097 1.865314 0.093459 17 6 0 -4.388196 1.272976 -0.418721 18 6 0 -4.176168 -0.253931 -0.471369 19 8 0 -4.981394 -1.063435 -0.877586 20 6 0 -2.982017 -0.812765 1.593715 21 1 0 -0.623536 0.763950 1.386106 22 1 0 0.287644 -0.224194 -1.346698 23 1 0 -0.552106 -2.055001 0.952151 24 1 0 -0.029426 -2.539002 -0.644284 25 1 0 -2.514313 -2.678566 -0.369220 26 1 0 -2.059009 -1.593011 -1.675100 27 1 0 -1.942597 0.771298 -1.351559 28 1 0 -2.812481 2.820301 -0.383067 29 1 0 -3.090535 2.045186 1.174635 30 1 0 -5.261314 1.516031 0.196509 31 1 0 -4.621191 1.612343 -1.435846 32 1 0 -3.534383 -0.002103 2.080995 33 1 0 -2.032336 -0.924399 2.123907 34 1 0 -3.559484 -1.733399 1.731096 35 1 0 2.143600 -2.395282 -0.604529 36 1 0 2.350722 -1.028281 -1.692227 37 1 0 4.225694 -1.816062 0.603781 38 1 0 4.567095 -1.950725 -1.124962 39 1 0 4.165454 2.042311 0.295279 40 1 0 2.111761 3.016051 0.025289 41 1 0 -0.139412 2.350859 -1.169849 42 1 0 -0.313867 2.957584 0.462370 43 1 0 4.032549 0.793506 1.535863 44 6 0 1.717913 -1.013415 1.733326 45 1 0 2.714654 -0.909770 2.172884 46 1 0 1.023768 -0.476678 2.388585 47 1 0 1.463377 -2.078009 1.764664 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8045227 0.1690115 0.1538677 Standard basis: 6-31G(d) (6D, 7F) There are 367 symmetry adapted basis functions of A symmetry. Integral buffers will be 262144 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 367 basis functions, 692 primitive gaussians, 367 cartesian basis functions 78 alpha electrons 78 beta electrons nuclear repulsion energy 1783.4700098991 Hartrees. NAtoms= 47 NActive= 47 NUniq= 47 SFac= 1.00D+00 NAtFMM= 60 Big=F One-electron integrals computed using PRISM. NBasis= 367 RedAO= T NBF= 367 NBsUse= 367 1.00D-06 NBFU= 367 Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=1 IRadAn= 1 AccDes= 1.00D-06 HarFok: IExCor= 205 AccDes= 1.00D-06 IRadAn= 1 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 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) 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) The electronic state of the initial guess is 1-A. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -884.363024243 A.U. after 16 cycles Convg = 0.3750D-08 -V/T = 2.0018 S**2 = 0.0000 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=1 IRadAn= 1 AccDes= 1.00D-06 HarFok: IExCor= 205 AccDes= 1.00D-06 IRadAn= 1 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Range of M.O.s used for correlation: 22 367 NBasis= 367 NAE= 78 NBE= 78 NFC= 21 NFV= 0 NROrb= 346 NOA= 57 NOB= 57 NVA= 289 NVB= 289 Disk-based method using OVN memory for 29 occupieds at a time. Estimated scratch disk usage= 1068181181 words. Actual scratch disk usage= 1067613885 words. JobTyp=1 Pass 1: I= 1 to 29 NPSUse= 1 ParTrn=F ParDer=F DoDerP=F. JobTyp=1 Pass 2: I= 30 to 57 NPSUse= 1 ParTrn=F ParDer=F DoDerP=F. Spin components of T(2) and E(2): alpha-alpha T2 = 0.1256407953D+00 E2= -0.3670943010D+00 alpha-beta T2 = 0.6986177083D+00 E2= -0.2094836619D+01 beta-beta T2 = 0.1256407953D+00 E2= -0.3670943010D+00 ANorm= 0.1396387947D+01 E2 = -0.2829025221D+01 EUMP2 = -0.88719204946407D+03 ********************************************************************** 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.55315 -20.55182 -11.33022 -11.32840 -11.25817 Alpha occ. eigenvalues -- -11.24542 -11.24527 -11.24189 -11.24133 -11.24094 Alpha occ. eigenvalues -- -11.24051 -11.24003 -11.23984 -11.23886 -11.23880 Alpha occ. eigenvalues -- -11.23589 -11.23465 -11.23286 -11.23101 -11.22986 Alpha occ. eigenvalues -- -11.22954 -1.38140 -1.37992 -1.17575 -1.14807 Alpha occ. eigenvalues -- -1.08540 -1.07807 -1.04813 -1.02396 -0.99828 Alpha occ. eigenvalues -- -0.97750 -0.94038 -0.92898 -0.90331 -0.87983 Alpha occ. eigenvalues -- -0.84065 -0.82797 -0.78466 -0.76523 -0.73406 Alpha occ. eigenvalues -- -0.71336 -0.69125 -0.66509 -0.66336 -0.64957 Alpha occ. eigenvalues -- -0.64299 -0.63989 -0.62381 -0.62125 -0.61165 Alpha occ. eigenvalues -- -0.60810 -0.59988 -0.58485 -0.57345 -0.57174 Alpha occ. eigenvalues -- -0.56076 -0.55610 -0.55018 -0.54533 -0.54031 Alpha occ. eigenvalues -- -0.53636 -0.53056 -0.52715 -0.51287 -0.50604 Alpha occ. eigenvalues -- -0.49278 -0.49155 -0.48327 -0.47917 -0.47186 Alpha occ. eigenvalues -- -0.46466 -0.46235 -0.45136 -0.42483 -0.41806 Alpha occ. eigenvalues -- -0.40678 -0.38015 -0.34122 Alpha virt. eigenvalues -- 0.14414 0.15270 0.18342 0.20734 0.21278 Alpha virt. eigenvalues -- 0.22650 0.23260 0.24388 0.25111 0.25992 Alpha virt. eigenvalues -- 0.26858 0.27568 0.27860 0.28885 0.29807 Alpha virt. eigenvalues -- 0.29966 0.30642 0.30888 0.31531 0.31902 Alpha virt. eigenvalues -- 0.32710 0.33287 0.33767 0.34120 0.34811 Alpha virt. eigenvalues -- 0.35848 0.36249 0.36926 0.37078 0.37708 Alpha virt. eigenvalues -- 0.37955 0.38659 0.39103 0.39518 0.40815 Alpha virt. eigenvalues -- 0.41561 0.41793 0.43422 0.43896 0.44296 Alpha virt. eigenvalues -- 0.44594 0.45873 0.47165 0.48120 0.49329 Alpha virt. eigenvalues -- 0.49784 0.51271 0.52334 0.53744 0.54297 Alpha virt. eigenvalues -- 0.58659 0.59427 0.65475 0.69298 0.70206 Alpha virt. eigenvalues -- 0.70453 0.71522 0.72651 0.74342 0.74895 Alpha virt. eigenvalues -- 0.76074 0.76879 0.78213 0.80425 0.80766 Alpha virt. eigenvalues -- 0.80938 0.82974 0.83324 0.84827 0.85178 Alpha virt. eigenvalues -- 0.87103 0.87744 0.88074 0.89062 0.89091 Alpha virt. eigenvalues -- 0.90476 0.90817 0.92042 0.93593 0.94307 Alpha virt. eigenvalues -- 0.94942 0.95833 0.96295 0.96629 0.97334 Alpha virt. eigenvalues -- 0.98937 0.99274 1.00433 1.00980 1.01873 Alpha virt. eigenvalues -- 1.03295 1.05384 1.06536 1.07195 1.08050 Alpha virt. eigenvalues -- 1.08331 1.09662 1.10008 1.10359 1.10750 Alpha virt. eigenvalues -- 1.11772 1.12285 1.12517 1.12823 1.13507 Alpha virt. eigenvalues -- 1.13829 1.14445 1.15028 1.15502 1.15692 Alpha virt. eigenvalues -- 1.16396 1.16977 1.18112 1.18391 1.19012 Alpha virt. eigenvalues -- 1.19193 1.19864 1.20723 1.21092 1.21815 Alpha virt. eigenvalues -- 1.23063 1.23917 1.24192 1.24771 1.25755 Alpha virt. eigenvalues -- 1.26290 1.26822 1.27983 1.28738 1.31208 Alpha virt. eigenvalues -- 1.31344 1.32271 1.33889 1.34226 1.37085 Alpha virt. eigenvalues -- 1.37790 1.38455 1.38990 1.40335 1.42312 Alpha virt. eigenvalues -- 1.43266 1.44696 1.45027 1.47733 1.48646 Alpha virt. eigenvalues -- 1.51925 1.52662 1.58525 1.61595 1.62328 Alpha virt. eigenvalues -- 1.63462 1.67739 1.71109 1.73531 1.73930 Alpha virt. eigenvalues -- 1.77401 1.78188 1.79188 1.82095 1.83844 Alpha virt. eigenvalues -- 1.87295 1.88519 1.89983 1.92581 1.93340 Alpha virt. eigenvalues -- 1.94651 1.96059 1.97500 1.99600 2.01312 Alpha virt. eigenvalues -- 2.01487 2.02412 2.02541 2.06021 2.07066 Alpha virt. eigenvalues -- 2.08019 2.08865 2.09707 2.10687 2.11046 Alpha virt. eigenvalues -- 2.12472 2.13884 2.14441 2.14936 2.16215 Alpha virt. eigenvalues -- 2.17532 2.18555 2.19396 2.19527 2.21433 Alpha virt. eigenvalues -- 2.22745 2.24209 2.25311 2.25905 2.26537 Alpha virt. eigenvalues -- 2.27415 2.27662 2.29005 2.30055 2.30339 Alpha virt. eigenvalues -- 2.31071 2.32615 2.33988 2.34889 2.36082 Alpha virt. eigenvalues -- 2.37192 2.38077 2.39119 2.39436 2.40064 Alpha virt. eigenvalues -- 2.42472 2.43983 2.44843 2.46787 2.48153 Alpha virt. eigenvalues -- 2.49898 2.50264 2.52792 2.55244 2.56511 Alpha virt. eigenvalues -- 2.58494 2.59329 2.62624 2.64064 2.64948 Alpha virt. eigenvalues -- 2.66095 2.66946 2.68745 2.69916 2.70585 Alpha virt. eigenvalues -- 2.72356 2.74103 2.74414 2.75769 2.76700 Alpha virt. eigenvalues -- 2.77637 2.78803 2.82029 2.82597 2.84025 Alpha virt. eigenvalues -- 2.86096 2.86454 2.87332 2.90107 2.93119 Alpha virt. eigenvalues -- 2.95374 2.97336 2.99293 3.00692 3.02199 Alpha virt. eigenvalues -- 3.03236 3.06507 3.06998 3.09495 3.10200 Alpha virt. eigenvalues -- 3.11626 3.12519 3.16925 3.21430 3.22561 Alpha virt. eigenvalues -- 3.24899 3.32607 3.34873 3.37164 3.38729 Alpha virt. eigenvalues -- 3.39604 3.45094 3.48494 4.42181 4.53749 Alpha virt. eigenvalues -- 4.55158 4.58619 4.59585 4.65321 4.68845 Alpha virt. eigenvalues -- 4.70544 4.71381 4.75012 4.81069 4.84859 Alpha virt. eigenvalues -- 4.88062 4.92789 5.00848 5.01872 5.05421 Alpha virt. eigenvalues -- 5.08676 5.14309 5.23992 5.28638 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.192919 0.298368 -0.041148 0.001481 0.004012 -0.066106 2 C 0.298368 5.312986 0.335978 -0.068710 -0.124954 0.005981 3 C -0.041148 0.335978 4.438024 0.577359 0.320588 -0.032468 4 O 0.001481 -0.068710 0.577359 8.092284 -0.069931 0.002064 5 C 0.004012 -0.124954 0.320588 -0.069931 5.329697 0.280712 6 C -0.066106 0.005981 -0.032468 0.002064 0.280712 4.994246 7 C 0.000451 0.000687 0.000145 -0.000089 -0.036919 0.699885 8 C -0.000196 -0.000006 -0.000085 0.000000 0.003239 -0.045463 9 C 0.004473 -0.000074 0.000025 0.000000 0.000054 -0.002813 10 C -0.062435 0.004007 -0.000363 0.000000 0.003017 -0.052959 11 C 0.359294 -0.050779 -0.002651 0.000109 -0.050292 0.351023 12 C -0.004490 0.000014 -0.000006 0.000000 -0.000055 0.003779 13 C -0.000030 0.000001 0.000000 0.000000 0.000000 -0.000048 14 C 0.000001 0.000000 0.000000 0.000000 0.000000 0.000007 15 C -0.000056 0.000001 0.000000 0.000000 0.000003 -0.000141 16 C 0.000001 0.000000 0.000000 0.000000 0.000000 -0.000008 17 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000001 21 H -0.000011 0.000000 0.000001 0.000000 -0.000070 0.001016 22 H -0.006569 0.000017 0.000014 0.000000 -0.000151 -0.002344 23 H 0.000328 -0.000023 0.000001 0.000000 -0.000003 -0.000132 24 H -0.000083 0.000058 -0.000002 0.000000 0.000000 -0.000058 25 H -0.000001 0.000000 0.000000 0.000000 0.000000 0.000001 26 H 0.000003 0.000000 0.000000 0.000000 0.000000 0.000000 27 H -0.000004 0.000000 0.000000 0.000000 0.000000 0.000019 28 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 29 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000002 30 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 31 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 32 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 33 H 0.000002 0.000000 0.000000 0.000000 0.000000 -0.000002 34 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 35 H 0.396008 -0.034815 0.003526 -0.000050 -0.000647 0.005475 36 H 0.398737 -0.041627 -0.002592 0.000197 0.001723 -0.001583 37 H -0.039172 0.383820 -0.036943 0.000688 0.004619 -0.001168 38 H -0.029742 0.388670 -0.034588 0.004403 0.004826 -0.000715 39 H -0.000486 0.004480 -0.031491 0.004522 0.387101 -0.037173 40 H -0.000120 -0.000009 0.000125 -0.000008 -0.004095 -0.036919 41 H 0.000040 0.000000 0.000010 0.000000 -0.000094 -0.002678 42 H 0.000001 0.000000 -0.000001 0.000000 -0.000119 0.001513 43 H -0.000416 0.003045 -0.045070 0.000614 0.387697 -0.046903 44 C -0.071513 -0.000693 -0.001084 -0.000008 0.000199 -0.072970 45 H -0.002896 0.000454 -0.000624 -0.000002 0.000474 -0.006246 46 H 0.004504 -0.000080 0.000031 0.000000 0.000031 -0.001951 47 H -0.003308 -0.000001 0.000096 0.000000 -0.000200 0.005626 7 8 9 10 11 12 1 C 0.000451 -0.000196 0.004473 -0.062435 0.359294 -0.004490 2 C 0.000687 -0.000006 -0.000074 0.004007 -0.050779 0.000014 3 C 0.000145 -0.000085 0.000025 -0.000363 -0.002651 -0.000006 4 O -0.000089 0.000000 0.000000 0.000000 0.000109 0.000000 5 C -0.036919 0.003239 0.000054 0.003017 -0.050292 -0.000055 6 C 0.699885 -0.045463 -0.002813 -0.052959 0.351023 0.003779 7 C 4.997564 0.341978 -0.047288 -0.004324 -0.034896 -0.000091 8 C 0.341978 5.082895 0.356501 -0.056202 -0.010890 0.003714 9 C -0.047288 0.356501 5.051127 0.360832 -0.041996 -0.046229 10 C -0.004324 -0.056202 0.360832 5.129956 0.380683 0.341718 11 C -0.034896 -0.010890 -0.041996 0.380683 5.070317 -0.048087 12 C -0.000091 0.003714 -0.046229 0.341718 -0.048087 5.142181 13 C 0.000006 -0.000381 -0.003125 -0.044406 0.003373 0.335605 14 C -0.000073 0.004116 -0.041492 -0.004354 -0.000236 -0.055584 15 C 0.004440 -0.056904 0.360013 -0.056955 0.003954 -0.007464 16 C 0.000044 -0.003994 -0.031572 0.003554 -0.000050 -0.000228 17 C 0.000001 0.000006 0.002818 -0.000148 0.000001 -0.000086 18 C 0.000001 -0.000074 0.003527 -0.000252 0.000006 0.003975 19 O 0.000000 0.000000 -0.000055 -0.000001 0.000000 0.000109 20 C -0.000002 -0.000068 -0.003379 0.000136 -0.000020 -0.004655 21 H -0.001243 -0.039263 0.400180 -0.042941 -0.002767 -0.001580 22 H 0.000762 -0.003330 -0.049280 0.405101 -0.043773 -0.044466 23 H 0.000006 -0.000071 -0.001447 -0.041484 -0.005679 0.398466 24 H -0.000003 -0.000095 0.003671 -0.037115 -0.003236 0.405177 25 H 0.000000 0.000010 -0.000380 0.003602 -0.000061 -0.037891 26 H 0.000001 -0.000037 0.000801 -0.002416 -0.000128 -0.040848 27 H -0.000209 -0.004920 -0.041740 -0.004873 -0.000055 -0.000086 28 H 0.000012 0.000984 -0.001826 -0.000077 0.000000 -0.000001 29 H -0.000035 -0.000237 -0.001605 -0.000012 -0.000001 0.000002 30 H 0.000000 0.000000 -0.000054 0.000001 0.000000 0.000001 31 H 0.000000 -0.000004 -0.000046 0.000003 0.000000 0.000003 32 H 0.000000 -0.000024 0.000121 -0.000006 0.000000 -0.000006 33 H 0.000005 -0.000019 0.001023 0.000049 0.000009 -0.000699 34 H 0.000000 0.000003 -0.000054 -0.000008 0.000000 0.000154 35 H -0.000010 -0.000002 -0.000103 -0.004885 -0.034091 0.000201 36 H -0.000098 0.000067 -0.000037 -0.005609 -0.041805 0.000391 37 H -0.000066 0.000001 0.000001 -0.000077 -0.001668 0.000002 38 H -0.000012 0.000000 0.000001 -0.000049 0.003484 -0.000001 39 H -0.000210 0.000166 0.000001 -0.000062 0.002321 0.000001 40 H 0.390346 -0.036504 0.003053 0.000004 0.003041 0.000004 41 H -0.039952 0.391731 -0.038995 -0.004602 0.001206 -0.000171 42 H -0.039346 0.400562 -0.035347 0.004977 -0.000262 -0.000059 43 H -0.004794 -0.000013 -0.000039 0.000052 0.001321 0.000003 44 C -0.002889 0.001269 -0.005524 -0.048226 0.339758 -0.006175 45 H 0.000257 -0.000028 -0.000072 0.003884 -0.032303 0.000198 46 H 0.001021 -0.000194 0.000822 -0.004195 -0.034906 -0.000550 47 H -0.000014 -0.000017 0.000412 -0.004249 -0.034398 -0.001338 13 14 15 16 17 18 1 C -0.000030 0.000001 -0.000056 0.000001 0.000000 0.000000 2 C 0.000001 0.000000 0.000001 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 C 0.000000 0.000000 0.000003 0.000000 0.000000 0.000000 6 C -0.000048 0.000007 -0.000141 -0.000008 0.000000 0.000000 7 C 0.000006 -0.000073 0.004440 0.000044 0.000001 0.000001 8 C -0.000381 0.004116 -0.056904 -0.003994 0.000006 -0.000074 9 C -0.003125 -0.041492 0.360013 -0.031572 0.002818 0.003527 10 C -0.044406 -0.004354 -0.056955 0.003554 -0.000148 -0.000252 11 C 0.003373 -0.000236 0.003954 -0.000050 0.000001 0.000006 12 C 0.335605 -0.055584 -0.007464 -0.000228 -0.000086 0.003975 13 C 5.074743 0.336436 -0.064696 0.004639 0.005337 -0.038521 14 C 0.336436 5.382352 0.334171 -0.047470 -0.146059 0.349138 15 C -0.064696 0.334171 5.238447 0.323675 -0.054428 -0.071161 16 C 0.004639 -0.047470 0.323675 5.154453 0.295474 -0.054148 17 C 0.005337 -0.146059 -0.054428 0.295474 5.309429 0.357447 18 C -0.038521 0.349138 -0.071161 -0.054148 0.357447 4.451707 19 O 0.006249 -0.075606 0.002132 0.003111 -0.062867 0.563113 20 C -0.052300 0.331861 -0.062267 -0.002818 0.002651 -0.057166 21 H 0.000715 -0.004698 -0.039885 -0.001944 -0.000002 -0.000166 22 H -0.000784 -0.000251 -0.004040 -0.000096 0.000007 -0.000089 23 H -0.038079 -0.005678 0.000540 -0.000034 0.000001 -0.000181 24 H -0.037472 0.004922 -0.000274 0.000009 0.000002 -0.000028 25 H 0.401916 -0.037307 0.005173 -0.000160 0.000056 -0.003543 26 H 0.405202 -0.045766 -0.003990 -0.000105 0.000140 -0.003907 27 H -0.003743 -0.054287 0.408155 -0.048684 0.000382 -0.004238 28 H -0.000070 0.003622 -0.032817 0.400109 -0.029792 0.002657 29 H -0.000104 -0.002993 -0.041276 0.396617 -0.034563 0.000049 30 H -0.000042 0.003484 0.004073 -0.029841 0.385500 -0.026852 31 H -0.000215 0.004452 -0.000066 -0.034054 0.386713 -0.030110 32 H 0.003966 -0.035343 -0.003539 0.000053 0.000630 -0.004034 33 H -0.003703 -0.032444 -0.004200 0.000352 -0.000383 0.004540 34 H -0.003705 -0.037710 0.004848 -0.000322 0.000546 -0.003998 35 H 0.000021 -0.000001 -0.000003 0.000000 0.000000 0.000000 36 H -0.000036 0.000001 -0.000009 0.000000 0.000000 0.000000 37 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 38 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 39 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 40 H 0.000000 0.000001 -0.000063 0.000000 0.000000 0.000000 41 H 0.000000 0.000067 -0.003257 -0.000495 -0.000051 -0.000004 42 H -0.000002 -0.000115 -0.004937 0.001069 0.000026 -0.000005 43 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 44 C 0.000014 0.000028 -0.000104 0.000002 0.000000 0.000000 45 H 0.000000 0.000000 0.000002 0.000000 0.000000 0.000000 46 H -0.000042 0.000007 -0.000008 0.000002 0.000000 0.000000 47 H 0.000063 0.000014 -0.000005 0.000000 0.000000 0.000000 19 20 21 22 23 24 1 C 0.000000 0.000000 -0.000011 -0.006569 0.000328 -0.000083 2 C 0.000000 0.000000 0.000000 0.000017 -0.000023 0.000058 3 C 0.000000 0.000000 0.000001 0.000014 0.000001 -0.000002 4 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 C 0.000000 0.000000 -0.000070 -0.000151 -0.000003 0.000000 6 C 0.000000 0.000001 0.001016 -0.002344 -0.000132 -0.000058 7 C 0.000000 -0.000002 -0.001243 0.000762 0.000006 -0.000003 8 C 0.000000 -0.000068 -0.039263 -0.003330 -0.000071 -0.000095 9 C -0.000055 -0.003379 0.400180 -0.049280 -0.001447 0.003671 10 C -0.000001 0.000136 -0.042941 0.405101 -0.041484 -0.037115 11 C 0.000000 -0.000020 -0.002767 -0.043773 -0.005679 -0.003236 12 C 0.000109 -0.004655 -0.001580 -0.044466 0.398466 0.405177 13 C 0.006249 -0.052300 0.000715 -0.000784 -0.038079 -0.037472 14 C -0.075606 0.331861 -0.004698 -0.000251 -0.005678 0.004922 15 C 0.002132 -0.062267 -0.039885 -0.004040 0.000540 -0.000274 16 C 0.003111 -0.002818 -0.001944 -0.000096 -0.000034 0.000009 17 C -0.062867 0.002651 -0.000002 0.000007 0.000001 0.000002 18 C 0.563113 -0.057166 -0.000166 -0.000089 -0.000181 -0.000028 19 O 8.112012 -0.000201 0.000000 0.000000 0.000000 0.000000 20 C -0.000201 5.159857 0.000397 0.000034 0.000328 0.000010 21 H 0.000000 0.000397 0.551517 0.004621 0.001069 -0.000078 22 H 0.000000 0.000034 0.004621 0.565712 0.004288 -0.003680 23 H 0.000000 0.000328 0.001069 0.004288 0.552749 -0.029191 24 H 0.000000 0.000010 -0.000078 -0.003680 -0.029191 0.529450 25 H 0.002387 -0.003098 -0.000018 -0.000055 -0.002751 -0.002047 26 H 0.000909 0.004464 0.000021 0.002142 0.004028 -0.003235 27 H -0.000082 0.005053 0.004579 0.003588 0.000075 -0.000108 28 H -0.000033 0.000055 0.000031 0.000006 0.000000 0.000000 29 H -0.000056 0.000849 0.001778 0.000000 -0.000001 0.000000 30 H 0.000682 -0.000472 0.000003 0.000000 0.000000 0.000000 31 H -0.000084 0.000140 -0.000001 -0.000001 0.000000 0.000000 32 H 0.000090 0.392202 0.000063 0.000001 0.000055 0.000001 33 H -0.000038 0.392445 -0.000765 -0.000028 -0.001433 0.000054 34 H 0.002271 0.390728 0.000066 0.000002 0.000258 -0.000024 35 H 0.000000 0.000000 -0.000002 0.000269 0.000149 -0.000138 36 H 0.000000 0.000000 -0.000004 0.003304 0.000000 0.000235 37 H 0.000000 0.000000 0.000000 -0.000004 -0.000003 0.000006 38 H 0.000000 0.000000 0.000000 -0.000006 0.000000 0.000000 39 H 0.000000 0.000000 0.000001 0.000003 0.000000 0.000000 40 H 0.000000 0.000000 -0.000107 -0.000068 0.000000 0.000000 41 H 0.000000 -0.000003 0.004272 0.001956 0.000000 0.000002 42 H 0.000000 0.000009 -0.003486 0.000084 0.000002 0.000001 43 H 0.000000 0.000000 -0.000008 -0.000002 0.000000 0.000000 44 C 0.000000 -0.000096 -0.000092 0.004427 -0.001069 -0.000078 45 H 0.000000 0.000001 0.000002 -0.000064 0.000203 -0.000035 46 H 0.000000 -0.000048 0.001023 -0.000031 -0.000207 0.000059 47 H 0.000000 -0.000014 0.000024 -0.000108 -0.002226 0.000201 25 26 27 28 29 30 1 C -0.000001 0.000003 -0.000004 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 C 0.000001 0.000000 0.000019 0.000000 0.000002 0.000000 7 C 0.000000 0.000001 -0.000209 0.000012 -0.000035 0.000000 8 C 0.000010 -0.000037 -0.004920 0.000984 -0.000237 0.000000 9 C -0.000380 0.000801 -0.041740 -0.001826 -0.001605 -0.000054 10 C 0.003602 -0.002416 -0.004873 -0.000077 -0.000012 0.000001 11 C -0.000061 -0.000128 -0.000055 0.000000 -0.000001 0.000000 12 C -0.037891 -0.040848 -0.000086 -0.000001 0.000002 0.000001 13 C 0.401916 0.405202 -0.003743 -0.000070 -0.000104 -0.000042 14 C -0.037307 -0.045766 -0.054287 0.003622 -0.002993 0.003484 15 C 0.005173 -0.003990 0.408155 -0.032817 -0.041276 0.004073 16 C -0.000160 -0.000105 -0.048684 0.400109 0.396617 -0.029841 17 C 0.000056 0.000140 0.000382 -0.029792 -0.034563 0.385500 18 C -0.003543 -0.003907 -0.004238 0.002657 0.000049 -0.026852 19 O 0.002387 0.000909 -0.000082 -0.000033 -0.000056 0.000682 20 C -0.003098 0.004464 0.005053 0.000055 0.000849 -0.000472 21 H -0.000018 0.000021 0.004579 0.000031 0.001778 0.000003 22 H -0.000055 0.002142 0.003588 0.000006 0.000000 0.000000 23 H -0.002751 0.004028 0.000075 0.000000 -0.000001 0.000000 24 H -0.002047 -0.003235 -0.000108 0.000000 0.000000 0.000000 25 H 0.510290 -0.023470 0.000036 0.000002 0.000003 -0.000001 26 H -0.023470 0.536293 0.003315 0.000000 -0.000003 -0.000006 27 H 0.000036 0.003315 0.570620 -0.003590 0.004373 -0.000027 28 H 0.000002 0.000000 -0.003590 0.509642 -0.025666 0.000768 29 H 0.000003 -0.000003 0.004373 -0.025666 0.534387 -0.003588 30 H -0.000001 -0.000006 -0.000027 0.000768 -0.003588 0.475882 31 H -0.000001 0.000004 0.000938 -0.004130 0.002834 -0.016233 32 H -0.000048 -0.000077 -0.000077 0.000071 -0.000510 -0.000152 33 H 0.000018 -0.000088 -0.000084 -0.000013 0.000011 0.000022 34 H 0.002775 -0.000038 -0.000077 0.000003 0.000035 -0.000021 35 H 0.000001 0.000006 0.000000 0.000000 0.000000 0.000000 36 H 0.000000 -0.000002 -0.000006 0.000000 0.000000 0.000000 37 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 38 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 39 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 40 H 0.000000 0.000000 -0.000003 0.000001 0.000000 0.000000 41 H 0.000000 -0.000004 0.003602 0.000508 0.000064 0.000000 42 H 0.000000 0.000000 0.000153 -0.000536 0.000265 0.000000 43 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 44 C 0.000004 -0.000001 -0.000007 0.000000 -0.000001 0.000000 45 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 46 H 0.000000 0.000000 0.000000 0.000000 -0.000001 0.000000 47 H 0.000002 -0.000003 0.000000 0.000000 0.000000 0.000000 31 32 33 34 35 36 1 C 0.000000 0.000000 0.000002 0.000000 0.396008 0.398737 2 C 0.000000 0.000000 0.000000 0.000000 -0.034815 -0.041627 3 C 0.000000 0.000000 0.000000 0.000000 0.003526 -0.002592 4 O 0.000000 0.000000 0.000000 0.000000 -0.000050 0.000197 5 C 0.000000 0.000000 0.000000 0.000000 -0.000647 0.001723 6 C 0.000000 0.000000 -0.000002 0.000000 0.005475 -0.001583 7 C 0.000000 0.000000 0.000005 0.000000 -0.000010 -0.000098 8 C -0.000004 -0.000024 -0.000019 0.000003 -0.000002 0.000067 9 C -0.000046 0.000121 0.001023 -0.000054 -0.000103 -0.000037 10 C 0.000003 -0.000006 0.000049 -0.000008 -0.004885 -0.005609 11 C 0.000000 0.000000 0.000009 0.000000 -0.034091 -0.041805 12 C 0.000003 -0.000006 -0.000699 0.000154 0.000201 0.000391 13 C -0.000215 0.003966 -0.003703 -0.003705 0.000021 -0.000036 14 C 0.004452 -0.035343 -0.032444 -0.037710 -0.000001 0.000001 15 C -0.000066 -0.003539 -0.004200 0.004848 -0.000003 -0.000009 16 C -0.034054 0.000053 0.000352 -0.000322 0.000000 0.000000 17 C 0.386713 0.000630 -0.000383 0.000546 0.000000 0.000000 18 C -0.030110 -0.004034 0.004540 -0.003998 0.000000 0.000000 19 O -0.000084 0.000090 -0.000038 0.002271 0.000000 0.000000 20 C 0.000140 0.392202 0.392445 0.390728 0.000000 0.000000 21 H -0.000001 0.000063 -0.000765 0.000066 -0.000002 -0.000004 22 H -0.000001 0.000001 -0.000028 0.000002 0.000269 0.003304 23 H 0.000000 0.000055 -0.001433 0.000258 0.000149 0.000000 24 H 0.000000 0.000001 0.000054 -0.000024 -0.000138 0.000235 25 H -0.000001 -0.000048 0.000018 0.002775 0.000001 0.000000 26 H 0.000004 -0.000077 -0.000088 -0.000038 0.000006 -0.000002 27 H 0.000938 -0.000077 -0.000084 -0.000077 0.000000 -0.000006 28 H -0.004130 0.000071 -0.000013 0.000003 0.000000 0.000000 29 H 0.002834 -0.000510 0.000011 0.000035 0.000000 0.000000 30 H -0.016233 -0.000152 0.000022 -0.000021 0.000000 0.000000 31 H 0.483793 0.000013 0.000000 -0.000004 0.000000 0.000000 32 H 0.000013 0.529024 -0.026553 -0.025322 0.000000 0.000000 33 H 0.000000 -0.026553 0.520964 -0.024894 0.000000 0.000000 34 H -0.000004 -0.025322 -0.024894 0.504812 0.000000 0.000000 35 H 0.000000 0.000000 0.000000 0.000000 0.522193 -0.024839 36 H 0.000000 0.000000 0.000000 0.000000 -0.024839 0.528312 37 H 0.000000 0.000000 0.000000 0.000000 -0.003775 0.003981 38 H 0.000000 0.000000 0.000000 0.000000 -0.002617 -0.002488 39 H 0.000000 0.000000 0.000000 0.000000 0.000011 -0.000023 40 H 0.000000 0.000000 0.000000 0.000000 0.000002 -0.000016 41 H -0.000002 0.000000 -0.000002 0.000000 -0.000002 -0.000009 42 H 0.000001 0.000000 0.000000 0.000000 0.000000 0.000001 43 H 0.000000 0.000000 0.000000 0.000000 0.000009 0.000021 44 C 0.000000 0.000001 0.000171 0.000000 -0.003541 0.004742 45 H 0.000000 0.000000 -0.000005 0.000000 0.000155 -0.000122 46 H 0.000000 0.000000 0.000500 -0.000002 -0.000068 -0.000089 47 H 0.000000 0.000000 -0.000002 0.000000 0.002018 0.000015 37 38 39 40 41 42 1 C -0.039172 -0.029742 -0.000486 -0.000120 0.000040 0.000001 2 C 0.383820 0.388670 0.004480 -0.000009 0.000000 0.000000 3 C -0.036943 -0.034588 -0.031491 0.000125 0.000010 -0.000001 4 O 0.000688 0.004403 0.004522 -0.000008 0.000000 0.000000 5 C 0.004619 0.004826 0.387101 -0.004095 -0.000094 -0.000119 6 C -0.001168 -0.000715 -0.037173 -0.036919 -0.002678 0.001513 7 C -0.000066 -0.000012 -0.000210 0.390346 -0.039952 -0.039346 8 C 0.000001 0.000000 0.000166 -0.036504 0.391731 0.400562 9 C 0.000001 0.000001 0.000001 0.003053 -0.038995 -0.035347 10 C -0.000077 -0.000049 -0.000062 0.000004 -0.004602 0.004977 11 C -0.001668 0.003484 0.002321 0.003041 0.001206 -0.000262 12 C 0.000002 -0.000001 0.000001 0.000004 -0.000171 -0.000059 13 C 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000002 14 C 0.000000 0.000000 0.000000 0.000001 0.000067 -0.000115 15 C 0.000000 0.000000 0.000000 -0.000063 -0.003257 -0.004937 16 C 0.000000 0.000000 0.000000 0.000000 -0.000495 0.001069 17 C 0.000000 0.000000 0.000000 0.000000 -0.000051 0.000026 18 C 0.000000 0.000000 0.000000 0.000000 -0.000004 -0.000005 19 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 C 0.000000 0.000000 0.000000 0.000000 -0.000003 0.000009 21 H 0.000000 0.000000 0.000001 -0.000107 0.004272 -0.003486 22 H -0.000004 -0.000006 0.000003 -0.000068 0.001956 0.000084 23 H -0.000003 0.000000 0.000000 0.000000 0.000000 0.000002 24 H 0.000006 0.000000 0.000000 0.000000 0.000002 0.000001 25 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 26 H 0.000000 0.000000 0.000000 0.000000 -0.000004 0.000000 27 H 0.000000 0.000000 0.000000 -0.000003 0.003602 0.000153 28 H 0.000000 0.000000 0.000000 0.000001 0.000508 -0.000536 29 H 0.000000 0.000000 0.000000 0.000000 0.000064 0.000265 30 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 31 H 0.000000 0.000000 0.000000 0.000000 -0.000002 0.000001 32 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 33 H 0.000000 0.000000 0.000000 0.000000 -0.000002 0.000000 34 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 35 H -0.003775 -0.002617 0.000011 0.000002 -0.000002 0.000000 36 H 0.003981 -0.002488 -0.000023 -0.000016 -0.000009 0.000001 37 H 0.522886 -0.018762 -0.000068 0.000000 0.000000 0.000000 38 H -0.018762 0.478008 -0.000096 0.000000 0.000000 0.000000 39 H -0.000068 -0.000096 0.467402 0.003050 -0.000002 -0.000009 40 H 0.000000 0.000000 0.003050 0.494909 0.000374 -0.002308 41 H 0.000000 0.000000 -0.000002 0.000374 0.550765 -0.031893 42 H 0.000000 0.000000 -0.000009 -0.002308 -0.031893 0.535663 43 H -0.000129 -0.000125 -0.015280 0.000007 -0.000006 0.000015 44 C 0.000921 -0.000047 0.000063 -0.000149 -0.000048 0.000046 45 H -0.000750 0.000033 0.000045 -0.000003 0.000000 0.000000 46 H 0.000010 0.000002 -0.000010 -0.000009 0.000004 -0.000008 47 H 0.000281 -0.000028 0.000001 0.000002 0.000001 -0.000001 43 44 45 46 47 1 C -0.000416 -0.071513 -0.002896 0.004504 -0.003308 2 C 0.003045 -0.000693 0.000454 -0.000080 -0.000001 3 C -0.045070 -0.001084 -0.000624 0.000031 0.000096 4 O 0.000614 -0.000008 -0.000002 0.000000 0.000000 5 C 0.387697 0.000199 0.000474 0.000031 -0.000200 6 C -0.046903 -0.072970 -0.006246 -0.001951 0.005626 7 C -0.004794 -0.002889 0.000257 0.001021 -0.000014 8 C -0.000013 0.001269 -0.000028 -0.000194 -0.000017 9 C -0.000039 -0.005524 -0.000072 0.000822 0.000412 10 C 0.000052 -0.048226 0.003884 -0.004195 -0.004249 11 C 0.001321 0.339758 -0.032303 -0.034906 -0.034398 12 C 0.000003 -0.006175 0.000198 -0.000550 -0.001338 13 C 0.000000 0.000014 0.000000 -0.000042 0.000063 14 C 0.000000 0.000028 0.000000 0.000007 0.000014 15 C 0.000000 -0.000104 0.000002 -0.000008 -0.000005 16 C 0.000000 0.000002 0.000000 0.000002 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 0.000000 18 C 0.000000 0.000000 0.000000 0.000000 0.000000 19 O 0.000000 0.000000 0.000000 0.000000 0.000000 20 C 0.000000 -0.000096 0.000001 -0.000048 -0.000014 21 H -0.000008 -0.000092 0.000002 0.001023 0.000024 22 H -0.000002 0.004427 -0.000064 -0.000031 -0.000108 23 H 0.000000 -0.001069 0.000203 -0.000207 -0.002226 24 H 0.000000 -0.000078 -0.000035 0.000059 0.000201 25 H 0.000000 0.000004 0.000000 0.000000 0.000002 26 H 0.000000 -0.000001 0.000000 0.000000 -0.000003 27 H 0.000000 -0.000007 0.000000 0.000000 0.000000 28 H 0.000000 0.000000 0.000000 0.000000 0.000000 29 H 0.000000 -0.000001 0.000000 -0.000001 0.000000 30 H 0.000000 0.000000 0.000000 0.000000 0.000000 31 H 0.000000 0.000000 0.000000 0.000000 0.000000 32 H 0.000000 0.000001 0.000000 0.000000 0.000000 33 H 0.000000 0.000171 -0.000005 0.000500 -0.000002 34 H 0.000000 0.000000 0.000000 -0.000002 0.000000 35 H 0.000009 -0.003541 0.000155 -0.000068 0.002018 36 H 0.000021 0.004742 -0.000122 -0.000089 0.000015 37 H -0.000129 0.000921 -0.000750 0.000010 0.000281 38 H -0.000125 -0.000047 0.000033 0.000002 -0.000028 39 H -0.015280 0.000063 0.000045 -0.000010 0.000001 40 H 0.000007 -0.000149 -0.000003 -0.000009 0.000002 41 H -0.000006 -0.000048 0.000000 0.000004 0.000001 42 H 0.000015 0.000046 0.000000 -0.000008 -0.000001 43 H 0.526488 -0.000393 0.000032 -0.000032 -0.000017 44 C -0.000393 5.172927 0.392794 0.391311 0.389718 45 H 0.000032 0.392794 0.536246 -0.026499 -0.029063 46 H -0.000032 0.391311 -0.026499 0.524786 -0.025273 47 H -0.000017 0.389718 -0.029063 -0.025273 0.533069 Mulliken atomic charges: 1 1 C -0.331843 2 C -0.416797 3 C 0.553193 4 O -0.544923 5 C -0.440462 6 C 0.059502 7 C -0.225048 8 C -0.328220 9 C -0.154884 10 C -0.158291 11 C -0.044868 12 C -0.334853 13 C -0.286784 14 C -0.127212 15 C -0.177083 16 C -0.327138 17 C -0.418787 18 C 0.562315 19 O -0.554043 20 C -0.494611 21 H 0.167752 22 H 0.162882 23 H 0.167146 24 H 0.173124 25 H 0.184554 26 H 0.166793 27 H 0.162013 28 H 0.180080 29 H 0.169382 30 H 0.206872 31 H 0.206057 32 H 0.169399 33 H 0.175189 34 H 0.189678 35 H 0.179544 36 H 0.179266 37 H 0.185369 38 H 0.209847 39 H 0.215741 40 H 0.185460 41 H 0.167665 42 H 0.174046 43 H 0.193921 44 C -0.483688 45 H 0.163928 46 H 0.170092 47 H 0.168724 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 C 0.026967 2 C -0.021581 3 C 0.553193 4 O -0.544923 5 C -0.030799 6 C 0.059502 7 C -0.039589 8 C 0.013491 9 C 0.012868 10 C 0.004590 11 C -0.044868 12 C 0.005418 13 C 0.064563 14 C -0.127212 15 C -0.015069 16 C 0.022325 17 C -0.005857 18 C 0.562315 19 O -0.554043 20 C 0.039655 21 H 0.000000 22 H 0.000000 23 H 0.000000 24 H 0.000000 25 H 0.000000 26 H 0.000000 27 H 0.000000 28 H 0.000000 29 H 0.000000 30 H 0.000000 31 H 0.000000 32 H 0.000000 33 H 0.000000 34 H 0.000000 35 H 0.000000 36 H 0.000000 37 H 0.000000 38 H 0.000000 39 H 0.000000 40 H 0.000000 41 H 0.000000 42 H 0.000000 43 H 0.000000 44 C 0.019055 45 H 0.000000 46 H 0.000000 47 H 0.000000 Sum of Mulliken charges= 0.00000 Entering OneElI... OneElI was handed 6082628 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 5573550 working-precision words and 7545 shell-pairs Electronic moments (au): -156.00000000 -0.31482209 0.41731666 1.07273738 -5539.85975980 -1076.34139623 -479.06023186 -12.58091734 2.57793797 -1.15817999 -2727.33032131 -581.76142210 -552.65797918 445.75001838 111.06229917 2891.82844594 62.12824094 416.18734851 90.21755548 -51.70708488 ***************-16706.79868406 -5060.65120897 -3977.20407770 6458.42689306 1212.13564131 -367.58413904 417.40645871 966.78581026-27916.91920186-16827.51262599 -2699.96721205 -1318.19991327 -734.30170311 -280.64590778 Electronic spatial extent (au): = 7095.2614 Nuclear moments (au): 156.00000000 0.00000000 0.00000000 0.00000000 5410.49993630 983.32129681 383.03118917 0.00000000 -0.00010134 0.00007228 2622.98724054 586.88758953 542.22196018 -425.50490017 -66.36788458 -2755.70504254 -71.04613815 -417.31185318 -92.16240925 77.64874305 351879.59869714 12900.16561554 3357.79977352 2784.96236735 -6066.10634737 -1152.41365215 360.14197934 -399.86067513 -959.69812734 24006.76384264 13152.52131925 1754.20820139 1248.56882029 692.57229562 227.99604121 Total moments (au): 0.00000000 -0.31482209 0.41731666 1.07273738 -129.35982350 -93.02009942 -96.02904270 -12.58091734 2.57783663 -1.15810771 -104.34308077 5.12616743 -10.43601900 20.24511821 44.69441459 136.12340340 -8.91789721 -1.12450467 -1.94485378 25.94165817 -24784.34118588 -3806.63306852 -1702.85143545 -1192.24171035 392.32054569 59.72198916 -7.44215970 17.54578358 7.08768293 -3910.15535922 -3674.99130674 -945.75901067 -69.63109298 -41.72940748 -52.64986658 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.8002 Y= 1.0607 Z= 2.7266 Tot= 3.0331 Quadrupole moment (field-independent basis, Debye-Ang): XX= -173.9934 YY= -125.1152 ZZ= -129.1623 XY= -16.9218 XZ= 3.4673 YZ= -1.5577 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -31.2364 YY= 17.6418 ZZ= 13.5946 XY= -16.9218 XZ= 3.4673 YZ= -1.5577 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -74.2674 YYY= 3.6486 ZZZ= -7.4280 XYY= 14.4097 XXY= 31.8118 XXZ= 96.8874 XZZ= -6.3474 YZZ= -0.8004 YYZ= -1.3843 XYZ= 18.4643 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -9334.9706 YYYY= -1433.7604 ZZZZ= -641.3755 XXXY= -449.0554 XXXZ= 147.7667 YYYX= 22.4942 YYYZ= -2.8031 ZZZX= 6.6086 ZZZY= 2.6696 XXYY= -1472.7519 XXZZ= -1384.1778 YYZZ= -356.2182 XXYZ= -26.2264 YYXZ= -15.7173 ZZXY= -19.8305 N-N= 1.783470009899D+03 E-N=-5.629791654083D+03 KE= 8.827735389609D+02 Leave Link 601 at Wed Oct 4 18:20:40 2006, MaxMem= 6291456 cpu: 0.4 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 6 1.50 4 8 1.40 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 6 1.50 14 6 1.50 15 6 1.50 16 6 1.50 17 6 1.50 18 6 1.50 19 8 1.40 20 6 1.50 21 1 1.20 22 1 1.20 23 1 1.20 24 1 1.20 25 1 1.20 26 1 1.20 27 1 1.20 28 1 1.20 29 1 1.20 30 1 1.20 31 1 1.20 32 1 1.20 33 1 1.20 34 1 1.20 35 1 1.20 36 1 1.20 37 1 1.20 38 1 1.20 39 1 1.20 40 1 1.20 41 1 1.20 42 1 1.20 43 1 1.20 44 6 1.50 45 1 1.20 46 1 1.20 47 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 2.509724 -1.363968 -0.658692 Atomic Center 2 is at 4.024972 -1.363024 -0.378158 Atomic Center 3 is at 4.587078 0.047501 -0.365228 Atomic Center 4 is at 5.590346 0.369906 -0.970210 Atomic Center 5 is at 3.792293 1.032448 0.486198 Atomic Center 6 is at 2.290021 0.945084 0.268073 Atomic Center 7 is at 1.583613 2.063065 0.062467 Atomic Center 8 is at 0.093863 2.117607 -0.117049 Atomic Center 9 is at -0.603318 0.810488 0.287766 Atomic Center 10 is at 0.195581 -0.406010 -0.263341 Atomic Center 11 is at 1.666056 -0.455847 0.286990 Atomic Center 12 is at -0.561870 -1.750536 -0.099849 Atomic Center 13 is at -2.026612 -1.720370 -0.584394 Atomic Center 14 is at -2.776805 -0.560318 0.076394 Atomic Center 15 is at -2.037355 0.756250 -0.250655 Atomic Center 16 is at -3.054097 1.865314 0.093459 Atomic Center 17 is at -4.388196 1.272976 -0.418721 Atomic Center 18 is at -4.176168 -0.253931 -0.471369 Atomic Center 19 is at -4.981394 -1.063435 -0.877586 Atomic Center 20 is at -2.982017 -0.812765 1.593715 Atomic Center 21 is at -0.623536 0.763950 1.386106 Atomic Center 22 is at 0.287644 -0.224194 -1.346698 Atomic Center 23 is at -0.552106 -2.055001 0.952151 Atomic Center 24 is at -0.029426 -2.539002 -0.644284 Atomic Center 25 is at -2.514313 -2.678566 -0.369220 Atomic Center 26 is at -2.059009 -1.593011 -1.675100 Atomic Center 27 is at -1.942597 0.771298 -1.351559 Atomic Center 28 is at -2.812481 2.820301 -0.383067 Atomic Center 29 is at -3.090535 2.045186 1.174635 Atomic Center 30 is at -5.261314 1.516031 0.196509 Atomic Center 31 is at -4.621191 1.612343 -1.435846 Atomic Center 32 is at -3.534383 -0.002103 2.080995 Atomic Center 33 is at -2.032336 -0.924399 2.123907 Atomic Center 34 is at -3.559484 -1.733399 1.731096 Atomic Center 35 is at 2.143600 -2.395282 -0.604529 Atomic Center 36 is at 2.350722 -1.028281 -1.692227 Atomic Center 37 is at 4.225694 -1.816062 0.603781 Atomic Center 38 is at 4.567095 -1.950725 -1.124962 Atomic Center 39 is at 4.165454 2.042311 0.295279 Atomic Center 40 is at 2.111761 3.016051 0.025289 Atomic Center 41 is at -0.139412 2.350859 -1.169849 Atomic Center 42 is at -0.313867 2.957584 0.462370 Atomic Center 43 is at 4.032549 0.793506 1.535863 Atomic Center 44 is at 1.717913 -1.013415 1.733326 Atomic Center 45 is at 2.714654 -0.909770 2.172884 Atomic Center 46 is at 1.023768 -0.476678 2.388585 Atomic Center 47 is at 1.463377 -2.078009 1.764664 ESP Fit Center 48 is at 3.265220 -3.018273 -1.708692 ESP Fit Center 49 is at 5.843625 -1.363024 0.671842 ESP Fit Center 50 is at 4.278099 -3.447713 -0.378158 ESP Fit Center 51 is at 5.637078 0.047501 1.453425 ESP Fit Center 52 is at 6.117027 -0.935737 0.684772 ESP Fit Center 53 is at 4.328257 1.847643 -1.415228 ESP Fit Center 54 is at 4.062078 0.956828 -2.183881 ESP Fit Center 55 is at 6.570346 0.369906 0.727200 ESP Fit Center 56 is at 6.080346 1.218611 0.727200 ESP Fit Center 57 is at 7.287756 0.369906 0.009790 ESP Fit Center 58 is at 6.963579 1.367618 0.009790 ESP Fit Center 59 is at 6.114874 1.984239 0.009790 ESP Fit Center 60 is at 6.963579 -0.627806 0.009790 ESP Fit Center 61 is at 7.550346 0.369906 -0.970210 ESP Fit Center 62 is at 7.287756 1.349906 -0.970210 ESP Fit Center 63 is at 6.570346 2.067316 -0.970210 ESP Fit Center 64 is at 5.590346 2.329906 -0.970210 ESP Fit Center 65 is at 6.570346 -1.327504 -0.970210 ESP Fit Center 66 is at 7.287756 -0.610094 -0.970210 ESP Fit Center 67 is at 7.287756 0.369906 -1.950210 ESP Fit Center 68 is at 6.963579 1.367618 -1.950210 ESP Fit Center 69 is at 6.114874 1.984239 -1.950210 ESP Fit Center 70 is at 5.065818 1.984239 -1.950210 ESP Fit Center 71 is at 6.114874 -1.244427 -1.950210 ESP Fit Center 72 is at 6.963579 -0.627806 -1.950210 ESP Fit Center 73 is at 6.570346 0.369906 -2.667620 ESP Fit Center 74 is at 6.080346 1.218611 -2.667620 ESP Fit Center 75 is at 5.100346 1.218611 -2.667620 ESP Fit Center 76 is at 4.610346 0.369906 -2.667620 ESP Fit Center 77 is at 5.100346 -0.478799 -2.667620 ESP Fit Center 78 is at 6.080346 -0.478799 -2.667620 ESP Fit Center 79 is at 5.590346 0.369906 -2.930210 ESP Fit Center 80 is at 5.322242 2.015686 1.536198 ESP Fit Center 81 is at 3.267293 1.941775 -1.332455 ESP Fit Center 82 is at 2.290021 0.945084 2.368073 ESP Fit Center 83 is at 2.290021 0.945084 -1.831927 ESP Fit Center 84 is at 1.583613 2.063065 2.162467 ESP Fit Center 85 is at 2.108613 2.972392 1.881120 ESP Fit Center 86 is at 1.058613 2.972392 1.881120 ESP Fit Center 87 is at 2.633613 2.063065 -1.756186 ESP Fit Center 88 is at 2.108613 2.972392 -1.756186 ESP Fit Center 89 is at 1.583613 2.063065 -2.037533 ESP Fit Center 90 is at 0.849359 3.771912 -1.167049 ESP Fit Center 91 is at -1.271116 -3.374675 -1.634394 ESP Fit Center 92 is at -3.054097 1.865314 -2.006541 ESP Fit Center 93 is at -5.132866 3.236510 -0.418721 ESP Fit Center 94 is at -6.133181 0.760602 -1.468721 ESP Fit Center 95 is at -5.226168 -0.253931 1.347284 ESP Fit Center 96 is at -3.126168 -0.253931 -2.290022 ESP Fit Center 97 is at -4.176168 -0.253931 -2.571369 ESP Fit Center 98 is at -5.961394 -1.063435 0.819824 ESP Fit Center 99 is at -5.471394 -1.912140 0.819824 ESP Fit Center 100 is at -6.354627 -0.065723 0.102414 ESP Fit Center 101 is at -6.678804 -1.063435 0.102414 ESP Fit Center 102 is at -6.354627 -2.061147 0.102414 ESP Fit Center 103 is at -5.505922 -2.677768 0.102414 ESP Fit Center 104 is at -4.456866 -2.677768 0.102414 ESP Fit Center 105 is at -6.678804 -0.083435 -0.877586 ESP Fit Center 106 is at -6.941394 -1.063435 -0.877586 ESP Fit Center 107 is at -6.678804 -2.043435 -0.877586 ESP Fit Center 108 is at -5.961394 -2.760845 -0.877586 ESP Fit Center 109 is at -4.981394 -3.023435 -0.877586 ESP Fit Center 110 is at -6.354627 -0.065723 -1.857586 ESP Fit Center 111 is at -6.678804 -1.063435 -1.857586 ESP Fit Center 112 is at -6.354627 -2.061147 -1.857586 ESP Fit Center 113 is at -5.505922 -2.677768 -1.857586 ESP Fit Center 114 is at -4.456866 -2.677768 -1.857586 ESP Fit Center 115 is at -4.001394 -1.063435 -2.574996 ESP Fit Center 116 is at -4.491394 -0.214730 -2.574996 ESP Fit Center 117 is at -5.471394 -0.214730 -2.574996 ESP Fit Center 118 is at -5.961394 -1.063435 -2.574996 ESP Fit Center 119 is at -5.471394 -1.912140 -2.574996 ESP Fit Center 120 is at -4.491394 -1.912140 -2.574996 ESP Fit Center 121 is at -4.981394 -1.063435 -2.837586 ESP Fit Center 122 is at -2.982017 -0.812765 3.693715 ESP Fit Center 123 is at -2.457017 0.096562 3.412368 ESP Fit Center 124 is at -3.507017 -1.722092 3.412368 ESP Fit Center 125 is at -0.623536 0.763950 3.066106 ESP Fit Center 126 is at -0.318388 1.703099 2.745255 ESP Fit Center 127 is at -1.422423 1.344376 2.745255 ESP Fit Center 128 is at 0.600431 1.790980 1.905255 ESP Fit Center 129 is at -1.422423 2.147664 1.905255 ESP Fit Center 130 is at 1.511611 0.802836 -1.865847 ESP Fit Center 131 is at 1.275123 -0.224194 -2.705847 ESP Fit Center 132 is at 0.592792 0.714955 -2.705847 ESP Fit Center 133 is at -0.511243 0.356232 -2.705847 ESP Fit Center 134 is at -0.511243 -0.804620 -2.705847 ESP Fit Center 135 is at 0.592792 -1.163343 -2.705847 ESP Fit Center 136 is at 0.287644 -0.224194 -3.026698 ESP Fit Center 137 is at -0.552106 -2.055001 2.632151 ESP Fit Center 138 is at -1.350993 -2.635427 2.311300 ESP Fit Center 139 is at -0.246958 -2.994150 2.311300 ESP Fit Center 140 is at -1.350993 -3.438715 1.471300 ESP Fit Center 141 is at -0.274655 -3.628502 1.471300 ESP Fit Center 142 is at -0.828313 -3.922716 -0.125135 ESP Fit Center 143 is at 0.248025 -4.112503 -0.125135 ESP Fit Center 144 is at -0.828313 -3.922716 -1.163433 ESP Fit Center 145 is at 0.248025 -4.112503 -1.163433 ESP Fit Center 146 is at 0.958053 -2.539002 -2.003433 ESP Fit Center 147 is at -0.828313 -3.119428 -2.003433 ESP Fit Center 148 is at 0.275722 -3.478151 -2.003433 ESP Fit Center 149 is at -0.029426 -2.539002 -2.324284 ESP Fit Center 150 is at -3.313200 -3.258992 0.989929 ESP Fit Center 151 is at -2.209165 -3.617715 0.989929 ESP Fit Center 152 is at -4.015730 -3.225037 0.149929 ESP Fit Center 153 is at -3.313200 -4.062280 0.149929 ESP Fit Center 154 is at -2.236862 -4.252067 0.149929 ESP Fit Center 155 is at -1.290346 -3.705596 0.149929 ESP Fit Center 156 is at -4.015730 -3.225037 -0.888369 ESP Fit Center 157 is at -3.313200 -4.062280 -0.888369 ESP Fit Center 158 is at -2.236862 -4.252067 -0.888369 ESP Fit Center 159 is at -1.290346 -3.705596 -0.888369 ESP Fit Center 160 is at -3.313200 -3.258992 -1.728369 ESP Fit Center 161 is at -2.209165 -3.617715 -1.728369 ESP Fit Center 162 is at -0.461234 -1.593011 -2.194249 ESP Fit Center 163 is at -3.560426 -2.139482 -2.194249 ESP Fit Center 164 is at -2.857896 -2.976725 -2.194249 ESP Fit Center 165 is at -1.781558 -3.166512 -2.194249 ESP Fit Center 166 is at -0.835042 -2.620041 -2.194249 ESP Fit Center 167 is at -1.071530 -1.593011 -3.034249 ESP Fit Center 168 is at -1.753861 -0.653862 -3.034249 ESP Fit Center 169 is at -2.857896 -1.012585 -3.034249 ESP Fit Center 170 is at -2.857896 -2.173437 -3.034249 ESP Fit Center 171 is at -1.753861 -2.532160 -3.034249 ESP Fit Center 172 is at -2.059009 -1.593011 -3.355100 ESP Fit Center 173 is at -0.955118 0.771298 -2.710708 ESP Fit Center 174 is at -1.637449 1.710447 -2.710708 ESP Fit Center 175 is at -2.741484 1.351724 -2.710708 ESP Fit Center 176 is at -2.741484 0.190872 -2.710708 ESP Fit Center 177 is at -1.637449 -0.167851 -2.710708 ESP Fit Center 178 is at -1.942597 0.771298 -3.031559 ESP Fit Center 179 is at -2.507333 3.759450 0.976082 ESP Fit Center 180 is at -2.535030 4.393802 0.136082 ESP Fit Center 181 is at -3.611368 4.204015 0.136082 ESP Fit Center 182 is at -1.588514 3.847331 -0.902216 ESP Fit Center 183 is at -2.535030 4.393802 -0.902216 ESP Fit Center 184 is at -3.611368 4.204015 -0.902216 ESP Fit Center 185 is at -4.313898 3.366772 -0.902216 ESP Fit Center 186 is at -1.825002 2.820301 -1.742216 ESP Fit Center 187 is at -2.507333 3.759450 -1.742216 ESP Fit Center 188 is at -3.611368 3.400727 -1.742216 ESP Fit Center 189 is at -2.812481 2.820301 -2.063067 ESP Fit Center 190 is at -3.090535 2.045186 2.854635 ESP Fit Center 191 is at -2.103056 2.045186 2.533784 ESP Fit Center 192 is at -2.785387 2.984335 2.533784 ESP Fit Center 193 is at -3.889422 2.625612 2.533784 ESP Fit Center 194 is at -1.866568 3.072216 1.693784 ESP Fit Center 195 is at -2.813084 3.618687 1.693784 ESP Fit Center 196 is at -3.889422 3.428900 1.693784 ESP Fit Center 197 is at -4.591952 2.591657 1.693784 ESP Fit Center 198 is at -5.261314 1.516031 1.876509 ESP Fit Center 199 is at -4.956166 2.455180 1.555658 ESP Fit Center 200 is at -6.060201 2.096457 1.555658 ESP Fit Center 201 is at -6.060201 0.935605 1.555658 ESP Fit Center 202 is at -4.983863 3.089532 0.715658 ESP Fit Center 203 is at -6.060201 2.899745 0.715658 ESP Fit Center 204 is at -6.762731 2.062502 0.715658 ESP Fit Center 205 is at -6.762731 0.969560 0.715658 ESP Fit Center 206 is at -6.060201 0.132317 0.715658 ESP Fit Center 207 is at -6.060201 2.899745 -0.322640 ESP Fit Center 208 is at -6.762731 2.062502 -0.322640 ESP Fit Center 209 is at -6.762731 0.969560 -0.322640 ESP Fit Center 210 is at -3.397224 2.639373 -1.954995 ESP Fit Center 211 is at -4.343740 3.185844 -1.954995 ESP Fit Center 212 is at -5.420078 2.996057 -1.954995 ESP Fit Center 213 is at -6.122608 2.158814 -1.954995 ESP Fit Center 214 is at -6.122608 1.065872 -1.954995 ESP Fit Center 215 is at -3.633712 1.612343 -2.794995 ESP Fit Center 216 is at -4.316043 2.551492 -2.794995 ESP Fit Center 217 is at -5.420078 2.192769 -2.794995 ESP Fit Center 218 is at -5.420078 1.031917 -2.794995 ESP Fit Center 219 is at -4.316043 0.673194 -2.794995 ESP Fit Center 220 is at -4.621191 1.612343 -3.115846 ESP Fit Center 221 is at -3.534383 -0.002103 3.760995 ESP Fit Center 222 is at -3.229235 0.937046 3.440144 ESP Fit Center 223 is at -4.333270 0.578323 3.440144 ESP Fit Center 224 is at -4.333270 -0.582529 3.440144 ESP Fit Center 225 is at -2.310416 1.024927 2.600144 ESP Fit Center 226 is at -4.333270 1.381611 2.600144 ESP Fit Center 227 is at -5.035800 0.544368 2.600144 ESP Fit Center 228 is at -5.035800 -0.548574 2.600144 ESP Fit Center 229 is at -5.035800 0.544368 1.561846 ESP Fit Center 230 is at -2.032336 -0.924399 3.803907 ESP Fit Center 231 is at -1.044857 -0.924399 3.483056 ESP Fit Center 232 is at -1.727188 0.014750 3.483056 ESP Fit Center 233 is at -1.727188 -1.863548 3.483056 ESP Fit Center 234 is at -1.754885 0.649102 2.643056 ESP Fit Center 235 is at -1.754885 -2.497900 2.643056 ESP Fit Center 236 is at -0.808369 -1.951429 2.643056 ESP Fit Center 237 is at -3.559484 -1.733399 3.411096 ESP Fit Center 238 is at -4.358371 -2.313825 3.090245 ESP Fit Center 239 is at -3.254336 -2.672548 3.090245 ESP Fit Center 240 is at -5.060901 -1.186928 2.250245 ESP Fit Center 241 is at -5.060901 -2.279870 2.250245 ESP Fit Center 242 is at -4.358371 -3.117113 2.250245 ESP Fit Center 243 is at -3.282033 -3.306900 2.250245 ESP Fit Center 244 is at -2.335517 -2.760429 2.250245 ESP Fit Center 245 is at -5.060901 -1.186928 1.211947 ESP Fit Center 246 is at -5.060901 -2.279870 1.211947 ESP Fit Center 247 is at -4.358371 -3.117113 1.211947 ESP Fit Center 248 is at -3.282033 -3.306900 1.211947 ESP Fit Center 249 is at 2.448748 -3.334431 0.754620 ESP Fit Center 250 is at 1.344713 -3.778996 -0.085380 ESP Fit Center 251 is at 2.421051 -3.968783 -0.085380 ESP Fit Center 252 is at 3.367567 -3.422312 -0.085380 ESP Fit Center 253 is at 1.344713 -3.778996 -1.123678 ESP Fit Center 254 is at 2.421051 -3.968783 -1.123678 ESP Fit Center 255 is at 3.367567 -3.422312 -1.123678 ESP Fit Center 256 is at 1.344713 -2.975708 -1.963678 ESP Fit Center 257 is at 2.448748 -3.334431 -1.963678 ESP Fit Center 258 is at 3.574689 -0.001251 -2.211376 ESP Fit Center 259 is at 2.628173 0.545220 -2.211376 ESP Fit Center 260 is at 0.849305 -1.574752 -2.211376 ESP Fit Center 261 is at 1.551835 -2.411995 -2.211376 ESP Fit Center 262 is at 3.338201 -1.028281 -3.051376 ESP Fit Center 263 is at 2.655870 -0.089132 -3.051376 ESP Fit Center 264 is at 1.551835 -0.447855 -3.051376 ESP Fit Center 265 is at 1.551835 -1.608707 -3.051376 ESP Fit Center 266 is at 2.655870 -1.967430 -3.051376 ESP Fit Center 267 is at 2.350722 -1.028281 -3.372227 ESP Fit Center 268 is at 4.225694 -1.816062 2.283781 ESP Fit Center 269 is at 5.213173 -1.816062 1.962930 ESP Fit Center 270 is at 4.530842 -0.876913 1.962930 ESP Fit Center 271 is at 4.530842 -2.755211 1.962930 ESP Fit Center 272 is at 5.823469 -1.816062 1.122930 ESP Fit Center 273 is at 3.426807 -3.199776 1.122930 ESP Fit Center 274 is at 4.503145 -3.389563 1.122930 ESP Fit Center 275 is at 5.449661 -2.843092 1.122930 ESP Fit Center 276 is at 4.503145 -3.389563 0.084632 ESP Fit Center 277 is at 5.449661 -2.843092 0.084632 ESP Fit Center 278 is at 6.164870 -1.950725 -0.605813 ESP Fit Center 279 is at 4.844546 -3.524226 -0.605813 ESP Fit Center 280 is at 5.791062 -2.977755 -0.605813 ESP Fit Center 281 is at 6.164870 -1.950725 -1.644111 ESP Fit Center 282 is at 3.768208 -3.334439 -1.644111 ESP Fit Center 283 is at 4.844546 -3.524226 -1.644111 ESP Fit Center 284 is at 5.791062 -2.977755 -1.644111 ESP Fit Center 285 is at 5.554574 -1.950725 -2.484111 ESP Fit Center 286 is at 4.872243 -1.011576 -2.484111 ESP Fit Center 287 is at 3.768208 -2.531151 -2.484111 ESP Fit Center 288 is at 4.872243 -2.889874 -2.484111 ESP Fit Center 289 is at 4.567095 -1.950725 -2.804962 ESP Fit Center 290 is at 4.470602 2.981460 1.654428 ESP Fit Center 291 is at 5.763229 2.042311 0.814428 ESP Fit Center 292 is at 5.389421 3.069341 0.814428 ESP Fit Center 293 is at 4.442905 3.615812 0.814428 ESP Fit Center 294 is at 5.389421 3.069341 -0.223870 ESP Fit Center 295 is at 4.442905 3.615812 -0.223870 ESP Fit Center 296 is at 4.470602 2.981460 -1.063870 ESP Fit Center 297 is at 3.366567 2.622737 -1.063870 ESP Fit Center 298 is at 4.165454 2.042311 -1.384721 ESP Fit Center 299 is at 3.099240 3.016051 1.384438 ESP Fit Center 300 is at 2.416909 3.955200 1.384438 ESP Fit Center 301 is at 3.335728 4.043081 0.544438 ESP Fit Center 302 is at 2.389212 4.589552 0.544438 ESP Fit Center 303 is at 1.312874 4.399765 0.544438 ESP Fit Center 304 is at 3.335728 4.043081 -0.493860 ESP Fit Center 305 is at 2.389212 4.589552 -0.493860 ESP Fit Center 306 is at 1.312874 4.399765 -0.493860 ESP Fit Center 307 is at 3.099240 3.016051 -1.333860 ESP Fit Center 308 is at 2.416909 3.955200 -1.333860 ESP Fit Center 309 is at 1.084555 3.377889 -1.688998 ESP Fit Center 310 is at 0.138039 3.924360 -1.688998 ESP Fit Center 311 is at -0.938299 3.734573 -1.688998 ESP Fit Center 312 is at -1.640829 2.897330 -1.688998 ESP Fit Center 313 is at 0.848067 2.350859 -2.528998 ESP Fit Center 314 is at 0.165736 3.290008 -2.528998 ESP Fit Center 315 is at -0.938299 2.931285 -2.528998 ESP Fit Center 316 is at -0.938299 1.770433 -2.528998 ESP Fit Center 317 is at 0.165736 1.411710 -2.528998 ESP Fit Center 318 is at -0.139412 2.350859 -2.849849 ESP Fit Center 319 is at -0.313867 2.957584 2.142370 ESP Fit Center 320 is at 0.673612 2.957584 1.821519 ESP Fit Center 321 is at -0.008719 3.896733 1.821519 ESP Fit Center 322 is at -1.112754 3.538010 1.821519 ESP Fit Center 323 is at -1.112754 2.377158 1.821519 ESP Fit Center 324 is at 0.910100 3.984614 0.981519 ESP Fit Center 325 is at -0.036416 4.531085 0.981519 ESP Fit Center 326 is at -1.112754 4.341298 0.981519 ESP Fit Center 327 is at -1.815284 3.504055 0.981519 ESP Fit Center 328 is at -0.036416 4.531085 -0.056779 ESP Fit Center 329 is at -1.112754 4.341298 -0.056779 ESP Fit Center 330 is at 4.032549 0.793506 3.215863 ESP Fit Center 331 is at 5.020028 0.793506 2.895012 ESP Fit Center 332 is at 4.337697 1.732655 2.895012 ESP Fit Center 333 is at 3.233662 1.373932 2.895012 ESP Fit Center 334 is at 4.337697 -0.145643 2.895012 ESP Fit Center 335 is at 5.630324 0.793506 2.055012 ESP Fit Center 336 is at 5.256516 1.820536 2.055012 ESP Fit Center 337 is at 4.310000 2.367007 2.055012 ESP Fit Center 338 is at 5.256516 -0.233524 2.055012 ESP Fit Center 339 is at 1.717913 -1.013415 3.833326 ESP Fit Center 340 is at 1.192913 -1.922742 3.551979 ESP Fit Center 341 is at 2.242913 -1.922742 3.551979 ESP Fit Center 342 is at 2.473409 0.640890 2.783326 ESP Fit Center 343 is at 2.714654 -0.909770 3.852884 ESP Fit Center 344 is at 3.702133 -0.909770 3.532033 ESP Fit Center 345 is at 3.019802 0.029379 3.532033 ESP Fit Center 346 is at 3.019802 -1.848919 3.532033 ESP Fit Center 347 is at 4.312429 -0.909770 2.692033 ESP Fit Center 348 is at 2.992105 -2.483271 2.692033 ESP Fit Center 349 is at 3.938621 -1.936800 2.692033 ESP Fit Center 350 is at 1.023768 -0.476678 4.068585 ESP Fit Center 351 is at 2.011247 -0.476678 3.747734 ESP Fit Center 352 is at 1.328916 0.462471 3.747734 ESP Fit Center 353 is at 0.224881 0.103748 3.747734 ESP Fit Center 354 is at 0.224881 -1.057104 3.747734 ESP Fit Center 355 is at 1.301219 1.096823 2.907734 ESP Fit Center 356 is at 0.224881 0.907036 2.907734 ESP Fit Center 357 is at -0.477649 -1.023149 2.907734 ESP Fit Center 358 is at 0.664490 -2.658435 3.123813 ESP Fit Center 359 is at 1.768525 -3.017158 3.123813 ESP Fit Center 360 is at 0.664490 -3.461723 2.283813 ESP Fit Center 361 is at 1.740828 -3.651510 2.283813 ESP Fit Center 362 is at 2.687344 -3.105039 2.283813 ESP Fit Center 363 is at 0.664490 -3.461723 1.245515 ESP Fit Center 364 is at 1.740828 -3.651510 1.245515 ESP Fit Center 365 is at 2.687344 -3.105039 1.245515 ESP Fit Center 366 is at 3.289207 -3.070797 -2.155068 ESP Fit Center 367 is at 3.504312 -3.644187 0.155892 ESP Fit Center 368 is at 6.133083 -2.378237 0.155892 ESP Fit Center 369 is at 6.463474 0.047501 1.131148 ESP Fit Center 370 is at 6.165602 1.061957 1.131148 ESP Fit Center 371 is at 6.165602 -0.966955 1.131148 ESP Fit Center 372 is at 3.358300 1.465586 -1.861604 ESP Fit Center 373 is at 4.066418 0.949311 -2.527553 ESP Fit Center 374 is at 6.562246 0.369906 1.047960 ESP Fit Center 375 is at 7.341649 0.369906 0.426407 ESP Fit Center 376 is at 7.007180 1.399296 0.426407 ESP Fit Center 377 is at 6.131528 2.035494 0.426407 ESP Fit Center 378 is at 7.007180 -0.659484 0.426407 ESP Fit Center 379 is at 7.774185 0.369906 -0.471763 ESP Fit Center 380 is at 7.524039 1.384786 -0.471763 ESP Fit Center 381 is at 6.830908 2.167170 -0.471763 ESP Fit Center 382 is at 6.830908 -1.427358 -0.471763 ESP Fit Center 383 is at 7.524039 -0.644974 -0.471763 ESP Fit Center 384 is at 7.774185 0.369906 -1.468657 ESP Fit Center 385 is at 7.524039 1.384786 -1.468657 ESP Fit Center 386 is at 6.830908 2.167170 -1.468657 ESP Fit Center 387 is at 5.853579 2.537822 -1.468657 ESP Fit Center 388 is at 6.830908 -1.427358 -1.468657 ESP Fit Center 389 is at 7.524039 -0.644974 -1.468657 ESP Fit Center 390 is at 7.341649 0.369906 -2.366827 ESP Fit Center 391 is at 7.007180 1.399296 -2.366827 ESP Fit Center 392 is at 6.131528 2.035494 -2.366827 ESP Fit Center 393 is at 5.049164 2.035494 -2.366827 ESP Fit Center 394 is at 4.173512 1.399296 -2.366827 ESP Fit Center 395 is at 6.131528 -1.295682 -2.366827 ESP Fit Center 396 is at 7.007180 -0.659484 -2.366827 ESP Fit Center 397 is at 6.562246 0.369906 -2.988380 ESP Fit Center 398 is at 6.076296 1.211596 -2.988380 ESP Fit Center 399 is at 5.104396 1.211596 -2.988380 ESP Fit Center 400 is at 4.618446 0.369906 -2.988380 ESP Fit Center 401 is at 5.104396 -0.471784 -2.988380 ESP Fit Center 402 is at 6.076296 -0.471784 -2.988380 ESP Fit Center 403 is at 5.590346 0.369906 -3.210210 ESP Fit Center 404 is at 3.525254 2.889745 1.982574 ESP Fit Center 405 is at 2.290021 0.945084 -2.131927 ESP Fit Center 406 is at 1.583613 2.063065 2.462467 ESP Fit Center 407 is at 2.104273 2.964875 2.224792 ESP Fit Center 408 is at 1.062953 2.964875 2.224792 ESP Fit Center 409 is at 1.316574 3.920362 1.558843 ESP Fit Center 410 is at 2.624934 2.063065 -2.099858 ESP Fit Center 411 is at 2.104273 2.964875 -2.099858 ESP Fit Center 412 is at 1.583613 2.063065 -2.337533 ESP Fit Center 413 is at 0.614523 4.398770 -0.651099 ESP Fit Center 414 is at -1.082530 -4.031699 0.434201 ESP Fit Center 415 is at -3.255390 -3.138455 -2.080770 ESP Fit Center 416 is at -2.293651 -3.577667 -2.080770 ESP Fit Center 417 is at -1.247129 -3.427199 -2.080770 ESP Fit Center 418 is at -4.512955 3.694664 0.627509 ESP Fit Center 419 is at -4.908856 3.554139 0.115329 ESP Fit Center 420 is at -4.908856 3.554139 -0.952771 ESP Fit Center 421 is at -5.847054 3.102326 -0.952771 ESP Fit Center 422 is at -3.134847 -0.253931 -2.633694 ESP Fit Center 423 is at -4.176168 -0.253931 -2.871369 ESP Fit Center 424 is at -5.953294 -1.063435 1.140584 ESP Fit Center 425 is at -5.467344 -1.905125 1.140584 ESP Fit Center 426 is at -6.398228 -0.034045 0.519031 ESP Fit Center 427 is at -6.732697 -1.063435 0.519031 ESP Fit Center 428 is at -6.398228 -2.092825 0.519031 ESP Fit Center 429 is at -5.522576 -2.729023 0.519031 ESP Fit Center 430 is at -7.101774 -0.540808 -0.379139 ESP Fit Center 431 is at -7.101774 -1.586062 -0.379139 ESP Fit Center 432 is at -6.616021 -2.511588 -0.379139 ESP Fit Center 433 is at -5.755794 -3.105359 -0.379139 ESP Fit Center 434 is at -4.718161 -3.231351 -0.379139 ESP Fit Center 435 is at -6.616021 0.384718 -1.376033 ESP Fit Center 436 is at -7.101774 -0.540808 -1.376033 ESP Fit Center 437 is at -7.101774 -1.586062 -1.376033 ESP Fit Center 438 is at -6.616021 -2.511588 -1.376033 ESP Fit Center 439 is at -5.755794 -3.105359 -1.376033 ESP Fit Center 440 is at -4.718161 -3.231351 -1.376033 ESP Fit Center 441 is at -6.398228 -0.034045 -2.274203 ESP Fit Center 442 is at -6.732697 -1.063435 -2.274203 ESP Fit Center 443 is at -6.398228 -2.092825 -2.274203 ESP Fit Center 444 is at -5.522576 -2.729023 -2.274203 ESP Fit Center 445 is at -4.440212 -2.729023 -2.274203 ESP Fit Center 446 is at -4.009494 -1.063435 -2.895756 ESP Fit Center 447 is at -4.495444 -0.221745 -2.895756 ESP Fit Center 448 is at -5.467344 -0.221745 -2.895756 ESP Fit Center 449 is at -5.953294 -1.063435 -2.895756 ESP Fit Center 450 is at -5.467344 -1.905125 -2.895756 ESP Fit Center 451 is at -4.495444 -1.905125 -2.895756 ESP Fit Center 452 is at -4.981394 -1.063435 -3.117586 ESP Fit Center 453 is at -2.982017 -0.812765 3.993715 ESP Fit Center 454 is at -2.461357 0.089045 3.756040 ESP Fit Center 455 is at -4.023338 -0.812765 3.756040 ESP Fit Center 456 is at -3.502677 -1.714575 3.756040 ESP Fit Center 457 is at -5.321844 -0.812765 2.127765 ESP Fit Center 458 is at -0.623536 0.763950 3.306106 ESP Fit Center 459 is at -0.143536 1.595334 3.048875 ESP Fit Center 460 is at -1.103536 1.595334 3.048875 ESP Fit Center 461 is at -1.583536 0.763950 3.048875 ESP Fit Center 462 is at 0.721672 1.741301 2.346106 ESP Fit Center 463 is at -0.109712 2.345337 2.346106 ESP Fit Center 464 is at -1.137360 2.345337 2.346106 ESP Fit Center 465 is at 1.632852 0.753157 -2.306698 ESP Fit Center 466 is at 0.767644 0.607190 -3.009467 ESP Fit Center 467 is at -0.192356 0.607190 -3.009467 ESP Fit Center 468 is at -0.672356 -0.224194 -3.009467 ESP Fit Center 469 is at -0.192356 -1.055578 -3.009467 ESP Fit Center 470 is at 0.767644 -1.055578 -3.009467 ESP Fit Center 471 is at 0.287644 -0.224194 -3.266698 ESP Fit Center 472 is at -0.552106 -2.055001 2.872151 ESP Fit Center 473 is at -1.032106 -2.886385 2.614920 ESP Fit Center 474 is at -0.072106 -2.886385 2.614920 ESP Fit Center 475 is at -1.897314 -3.032352 1.912151 ESP Fit Center 476 is at -1.065930 -3.636388 1.912151 ESP Fit Center 477 is at -0.038282 -3.636388 1.912151 ESP Fit Center 478 is at -1.512106 -3.717770 0.952151 ESP Fit Center 479 is at -0.552106 -3.975001 0.952151 ESP Fit Center 480 is at 0.407894 -3.717770 0.952151 ESP Fit Center 481 is at -0.543250 -4.120389 0.315716 ESP Fit Center 482 is at 0.484398 -4.120389 0.315716 ESP Fit Center 483 is at -0.989426 -4.201771 -0.644284 ESP Fit Center 484 is at -0.029426 -4.459002 -0.644284 ESP Fit Center 485 is at 0.930574 -4.201771 -0.644284 ESP Fit Center 486 is at -0.543250 -4.120389 -1.604284 ESP Fit Center 487 is at 0.484398 -4.120389 -1.604284 ESP Fit Center 488 is at 0.930574 -2.539002 -2.307053 ESP Fit Center 489 is at -0.509426 -3.370386 -2.307053 ESP Fit Center 490 is at 0.450574 -3.370386 -2.307053 ESP Fit Center 491 is at -0.029426 -2.539002 -2.564284 ESP Fit Center 492 is at -2.034313 -3.509950 1.293549 ESP Fit Center 493 is at -3.859521 -3.655917 0.590780 ESP Fit Center 494 is at -3.028137 -4.259953 0.590780 ESP Fit Center 495 is at -2.000489 -4.259953 0.590780 ESP Fit Center 496 is at -4.177082 -3.638566 -0.369220 ESP Fit Center 497 is at -3.474313 -4.341335 -0.369220 ESP Fit Center 498 is at -2.514313 -4.598566 -0.369220 ESP Fit Center 499 is at -1.554313 -4.341335 -0.369220 ESP Fit Center 500 is at -3.859521 -3.655917 -1.329220 ESP Fit Center 501 is at -3.028137 -4.259953 -1.329220 ESP Fit Center 502 is at -2.000489 -4.259953 -1.329220 ESP Fit Center 503 is at -2.994313 -3.509950 -2.031989 ESP Fit Center 504 is at -0.396240 -1.593011 -2.635100 ESP Fit Center 505 is at -3.404217 -2.570362 -2.635100 ESP Fit Center 506 is at -2.572833 -3.174398 -2.635100 ESP Fit Center 507 is at -1.545185 -3.174398 -2.635100 ESP Fit Center 508 is at -0.713801 -2.570362 -2.635100 ESP Fit Center 509 is at -1.099009 -1.593011 -3.337869 ESP Fit Center 510 is at -1.579009 -0.761627 -3.337869 ESP Fit Center 511 is at -2.539009 -0.761627 -3.337869 ESP Fit Center 512 is at -3.019009 -1.593011 -3.337869 ESP Fit Center 513 is at -2.539009 -2.424395 -3.337869 ESP Fit Center 514 is at -1.579009 -2.424395 -3.337869 ESP Fit Center 515 is at -2.059009 -1.593011 -3.595100 ESP Fit Center 516 is at -2.456421 2.352685 -2.311559 ESP Fit Center 517 is at -0.982597 0.771298 -3.014328 ESP Fit Center 518 is at -1.462597 1.602682 -3.014328 ESP Fit Center 519 is at -2.422597 1.602682 -3.014328 ESP Fit Center 520 is at -2.902597 0.771298 -3.014328 ESP Fit Center 521 is at -2.422597 -0.060086 -3.014328 ESP Fit Center 522 is at -1.462597 -0.060086 -3.014328 ESP Fit Center 523 is at -1.942597 0.771298 -3.271559 ESP Fit Center 524 is at -2.298657 4.401688 0.576933 ESP Fit Center 525 is at -3.326305 4.401688 0.576933 ESP Fit Center 526 is at -1.852481 4.483070 -0.383067 ESP Fit Center 527 is at -2.812481 4.740301 -0.383067 ESP Fit Center 528 is at -3.772481 4.483070 -0.383067 ESP Fit Center 529 is at -4.475250 3.780301 -0.383067 ESP Fit Center 530 is at -1.467273 3.797652 -1.343067 ESP Fit Center 531 is at -2.298657 4.401688 -1.343067 ESP Fit Center 532 is at -3.326305 4.401688 -1.343067 ESP Fit Center 533 is at -4.157689 3.797652 -1.343067 ESP Fit Center 534 is at -1.852481 2.820301 -2.045836 ESP Fit Center 535 is at -2.332481 3.651685 -2.045836 ESP Fit Center 536 is at -3.292481 3.651685 -2.045836 ESP Fit Center 537 is at -2.812481 2.820301 -2.303067 ESP Fit Center 538 is at -3.090535 2.045186 3.094635 ESP Fit Center 539 is at -2.130535 2.045186 2.837404 ESP Fit Center 540 is at -2.610535 2.876570 2.837404 ESP Fit Center 541 is at -3.570535 2.876570 2.837404 ESP Fit Center 542 is at -4.050535 2.045186 2.837404 ESP Fit Center 543 is at -1.745327 3.022537 2.134635 ESP Fit Center 544 is at -2.576711 3.626573 2.134635 ESP Fit Center 545 is at -3.604359 3.626573 2.134635 ESP Fit Center 546 is at -4.435743 3.022537 2.134635 ESP Fit Center 547 is at -4.753304 2.045186 2.134635 ESP Fit Center 548 is at -5.261314 1.516031 2.116509 ESP Fit Center 549 is at -5.741314 2.347415 1.859278 ESP Fit Center 550 is at -6.221314 1.516031 1.859278 ESP Fit Center 551 is at -5.741314 0.684647 1.859278 ESP Fit Center 552 is at -5.775138 3.097418 1.156509 ESP Fit Center 553 is at -6.606522 2.493382 1.156509 ESP Fit Center 554 is at -6.924083 1.516031 1.156509 ESP Fit Center 555 is at -6.606522 0.538680 1.156509 ESP Fit Center 556 is at -5.261314 3.436031 0.196509 ESP Fit Center 557 is at -6.221314 3.178800 0.196509 ESP Fit Center 558 is at -6.924083 2.476031 0.196509 ESP Fit Center 559 is at -7.181314 1.516031 0.196509 ESP Fit Center 560 is at -6.924083 0.556031 0.196509 ESP Fit Center 561 is at -6.606522 2.493382 -0.763491 ESP Fit Center 562 is at -6.924083 1.516031 -0.763491 ESP Fit Center 563 is at -4.621191 3.532343 -1.435846 ESP Fit Center 564 is at -5.581191 3.275112 -1.435846 ESP Fit Center 565 is at -6.283960 2.572343 -1.435846 ESP Fit Center 566 is at -6.541191 1.612343 -1.435846 ESP Fit Center 567 is at -3.275983 2.589694 -2.395846 ESP Fit Center 568 is at -4.107367 3.193730 -2.395846 ESP Fit Center 569 is at -5.135015 3.193730 -2.395846 ESP Fit Center 570 is at -5.966399 2.589694 -2.395846 ESP Fit Center 571 is at -6.283960 1.612343 -2.395846 ESP Fit Center 572 is at -5.966399 0.634992 -2.395846 ESP Fit Center 573 is at -3.661191 1.612343 -3.098615 ESP Fit Center 574 is at -4.141191 2.443727 -3.098615 ESP Fit Center 575 is at -5.101191 2.443727 -3.098615 ESP Fit Center 576 is at -5.581191 1.612343 -3.098615 ESP Fit Center 577 is at -5.101191 0.780959 -3.098615 ESP Fit Center 578 is at -4.141191 0.780959 -3.098615 ESP Fit Center 579 is at -4.621191 1.612343 -3.355846 ESP Fit Center 580 is at -3.534383 -0.002103 4.000995 ESP Fit Center 581 is at -3.054383 0.829281 3.743764 ESP Fit Center 582 is at -4.014383 0.829281 3.743764 ESP Fit Center 583 is at -4.494383 -0.002103 3.743764 ESP Fit Center 584 is at -2.189175 0.975248 3.040995 ESP Fit Center 585 is at -3.020559 1.579284 3.040995 ESP Fit Center 586 is at -4.048207 1.579284 3.040995 ESP Fit Center 587 is at -4.879591 0.975248 3.040995 ESP Fit Center 588 is at -5.197152 -0.002103 3.040995 ESP Fit Center 589 is at -5.197152 0.957897 2.080995 ESP Fit Center 590 is at -5.454383 -0.002103 2.080995 ESP Fit Center 591 is at -2.032336 -0.924399 4.043907 ESP Fit Center 592 is at -1.072336 -0.924399 3.786676 ESP Fit Center 593 is at -1.552336 -0.093015 3.786676 ESP Fit Center 594 is at -2.512336 -1.755783 3.786676 ESP Fit Center 595 is at -1.552336 -1.755783 3.786676 ESP Fit Center 596 is at -1.518512 0.656988 3.083907 ESP Fit Center 597 is at -1.518512 -2.505786 3.083907 ESP Fit Center 598 is at -0.687128 -1.901750 3.083907 ESP Fit Center 599 is at -4.519484 -1.733399 3.393865 ESP Fit Center 600 is at -4.039484 -2.564783 3.393865 ESP Fit Center 601 is at -3.079484 -2.564783 3.393865 ESP Fit Center 602 is at -5.222253 -1.733399 2.691096 ESP Fit Center 603 is at -4.904692 -2.710750 2.691096 ESP Fit Center 604 is at -4.073308 -3.314786 2.691096 ESP Fit Center 605 is at -3.045660 -3.314786 2.691096 ESP Fit Center 606 is at -5.479484 -1.733399 1.731096 ESP Fit Center 607 is at -5.222253 -2.693399 1.731096 ESP Fit Center 608 is at -4.519484 -3.396168 1.731096 ESP Fit Center 609 is at -3.559484 -3.653399 1.731096 ESP Fit Center 610 is at -2.599484 -3.396168 1.731096 ESP Fit Center 611 is at -4.904692 -2.710750 0.771096 ESP Fit Center 612 is at -4.073308 -3.314786 0.771096 ESP Fit Center 613 is at 1.629776 -3.976669 0.355471 ESP Fit Center 614 is at 2.657424 -3.976669 0.355471 ESP Fit Center 615 is at 1.183600 -4.058051 -0.604529 ESP Fit Center 616 is at 2.143600 -4.315282 -0.604529 ESP Fit Center 617 is at 3.103600 -4.058051 -0.604529 ESP Fit Center 618 is at 1.629776 -3.976669 -1.564529 ESP Fit Center 619 is at 2.657424 -3.976669 -1.564529 ESP Fit Center 620 is at 1.663600 -3.226666 -2.267298 ESP Fit Center 621 is at 2.623600 -3.226666 -2.267298 ESP Fit Center 622 is at 3.695930 -0.050930 -2.652227 ESP Fit Center 623 is at 2.864546 0.553106 -2.652227 ESP Fit Center 624 is at 1.836898 0.553106 -2.652227 ESP Fit Center 625 is at 1.005514 -2.005632 -2.652227 ESP Fit Center 626 is at 1.836898 -2.609668 -2.652227 ESP Fit Center 627 is at 3.310722 -1.028281 -3.354996 ESP Fit Center 628 is at 2.830722 -0.196897 -3.354996 ESP Fit Center 629 is at 1.870722 -0.196897 -3.354996 ESP Fit Center 630 is at 1.390722 -1.028281 -3.354996 ESP Fit Center 631 is at 1.870722 -1.859665 -3.354996 ESP Fit Center 632 is at 2.830722 -1.859665 -3.354996 ESP Fit Center 633 is at 2.350722 -1.028281 -3.612227 ESP Fit Center 634 is at 5.185694 -1.816062 2.266550 ESP Fit Center 635 is at 4.705694 -0.984678 2.266550 ESP Fit Center 636 is at 3.745694 -2.647446 2.266550 ESP Fit Center 637 is at 4.705694 -2.647446 2.266550 ESP Fit Center 638 is at 5.888463 -1.816062 1.563781 ESP Fit Center 639 is at 3.711870 -3.397449 1.563781 ESP Fit Center 640 is at 4.739518 -3.397449 1.563781 ESP Fit Center 641 is at 5.570902 -2.793413 1.563781 ESP Fit Center 642 is at 3.265694 -3.478831 0.603781 ESP Fit Center 643 is at 4.225694 -3.736062 0.603781 ESP Fit Center 644 is at 5.185694 -3.478831 0.603781 ESP Fit Center 645 is at 5.888463 -2.776062 0.603781 ESP Fit Center 646 is at 5.080919 -3.532112 -0.164962 ESP Fit Center 647 is at 5.912303 -2.928076 -0.164962 ESP Fit Center 648 is at 6.487095 -1.950725 -1.124962 ESP Fit Center 649 is at 3.607095 -3.613494 -1.124962 ESP Fit Center 650 is at 4.567095 -3.870725 -1.124962 ESP Fit Center 651 is at 5.527095 -3.613494 -1.124962 ESP Fit Center 652 is at 6.229864 -2.910725 -1.124962 ESP Fit Center 653 is at 6.229864 -1.950725 -2.084962 ESP Fit Center 654 is at 4.053271 -3.532112 -2.084962 ESP Fit Center 655 is at 5.080919 -3.532112 -2.084962 ESP Fit Center 656 is at 5.912303 -2.928076 -2.084962 ESP Fit Center 657 is at 5.527095 -1.950725 -2.787731 ESP Fit Center 658 is at 5.047095 -1.119341 -2.787731 ESP Fit Center 659 is at 4.087095 -1.119341 -2.787731 ESP Fit Center 660 is at 4.087095 -2.782109 -2.787731 ESP Fit Center 661 is at 5.047095 -2.782109 -2.787731 ESP Fit Center 662 is at 4.567095 -1.950725 -3.044962 ESP Fit Center 663 is at 4.645454 2.873695 1.958048 ESP Fit Center 664 is at 5.510662 3.019662 1.255279 ESP Fit Center 665 is at 4.679278 3.623698 1.255279 ESP Fit Center 666 is at 3.651630 3.623698 1.255279 ESP Fit Center 667 is at 5.828223 3.002311 0.295279 ESP Fit Center 668 is at 5.125454 3.705080 0.295279 ESP Fit Center 669 is at 4.165454 3.962311 0.295279 ESP Fit Center 670 is at 5.510662 3.019662 -0.664721 ESP Fit Center 671 is at 4.679278 3.623698 -0.664721 ESP Fit Center 672 is at 4.645454 2.873695 -1.367490 ESP Fit Center 673 is at 3.685454 2.873695 -1.367490 ESP Fit Center 674 is at 3.071761 3.016051 1.688058 ESP Fit Center 675 is at 2.591761 3.847435 1.688058 ESP Fit Center 676 is at 1.631761 3.847435 1.688058 ESP Fit Center 677 is at 3.456969 3.993402 0.985289 ESP Fit Center 678 is at 2.625585 4.597438 0.985289 ESP Fit Center 679 is at 1.597937 4.597438 0.985289 ESP Fit Center 680 is at 3.774530 3.976051 0.025289 ESP Fit Center 681 is at 3.071761 4.678820 0.025289 ESP Fit Center 682 is at 2.111761 4.936051 0.025289 ESP Fit Center 683 is at 1.151761 4.678820 0.025289 ESP Fit Center 684 is at 3.456969 3.993402 -0.934711 ESP Fit Center 685 is at 2.625585 4.597438 -0.934711 ESP Fit Center 686 is at 1.597937 4.597438 -0.934711 ESP Fit Center 687 is at 3.071761 3.016051 -1.637480 ESP Fit Center 688 is at 2.591761 3.847435 -1.637480 ESP Fit Center 689 is at 1.631761 3.847435 -1.637480 ESP Fit Center 690 is at -0.139412 4.270859 -1.169849 ESP Fit Center 691 is at -1.099412 4.013628 -1.169849 ESP Fit Center 692 is at 1.205796 3.328210 -2.129849 ESP Fit Center 693 is at 0.374412 3.932246 -2.129849 ESP Fit Center 694 is at -0.653236 3.932246 -2.129849 ESP Fit Center 695 is at -1.484620 3.328210 -2.129849 ESP Fit Center 696 is at 0.820588 2.350859 -2.832618 ESP Fit Center 697 is at 0.340588 3.182243 -2.832618 ESP Fit Center 698 is at -0.619412 3.182243 -2.832618 ESP Fit Center 699 is at -1.099412 2.350859 -2.832618 ESP Fit Center 700 is at -0.619412 1.519475 -2.832618 ESP Fit Center 701 is at 0.340588 1.519475 -2.832618 ESP Fit Center 702 is at -0.139412 2.350859 -3.089849 ESP Fit Center 703 is at -0.313867 2.957584 2.382370 ESP Fit Center 704 is at 0.646133 2.957584 2.125139 ESP Fit Center 705 is at 0.166133 3.788968 2.125139 ESP Fit Center 706 is at -0.793867 3.788968 2.125139 ESP Fit Center 707 is at -1.273867 2.957584 2.125139 ESP Fit Center 708 is at 0.199957 4.538971 1.422370 ESP Fit Center 709 is at -0.827691 4.538971 1.422370 ESP Fit Center 710 is at -1.659075 3.934935 1.422370 ESP Fit Center 711 is at 0.646133 4.620353 0.462370 ESP Fit Center 712 is at -0.313867 4.877584 0.462370 ESP Fit Center 713 is at -1.273867 4.620353 0.462370 ESP Fit Center 714 is at 0.199957 4.538971 -0.497630 ESP Fit Center 715 is at -0.827691 4.538971 -0.497630 ESP Fit Center 716 is at 4.032549 0.793506 3.455863 ESP Fit Center 717 is at 4.992549 0.793506 3.198632 ESP Fit Center 718 is at 4.512549 1.624890 3.198632 ESP Fit Center 719 is at 3.552549 1.624890 3.198632 ESP Fit Center 720 is at 3.072549 0.793506 3.198632 ESP Fit Center 721 is at 4.512549 -0.037878 3.198632 ESP Fit Center 722 is at 5.695318 0.793506 2.495863 ESP Fit Center 723 is at 5.377757 1.770857 2.495863 ESP Fit Center 724 is at 4.546373 2.374893 2.495863 ESP Fit Center 725 is at 3.518725 2.374893 2.495863 ESP Fit Center 726 is at 2.687341 1.770857 2.495863 ESP Fit Center 727 is at 5.377757 -0.183845 2.495863 ESP Fit Center 728 is at 5.952549 0.793506 1.535863 ESP Fit Center 729 is at 1.717913 -1.013415 4.133326 ESP Fit Center 730 is at 2.238573 -0.111605 3.895651 ESP Fit Center 731 is at 1.197253 -1.915225 3.895651 ESP Fit Center 732 is at 2.238573 -1.915225 3.895651 ESP Fit Center 733 is at 2.497396 0.693414 3.229702 ESP Fit Center 734 is at 3.176771 -2.842765 2.267376 ESP Fit Center 735 is at 2.714654 -0.909770 4.092884 ESP Fit Center 736 is at 3.674654 -0.909770 3.835653 ESP Fit Center 737 is at 3.194654 -0.078386 3.835653 ESP Fit Center 738 is at 3.194654 -1.741154 3.835653 ESP Fit Center 739 is at 4.377423 -0.909770 3.132884 ESP Fit Center 740 is at 3.228478 -2.491157 3.132884 ESP Fit Center 741 is at 4.059862 -1.887121 3.132884 ESP Fit Center 742 is at 1.023768 -0.476678 4.308585 ESP Fit Center 743 is at 1.503768 0.354706 4.051354 ESP Fit Center 744 is at 0.543768 0.354706 4.051354 ESP Fit Center 745 is at 0.063768 -0.476678 4.051354 ESP Fit Center 746 is at 0.543768 -1.308062 4.051354 ESP Fit Center 747 is at 1.537592 1.104709 3.348585 ESP Fit Center 748 is at 0.509944 1.104709 3.348585 ESP Fit Center 749 is at -0.321440 0.500673 3.348585 ESP Fit Center 750 is at -0.321440 -1.454029 3.348585 ESP Fit Center 751 is at 1.023768 1.443322 2.388585 ESP Fit Center 752 is at 0.983377 -2.909393 3.427433 ESP Fit Center 753 is at 1.943377 -2.909393 3.427433 ESP Fit Center 754 is at 0.118169 -3.055360 2.724664 ESP Fit Center 755 is at 0.949553 -3.659396 2.724664 ESP Fit Center 756 is at 1.977201 -3.659396 2.724664 ESP Fit Center 757 is at 2.808585 -3.055360 2.724664 ESP Fit Center 758 is at 0.503377 -3.740778 1.764664 ESP Fit Center 759 is at 1.463377 -3.998009 1.764664 ESP Fit Center 760 is at 2.423377 -3.740778 1.764664 ESP Fit Center 761 is at 3.126146 -3.038009 1.764664 ESP Fit Center 762 is at 0.949553 -3.659396 0.804664 ESP Fit Center 763 is at 1.259472 -2.806836 -2.567880 ESP Fit Center 764 is at 3.302829 -3.100627 -2.567880 ESP Fit Center 765 is at 4.024972 -4.063024 -0.378158 ESP Fit Center 766 is at 6.496266 0.047501 1.543960 ESP Fit Center 767 is at 6.193189 -0.984684 1.543960 ESP Fit Center 768 is at 3.336826 1.490369 -2.274416 ESP Fit Center 769 is at 7.560561 0.369906 0.600984 ESP Fit Center 770 is at 7.247797 1.435085 0.600984 ESP Fit Center 771 is at 6.408803 2.162077 0.600984 ESP Fit Center 772 is at 7.247797 -0.695273 0.600984 ESP Fit Center 773 is at 8.047164 0.369906 -0.409457 ESP Fit Center 774 is at 7.803863 1.435880 -0.409457 ESP Fit Center 775 is at 7.122147 2.290724 -0.409457 ESP Fit Center 776 is at 6.137040 2.765127 -0.409457 ESP Fit Center 777 is at 7.122147 -1.550912 -0.409457 ESP Fit Center 778 is at 7.803863 -0.696068 -0.409457 ESP Fit Center 779 is at 8.047164 0.369906 -1.530963 ESP Fit Center 780 is at 7.803863 1.435880 -1.530963 ESP Fit Center 781 is at 7.122147 2.290724 -1.530963 ESP Fit Center 782 is at 6.137040 2.765127 -1.530963 ESP Fit Center 783 is at 7.122147 -1.550912 -1.530963 ESP Fit Center 784 is at 7.803863 -0.696068 -1.530963 ESP Fit Center 785 is at 7.560561 0.369906 -2.541404 ESP Fit Center 786 is at 7.247797 1.435085 -2.541404 ESP Fit Center 787 is at 6.408803 2.162077 -2.541404 ESP Fit Center 788 is at 5.309955 2.320067 -2.541404 ESP Fit Center 789 is at 4.300129 1.858895 -2.541404 ESP Fit Center 790 is at 6.408803 -1.422265 -2.541404 ESP Fit Center 791 is at 7.247797 -0.695273 -2.541404 ESP Fit Center 792 is at 6.683733 0.369906 -3.240652 ESP Fit Center 793 is at 6.137040 1.316807 -3.240652 ESP Fit Center 794 is at 5.043652 1.316807 -3.240652 ESP Fit Center 795 is at 4.496959 0.369906 -3.240652 ESP Fit Center 796 is at 5.043652 -0.576995 -3.240652 ESP Fit Center 797 is at 6.137040 -0.576995 -3.240652 ESP Fit Center 798 is at 5.590346 0.369906 -3.490210 ESP Fit Center 799 is at 4.585398 2.769107 2.395386 ESP Fit Center 800 is at 3.520587 2.922204 2.395386 ESP Fit Center 801 is at 6.286768 1.032448 1.519443 ESP Fit Center 802 is at 6.039737 2.114760 1.519443 ESP Fit Center 803 is at 1.773398 1.839901 2.762548 ESP Fit Center 804 is at 1.583613 2.063065 2.762467 ESP Fit Center 805 is at 2.100236 2.957882 2.556942 ESP Fit Center 806 is at 1.066990 2.957882 2.556942 ESP Fit Center 807 is at 1.311907 3.952821 1.971655 ESP Fit Center 808 is at 3.189724 3.095250 -1.846721 ESP Fit Center 809 is at 1.311907 3.952821 -1.846721 ESP Fit Center 810 is at 2.616858 2.063065 -2.432008 ESP Fit Center 811 is at 2.100236 2.957882 -2.432008 ESP Fit Center 812 is at 2.100236 1.168248 -2.432008 ESP Fit Center 813 is at 1.583613 2.063065 -2.637533 ESP Fit Center 814 is at 0.648936 4.549540 -1.150294 ESP Fit Center 815 is at -0.461210 4.549540 -1.150294 ESP Fit Center 816 is at -1.116943 -4.182469 0.933396 ESP Fit Center 817 is at -0.006797 -4.182469 0.933396 ESP Fit Center 818 is at -1.471539 -4.152303 -1.617639 ESP Fit Center 819 is at -2.298318 -3.610126 -2.493582 ESP Fit Center 820 is at -1.233507 -3.457029 -2.493582 ESP Fit Center 821 is at -3.609170 4.297247 1.126704 ESP Fit Center 822 is at -4.609377 3.815573 1.126704 ESP Fit Center 823 is at -5.421441 3.767451 -0.418721 ESP Fit Center 824 is at -6.882671 1.272976 -1.451966 ESP Fit Center 825 is at -6.008021 -0.791812 1.437819 ESP Fit Center 826 is at -4.176168 -0.253931 -3.171369 ESP Fit Center 827 is at -6.074781 -1.063435 1.392856 ESP Fit Center 828 is at -6.871802 -0.508361 0.693608 ESP Fit Center 829 is at -6.871802 -1.618509 0.693608 ESP Fit Center 830 is at -6.271611 -2.552424 0.693608 ESP Fit Center 831 is at -5.261785 -3.013596 0.693608 ESP Fit Center 832 is at -7.194911 0.002539 -0.316833 ESP Fit Center 833 is at -7.438212 -1.063435 -0.316833 ESP Fit Center 834 is at -7.194911 -2.129409 -0.316833 ESP Fit Center 835 is at -6.513195 -2.984253 -0.316833 ESP Fit Center 836 is at -5.528088 -3.458656 -0.316833 ESP Fit Center 837 is at -7.194911 0.002539 -1.438339 ESP Fit Center 838 is at -7.438212 -1.063435 -1.438339 ESP Fit Center 839 is at -7.194911 -2.129409 -1.438339 ESP Fit Center 840 is at -6.513195 -2.984253 -1.438339 ESP Fit Center 841 is at -5.528088 -3.458656 -1.438339 ESP Fit Center 842 is at -4.434700 -3.458656 -1.438339 ESP Fit Center 843 is at -6.271611 0.425554 -2.448780 ESP Fit Center 844 is at -6.871802 -0.508361 -2.448780 ESP Fit Center 845 is at -6.871802 -1.618509 -2.448780 ESP Fit Center 846 is at -6.271611 -2.552424 -2.448780 ESP Fit Center 847 is at -5.261785 -3.013596 -2.448780 ESP Fit Center 848 is at -4.162937 -2.855606 -2.448780 ESP Fit Center 849 is at -3.888007 -1.063435 -3.148028 ESP Fit Center 850 is at -5.528088 -0.116534 -3.148028 ESP Fit Center 851 is at -6.074781 -1.063435 -3.148028 ESP Fit Center 852 is at -5.528088 -2.010336 -3.148028 ESP Fit Center 853 is at -4.434700 -2.010336 -3.148028 ESP Fit Center 854 is at -4.981394 -1.063435 -3.397586 ESP Fit Center 855 is at -2.982017 -0.812765 4.293715 ESP Fit Center 856 is at -2.465394 0.082052 4.088190 ESP Fit Center 857 is at -4.015262 -0.812765 4.088190 ESP Fit Center 858 is at -3.498640 -1.707582 4.088190 ESP Fit Center 859 is at -2.188912 0.923894 3.502903 ESP Fit Center 860 is at -4.813870 -1.350646 3.502903 ESP Fit Center 861 is at -5.476492 -0.812765 2.626960 ESP Fit Center 862 is at -0.623536 0.763950 3.546106 ESP Fit Center 863 is at -0.083536 1.699257 3.256721 ESP Fit Center 864 is at -1.163536 1.699257 3.256721 ESP Fit Center 865 is at 0.827644 0.711113 -3.217313 ESP Fit Center 866 is at -0.252356 0.711113 -3.217313 ESP Fit Center 867 is at -0.792356 -0.224194 -3.217313 ESP Fit Center 868 is at -0.252356 -1.159501 -3.217313 ESP Fit Center 869 is at 0.287644 -0.224194 -3.506698 ESP Fit Center 870 is at -1.092106 -2.990308 2.822766 ESP Fit Center 871 is at -1.777098 -3.468717 2.032151 ESP Fit Center 872 is at -0.818322 -3.906576 2.032151 ESP Fit Center 873 is at -0.295642 -4.390577 0.435716 ESP Fit Center 874 is at 0.747655 -4.240573 0.435716 ESP Fit Center 875 is at -0.795373 -4.558637 -0.644284 ESP Fit Center 876 is at 0.230933 -4.683253 -0.644284 ESP Fit Center 877 is at -0.295642 -4.390577 -1.724284 ESP Fit Center 878 is at 0.747655 -4.240573 -1.724284 ESP Fit Center 879 is at -0.569426 -3.474309 -2.514899 ESP Fit Center 880 is at 0.510574 -3.474309 -2.514899 ESP Fit Center 881 is at -0.029426 -2.539002 -2.804284 ESP Fit Center 882 is at -1.974313 -3.613873 1.501395 ESP Fit Center 883 is at -3.739305 -4.092282 0.710780 ESP Fit Center 884 is at -2.780529 -4.530141 0.710780 ESP Fit Center 885 is at -1.737232 -4.380137 0.710780 ESP Fit Center 886 is at -4.131096 -4.110911 -0.369220 ESP Fit Center 887 is at -3.280260 -4.698201 -0.369220 ESP Fit Center 888 is at -2.253954 -4.822817 -0.369220 ESP Fit Center 889 is at -1.287293 -4.456211 -0.369220 ESP Fit Center 890 is at -3.739305 -4.092282 -1.449220 ESP Fit Center 891 is at -2.780529 -4.530141 -1.449220 ESP Fit Center 892 is at -1.737232 -4.380137 -1.449220 ESP Fit Center 893 is at -3.054313 -3.613873 -2.239835 ESP Fit Center 894 is at -3.284001 -3.006727 -2.755100 ESP Fit Center 895 is at -2.325225 -3.444586 -2.755100 ESP Fit Center 896 is at -1.281927 -3.294582 -2.755100 ESP Fit Center 897 is at -0.485348 -2.604342 -2.755100 ESP Fit Center 898 is at -0.979009 -1.593011 -3.545715 ESP Fit Center 899 is at -1.519009 -0.657704 -3.545715 ESP Fit Center 900 is at -2.599009 -0.657704 -3.545715 ESP Fit Center 901 is at -3.139009 -1.593011 -3.545715 ESP Fit Center 902 is at -2.599009 -2.528318 -3.545715 ESP Fit Center 903 is at -1.519009 -2.528318 -3.545715 ESP Fit Center 904 is at -2.059009 -1.593011 -3.835100 ESP Fit Center 905 is at -0.862597 0.771298 -3.222174 ESP Fit Center 906 is at -1.402597 1.706605 -3.222174 ESP Fit Center 907 is at -2.482597 1.706605 -3.222174 ESP Fit Center 908 is at -3.022597 0.771298 -3.222174 ESP Fit Center 909 is at -1.402597 -0.164009 -3.222174 ESP Fit Center 910 is at -1.942597 0.771298 -3.511559 ESP Fit Center 911 is at -2.035399 4.521872 0.696933 ESP Fit Center 912 is at -3.078697 4.671876 0.696933 ESP Fit Center 913 is at -1.585461 4.597946 -0.383067 ESP Fit Center 914 is at -2.552122 4.964552 -0.383067 ESP Fit Center 915 is at -3.578428 4.839936 -0.383067 ESP Fit Center 916 is at -4.429264 4.252646 -0.383067 ESP Fit Center 917 is at -2.035399 4.521872 -1.463067 ESP Fit Center 918 is at -3.078697 4.671876 -1.463067 ESP Fit Center 919 is at -4.037473 4.234017 -1.463067 ESP Fit Center 920 is at -2.272481 3.755608 -2.253682 ESP Fit Center 921 is at -3.352481 3.755608 -2.253682 ESP Fit Center 922 is at -2.812481 2.820301 -2.543067 ESP Fit Center 923 is at -3.090535 2.045186 3.334635 ESP Fit Center 924 is at -2.010535 2.045186 3.045250 ESP Fit Center 925 is at -2.550535 2.980493 3.045250 ESP Fit Center 926 is at -3.630535 2.980493 3.045250 ESP Fit Center 927 is at -4.170535 2.045186 3.045250 ESP Fit Center 928 is at -1.516874 3.056517 2.254635 ESP Fit Center 929 is at -2.313453 3.746757 2.254635 ESP Fit Center 930 is at -3.356751 3.896761 2.254635 ESP Fit Center 931 is at -4.315527 3.458902 2.254635 ESP Fit Center 932 is at -4.885377 2.572199 2.254635 ESP Fit Center 933 is at -5.261314 1.516031 2.356509 ESP Fit Center 934 is at -5.801314 2.451338 2.067124 ESP Fit Center 935 is at -6.341314 1.516031 2.067124 ESP Fit Center 936 is at -5.801314 0.580724 2.067124 ESP Fit Center 937 is at -5.527530 3.367606 1.276509 ESP Fit Center 938 is at -6.486306 2.929747 1.276509 ESP Fit Center 939 is at -7.056156 2.043044 1.276509 ESP Fit Center 940 is at -7.056156 0.989018 1.276509 ESP Fit Center 941 is at -6.486306 0.102315 1.276509 ESP Fit Center 942 is at -6.027261 3.535666 0.196509 ESP Fit Center 943 is at -6.878097 2.948376 0.196509 ESP Fit Center 944 is at -7.358548 2.032953 0.196509 ESP Fit Center 945 is at -7.358548 0.999109 0.196509 ESP Fit Center 946 is at -6.486306 2.929747 -0.883491 ESP Fit Center 947 is at -7.056156 2.043044 -0.883491 ESP Fit Center 948 is at -7.056156 0.989018 -0.883491 ESP Fit Center 949 is at -5.387138 3.631978 -1.435846 ESP Fit Center 950 is at -6.237974 3.044688 -1.435846 ESP Fit Center 951 is at -3.844109 3.313914 -2.515846 ESP Fit Center 952 is at -4.887407 3.463918 -2.515846 ESP Fit Center 953 is at -5.846183 3.026059 -2.515846 ESP Fit Center 954 is at -6.416033 2.139356 -2.515846 ESP Fit Center 955 is at -6.416033 1.085330 -2.515846 ESP Fit Center 956 is at -3.541191 1.612343 -3.306461 ESP Fit Center 957 is at -4.081191 2.547650 -3.306461 ESP Fit Center 958 is at -5.161191 2.547650 -3.306461 ESP Fit Center 959 is at -5.701191 1.612343 -3.306461 ESP Fit Center 960 is at -5.161191 0.677036 -3.306461 ESP Fit Center 961 is at -4.081191 0.677036 -3.306461 ESP Fit Center 962 is at -4.621191 1.612343 -3.595846 ESP Fit Center 963 is at -3.534383 -0.002103 4.240995 ESP Fit Center 964 is at -2.994383 0.933204 3.951610 ESP Fit Center 965 is at -4.074383 0.933204 3.951610 ESP Fit Center 966 is at -4.614383 -0.002103 3.951610 ESP Fit Center 967 is at -4.759375 1.411613 3.160995 ESP Fit Center 968 is at -5.329225 0.524910 3.160995 ESP Fit Center 969 is at -5.329225 -0.529116 3.160995 ESP Fit Center 970 is at -5.631617 0.514819 2.080995 ESP Fit Center 971 is at -5.631617 -0.519025 2.080995 ESP Fit Center 972 is at -2.032336 -0.924399 4.283907 ESP Fit Center 973 is at -0.952336 -0.924399 3.994522 ESP Fit Center 974 is at -1.492336 0.010908 3.994522 ESP Fit Center 975 is at -1.492336 -1.859706 3.994522 ESP Fit Center 976 is at -1.255254 -2.625970 3.203907 ESP Fit Center 977 is at -0.458675 -1.935730 3.203907 ESP Fit Center 978 is at -4.639484 -1.733399 3.601711 ESP Fit Center 979 is at -4.099484 -2.668706 3.601711 ESP Fit Center 980 is at -3.019484 -2.668706 3.601711 ESP Fit Center 981 is at -5.354326 -2.260412 2.811096 ESP Fit Center 982 is at -4.784476 -3.147115 2.811096 ESP Fit Center 983 is at -3.825700 -3.584974 2.811096 ESP Fit Center 984 is at -2.782403 -3.434970 2.811096 ESP Fit Center 985 is at -5.656718 -1.216477 1.731096 ESP Fit Center 986 is at -5.656718 -2.250321 1.731096 ESP Fit Center 987 is at -5.176267 -3.165744 1.731096 ESP Fit Center 988 is at -4.325431 -3.753034 1.731096 ESP Fit Center 989 is at -3.299125 -3.877650 1.731096 ESP Fit Center 990 is at -2.332464 -3.511044 1.731096 ESP Fit Center 991 is at -4.784476 -3.147115 0.651096 ESP Fit Center 992 is at 1.877384 -4.246857 0.475471 ESP Fit Center 993 is at 2.920681 -4.096853 0.475471 ESP Fit Center 994 is at 1.377653 -4.414917 -0.604529 ESP Fit Center 995 is at 2.403959 -4.539533 -0.604529 ESP Fit Center 996 is at 3.370620 -4.172927 -0.604529 ESP Fit Center 997 is at 1.877384 -4.246857 -1.684529 ESP Fit Center 998 is at 2.920681 -4.096853 -1.684529 ESP Fit Center 999 is at 1.603600 -3.330589 -2.475144 ESP Fit Center 1000 is at 3.127804 0.673290 -2.772227 ESP Fit Center 1001 is at 2.084506 0.823294 -2.772227 ESP Fit Center 1002 is at 1.125730 -2.441997 -2.772227 ESP Fit Center 1003 is at 3.430722 -1.028281 -3.562842 ESP Fit Center 1004 is at 2.890722 -0.092974 -3.562842 ESP Fit Center 1005 is at 1.810722 -0.092974 -3.562842 ESP Fit Center 1006 is at 1.270722 -1.028281 -3.562842 ESP Fit Center 1007 is at 1.810722 -1.963588 -3.562842 ESP Fit Center 1008 is at 2.890722 -1.963588 -3.562842 ESP Fit Center 1009 is at 2.350722 -1.028281 -3.852227 ESP Fit Center 1010 is at 5.305694 -1.816062 2.474396 ESP Fit Center 1011 is at 4.765694 -2.751369 2.474396 ESP Fit Center 1012 is at 6.096309 -1.816062 1.683781 ESP Fit Center 1013 is at 3.959478 -3.667637 1.683781 ESP Fit Center 1014 is at 5.002775 -3.517633 1.683781 ESP Fit Center 1015 is at 5.799355 -2.827393 1.683781 ESP Fit Center 1016 is at 3.459747 -3.835697 0.603781 ESP Fit Center 1017 is at 4.486053 -3.960313 0.603781 ESP Fit Center 1018 is at 5.452714 -3.593707 0.603781 ESP Fit Center 1019 is at 6.138279 -2.819864 0.603781 ESP Fit Center 1020 is at 6.727095 -1.950725 -1.124962 ESP Fit Center 1021 is at 3.801148 -3.970360 -1.124962 ESP Fit Center 1022 is at 4.827454 -4.094976 -1.124962 ESP Fit Center 1023 is at 5.794115 -3.728370 -1.124962 ESP Fit Center 1024 is at 6.479680 -2.954527 -1.124962 ESP Fit Center 1025 is at 6.437710 -1.950725 -2.204962 ESP Fit Center 1026 is at 4.300879 -3.802300 -2.204962 ESP Fit Center 1027 is at 5.344176 -3.652296 -2.204962 ESP Fit Center 1028 is at 6.140756 -2.962056 -2.204962 ESP Fit Center 1029 is at 5.647095 -1.950725 -2.995577 ESP Fit Center 1030 is at 4.027095 -2.886032 -2.995577 ESP Fit Center 1031 is at 5.107095 -2.886032 -2.995577 ESP Fit Center 1032 is at 4.567095 -1.950725 -3.284962 ESP Fit Center 1033 is at 4.705454 2.977618 2.165894 ESP Fit Center 1034 is at 5.739115 3.053642 1.375279 ESP Fit Center 1035 is at 4.942536 3.743882 1.375279 ESP Fit Center 1036 is at 3.899238 3.893886 1.375279 ESP Fit Center 1037 is at 6.078039 3.046113 0.295279 ESP Fit Center 1038 is at 5.392474 3.819956 0.295279 ESP Fit Center 1039 is at 4.425813 4.186562 0.295279 ESP Fit Center 1040 is at 5.739115 3.053642 -0.784721 ESP Fit Center 1041 is at 4.942536 3.743882 -0.784721 ESP Fit Center 1042 is at 4.705454 2.977618 -1.575336 ESP Fit Center 1043 is at 3.625454 2.977618 -1.575336 ESP Fit Center 1044 is at 2.651761 3.951358 1.895904 ESP Fit Center 1045 is at 3.685422 4.027382 1.105289 ESP Fit Center 1046 is at 2.888843 4.717622 1.105289 ESP Fit Center 1047 is at 1.845545 4.867626 1.105289 ESP Fit Center 1048 is at 3.338781 4.793696 0.025289 ESP Fit Center 1049 is at 2.372120 5.160302 0.025289 ESP Fit Center 1050 is at 1.345814 5.035686 0.025289 ESP Fit Center 1051 is at 3.685422 4.027382 -1.054711 ESP Fit Center 1052 is at 2.888843 4.717622 -1.054711 ESP Fit Center 1053 is at 1.845545 4.867626 -1.054711 ESP Fit Center 1054 is at 2.651761 3.951358 -1.845326 ESP Fit Center 1055 is at 0.637670 4.052430 -2.249849 ESP Fit Center 1056 is at -0.405628 4.202434 -2.249849 ESP Fit Center 1057 is at -1.364404 3.764575 -2.249849 ESP Fit Center 1058 is at 0.940588 2.350859 -3.040464 ESP Fit Center 1059 is at 0.400588 3.286166 -3.040464 ESP Fit Center 1060 is at -0.679412 3.286166 -3.040464 ESP Fit Center 1061 is at -1.219412 2.350859 -3.040464 ESP Fit Center 1062 is at -0.679412 1.415552 -3.040464 ESP Fit Center 1063 is at 0.400588 1.415552 -3.040464 ESP Fit Center 1064 is at -0.139412 2.350859 -3.329849 ESP Fit Center 1065 is at -0.313867 2.957584 2.622370 ESP Fit Center 1066 is at 0.226133 3.892891 2.332985 ESP Fit Center 1067 is at -0.853867 3.892891 2.332985 ESP Fit Center 1068 is at -1.393867 2.957584 2.332985 ESP Fit Center 1069 is at 0.463215 4.659155 1.542370 ESP Fit Center 1070 is at -0.580083 4.809159 1.542370 ESP Fit Center 1071 is at -1.538859 4.371300 1.542370 ESP Fit Center 1072 is at -0.053508 5.101835 0.462370 ESP Fit Center 1073 is at -1.079814 4.977219 0.462370 ESP Fit Center 1074 is at -0.580083 4.809159 -0.617630 ESP Fit Center 1075 is at 4.032549 0.793506 3.695863 ESP Fit Center 1076 is at 5.112549 0.793506 3.406478 ESP Fit Center 1077 is at 4.572549 1.728813 3.406478 ESP Fit Center 1078 is at 3.492549 1.728813 3.406478 ESP Fit Center 1079 is at 4.572549 -0.141801 3.406478 ESP Fit Center 1080 is at 5.903164 0.793506 2.615863 ESP Fit Center 1081 is at 5.606210 1.804837 2.615863 ESP Fit Center 1082 is at 4.809631 2.495077 2.615863 ESP Fit Center 1083 is at 5.606210 -0.217825 2.615863 ESP Fit Center 1084 is at 1.717913 -1.013415 4.433326 ESP Fit Center 1085 is at 2.234536 -0.118598 4.227801 ESP Fit Center 1086 is at 1.201290 -1.908232 4.227801 ESP Fit Center 1087 is at 2.234536 -1.908232 4.227801 ESP Fit Center 1088 is at 2.511018 0.723244 3.642514 ESP Fit Center 1089 is at 2.511018 -2.750074 3.642514 ESP Fit Center 1090 is at 3.273193 -2.963674 2.766571 ESP Fit Center 1091 is at 2.714654 -0.909770 4.332884 ESP Fit Center 1092 is at 3.794654 -0.909770 4.043499 ESP Fit Center 1093 is at 3.254654 0.025537 4.043499 ESP Fit Center 1094 is at 3.254654 -1.845077 4.043499 ESP Fit Center 1095 is at 4.585269 -0.909770 3.252884 ESP Fit Center 1096 is at 3.491736 -2.611341 3.252884 ESP Fit Center 1097 is at 4.288315 -1.921101 3.252884 ESP Fit Center 1098 is at 1.023768 -0.476678 4.548585 ESP Fit Center 1099 is at 1.563768 0.458629 4.259200 ESP Fit Center 1100 is at 0.483768 0.458629 4.259200 ESP Fit Center 1101 is at -0.056232 -0.476678 4.259200 ESP Fit Center 1102 is at 0.483768 -1.411985 4.259200 ESP Fit Center 1103 is at 1.800850 1.224893 3.468585 ESP Fit Center 1104 is at 0.757552 1.374897 3.468585 ESP Fit Center 1105 is at -0.201224 -1.890394 3.468585 ESP Fit Center 1106 is at 0.923377 -3.013316 3.635279 ESP Fit Center 1107 is at 2.003377 -3.013316 3.635279 ESP Fit Center 1108 is at 0.238385 -3.491725 2.844664 ESP Fit Center 1109 is at 1.197161 -3.929584 2.844664 ESP Fit Center 1110 is at 2.240458 -3.779580 2.844664 ESP Fit Center 1111 is at 0.697430 -4.097644 1.764664 ESP Fit Center 1112 is at 1.723736 -4.222260 1.764664 ESP Fit Center 1113 is at 2.690397 -3.855654 1.764664 ESP Fit Center 1114 is at 1.197161 -3.929584 0.684664 ESP Fit Center 1115 is at 3.312574 -3.834885 -2.158692 ESP Fit Center 1116 is at 1.246915 -2.821327 -2.956825 ESP Fit Center 1117 is at 2.235289 -3.272703 -2.956825 ESP Fit Center 1118 is at 3.310795 -3.118069 -2.956825 ESP Fit Center 1119 is at 4.297572 -4.304844 0.142787 ESP Fit Center 1120 is at 5.341872 -4.007715 0.142787 ESP Fit Center 1121 is at 6.208317 -3.353406 0.142787 ESP Fit Center 1122 is at 6.779890 -2.430285 0.142787 ESP Fit Center 1123 is at 6.515441 0.047501 1.932905 ESP Fit Center 1124 is at 6.209320 -0.995051 1.932905 ESP Fit Center 1125 is at 6.960539 -1.009232 1.134772 ESP Fit Center 1126 is at 3.324269 1.504860 -2.663361 ESP Fit Center 1127 is at 7.570245 0.369906 1.009689 ESP Fit Center 1128 is at 7.304989 1.359855 1.009689 ESP Fit Center 1129 is at 6.580295 2.084549 1.009689 ESP Fit Center 1130 is at 7.304989 -0.620043 1.009689 ESP Fit Center 1131 is at 8.177209 0.369906 0.101304 ESP Fit Center 1132 is at 7.953563 1.422078 0.101304 ESP Fit Center 1133 is at 7.321295 2.292320 0.101304 ESP Fit Center 1134 is at 7.321295 -1.552508 0.101304 ESP Fit Center 1135 is at 7.953563 -0.682266 0.101304 ESP Fit Center 1136 is at 8.390346 0.369906 -0.970210 ESP Fit Center 1137 is at 8.201268 1.381383 -0.970210 ESP Fit Center 1138 is at 7.659571 2.256254 -0.970210 ESP Fit Center 1139 is at 6.838413 2.876363 -0.970210 ESP Fit Center 1140 is at 7.659571 -1.516442 -0.970210 ESP Fit Center 1141 is at 8.201268 -0.641571 -0.970210 ESP Fit Center 1142 is at 8.177209 0.369906 -2.041724 ESP Fit Center 1143 is at 7.953563 1.422078 -2.041724 ESP Fit Center 1144 is at 7.321295 2.292320 -2.041724 ESP Fit Center 1145 is at 6.389731 2.830159 -2.041724 ESP Fit Center 1146 is at 5.319945 2.942598 -2.041724 ESP Fit Center 1147 is at 4.296915 2.610195 -2.041724 ESP Fit Center 1148 is at 7.321295 -1.552508 -2.041724 ESP Fit Center 1149 is at 7.953563 -0.682266 -2.041724 ESP Fit Center 1150 is at 7.570245 0.369906 -2.950109 ESP Fit Center 1151 is at 7.304989 1.359855 -2.950109 ESP Fit Center 1152 is at 6.580295 2.084549 -2.950109 ESP Fit Center 1153 is at 5.590346 2.349805 -2.950109 ESP Fit Center 1154 is at 4.600397 2.084549 -2.950109 ESP Fit Center 1155 is at 6.580295 -1.344737 -2.950109 ESP Fit Center 1156 is at 7.304989 -0.620043 -2.950109 ESP Fit Center 1157 is at 6.661860 0.369906 -3.557073 ESP Fit Center 1158 is at 6.126103 1.297864 -3.557073 ESP Fit Center 1159 is at 5.054589 1.297864 -3.557073 ESP Fit Center 1160 is at 4.518832 0.369906 -3.557073 ESP Fit Center 1161 is at 5.054589 -0.558052 -3.557073 ESP Fit Center 1162 is at 6.126103 -0.558052 -3.557073 ESP Fit Center 1163 is at 5.590346 0.369906 -3.770210 ESP Fit Center 1164 is at 4.593364 2.786549 2.784331 ESP Fit Center 1165 is at 3.517858 2.941183 2.784331 ESP Fit Center 1166 is at 6.390369 1.032448 1.986198 ESP Fit Center 1167 is at 6.165754 2.089181 1.986198 ESP Fit Center 1168 is at 1.776991 1.833678 3.087151 ESP Fit Center 1169 is at 1.583613 2.063065 3.062467 ESP Fit Center 1170 is at 2.096643 2.951659 2.881545 ESP Fit Center 1171 is at 1.070583 2.951659 2.881545 ESP Fit Center 1172 is at 2.384684 3.817166 2.360600 ESP Fit Center 1173 is at 1.309178 3.971800 2.360600 ESP Fit Center 1174 is at 3.205855 3.105617 -2.235666 ESP Fit Center 1175 is at 2.384684 3.817166 -2.235666 ESP Fit Center 1176 is at 1.309178 3.971800 -2.235666 ESP Fit Center 1177 is at 2.609673 2.063065 -2.756611 ESP Fit Center 1178 is at 2.096643 2.951659 -2.756611 ESP Fit Center 1179 is at 2.096643 1.174471 -2.756611 ESP Fit Center 1180 is at 1.583613 2.063065 -2.937533 ESP Fit Center 1181 is at 0.366463 5.059427 -0.637994 ESP Fit Center 1182 is at 0.896713 4.588524 -1.617049 ESP Fit Center 1183 is at -0.289270 -4.692356 0.421096 ESP Fit Center 1184 is at -1.223762 -4.191287 -2.084394 ESP Fit Center 1185 is at -2.251247 4.336231 1.593459 ESP Fit Center 1186 is at -3.325670 4.449158 1.593459 ESP Fit Center 1187 is at -4.353135 4.115314 1.593459 ESP Fit Center 1188 is at -4.834535 4.222995 0.614404 ESP Fit Center 1189 is at -5.196712 4.114616 0.102224 ESP Fit Center 1190 is at -5.196712 4.114616 -0.939666 ESP Fit Center 1191 is at -6.168634 3.630657 -0.939666 ESP Fit Center 1192 is at -7.292315 0.730102 -0.939666 ESP Fit Center 1193 is at -6.929498 0.732806 -1.918721 ESP Fit Center 1194 is at -6.026419 -0.797214 1.826764 ESP Fit Center 1195 is at -4.176168 -0.253931 -3.471369 ESP Fit Center 1196 is at -6.961293 -1.063435 1.102313 ESP Fit Center 1197 is at -6.696037 -2.053384 1.102313 ESP Fit Center 1198 is at -5.971343 -2.778078 1.102313 ESP Fit Center 1199 is at -7.511728 -0.525596 0.193928 ESP Fit Center 1200 is at -7.511728 -1.601274 0.193928 ESP Fit Center 1201 is at -7.074210 -2.583955 0.193928 ESP Fit Center 1202 is at -6.274825 -3.303724 0.193928 ESP Fit Center 1203 is at -5.251795 -3.636127 0.193928 ESP Fit Center 1204 is at -7.362002 0.410575 -0.877586 ESP Fit Center 1205 is at -7.733719 -0.548936 -0.877586 ESP Fit Center 1206 is at -7.733719 -1.577934 -0.877586 ESP Fit Center 1207 is at -7.362002 -2.537445 -0.877586 ESP Fit Center 1208 is at -6.668771 -3.297883 -0.877586 ESP Fit Center 1209 is at -5.747650 -3.756547 -0.877586 ESP Fit Center 1210 is at -4.723043 -3.851491 -0.877586 ESP Fit Center 1211 is at -7.074210 0.457085 -1.949100 ESP Fit Center 1212 is at -7.511728 -0.525596 -1.949100 ESP Fit Center 1213 is at -7.511728 -1.601274 -1.949100 ESP Fit Center 1214 is at -7.074210 -2.583955 -1.949100 ESP Fit Center 1215 is at -6.274825 -3.303724 -1.949100 ESP Fit Center 1216 is at -5.251795 -3.636127 -1.949100 ESP Fit Center 1217 is at -4.182009 -3.523688 -1.949100 ESP Fit Center 1218 is at -6.696037 -0.073486 -2.857485 ESP Fit Center 1219 is at -6.961293 -1.063435 -2.857485 ESP Fit Center 1220 is at -6.696037 -2.053384 -2.857485 ESP Fit Center 1221 is at -5.971343 -2.778078 -2.857485 ESP Fit Center 1222 is at -4.981394 -3.043334 -2.857485 ESP Fit Center 1223 is at -3.991445 -2.778078 -2.857485 ESP Fit Center 1224 is at -3.909880 -1.063435 -3.464449 ESP Fit Center 1225 is at -4.445637 -0.135477 -3.464449 ESP Fit Center 1226 is at -5.517151 -0.135477 -3.464449 ESP Fit Center 1227 is at -6.052908 -1.063435 -3.464449 ESP Fit Center 1228 is at -5.517151 -1.991393 -3.464449 ESP Fit Center 1229 is at -4.445637 -1.991393 -3.464449 ESP Fit Center 1230 is at -4.981394 -1.063435 -3.677586 ESP Fit Center 1231 is at -2.982017 -0.812765 4.593715 ESP Fit Center 1232 is at -2.468987 0.075829 4.412793 ESP Fit Center 1233 is at -4.008077 -0.812765 4.412793 ESP Fit Center 1234 is at -3.495047 -1.701359 4.412793 ESP Fit Center 1235 is at -2.468987 -1.701359 4.412793 ESP Fit Center 1236 is at -2.180946 0.941336 3.891848 ESP Fit Center 1237 is at -4.832268 -1.356048 3.891848 ESP Fit Center 1238 is at -2.180946 -2.566866 3.891848 ESP Fit Center 1239 is at -5.523319 -1.352935 3.093715 ESP Fit Center 1240 is at -2.179167 -3.283682 3.093715 ESP Fit Center 1241 is at -0.623536 0.763950 3.786106 ESP Fit Center 1242 is at -0.102876 1.665760 3.548431 ESP Fit Center 1243 is at -1.144196 1.665760 3.548431 ESP Fit Center 1244 is at 0.155947 2.470779 2.882482 ESP Fit Center 1245 is at -0.890575 2.621247 2.882482 ESP Fit Center 1246 is at 0.808304 0.677616 -3.509023 ESP Fit Center 1247 is at -0.233016 0.677616 -3.509023 ESP Fit Center 1248 is at -0.753677 -0.224194 -3.509023 ESP Fit Center 1249 is at -0.233016 -1.126004 -3.509023 ESP Fit Center 1250 is at 0.287644 -0.224194 -3.746698 ESP Fit Center 1251 is at -1.072766 -2.956811 3.114476 ESP Fit Center 1252 is at -1.780884 -3.473086 2.448527 ESP Fit Center 1253 is at -0.819145 -3.912298 2.448527 ESP Fit Center 1254 is at -1.072766 -4.336164 1.486201 ESP Fit Center 1255 is at -0.031446 -4.336164 1.486201 ESP Fit Center 1256 is at -0.550086 -4.820165 -0.110234 ESP Fit Center 1257 is at 0.491234 -4.820165 -0.110234 ESP Fit Center 1258 is at -0.550086 -4.820165 -1.178334 ESP Fit Center 1259 is at 0.491234 -4.820165 -1.178334 ESP Fit Center 1260 is at -0.296465 -4.396299 -2.140660 ESP Fit Center 1261 is at 0.750057 -4.245831 -2.140660 ESP Fit Center 1262 is at -0.550086 -3.440812 -2.806609 ESP Fit Center 1263 is at 0.491234 -3.440812 -2.806609 ESP Fit Center 1264 is at -0.029426 -2.539002 -3.044284 ESP Fit Center 1265 is at -3.743091 -4.096651 1.127156 ESP Fit Center 1266 is at -2.781352 -4.535863 1.127156 ESP Fit Center 1267 is at -1.734830 -4.385395 1.127156 ESP Fit Center 1268 is at -4.622424 -3.693779 0.164830 ESP Fit Center 1269 is at -3.973171 -4.507916 0.164830 ESP Fit Center 1270 is at -3.034973 -4.959729 0.164830 ESP Fit Center 1271 is at -1.993653 -4.959729 0.164830 ESP Fit Center 1272 is at -3.973171 -4.507916 -0.903270 ESP Fit Center 1273 is at -3.034973 -4.959729 -0.903270 ESP Fit Center 1274 is at -1.993653 -4.959729 -0.903270 ESP Fit Center 1275 is at -3.743091 -4.096651 -1.865596 ESP Fit Center 1276 is at -2.781352 -4.535863 -1.865596 ESP Fit Center 1277 is at -3.287787 -3.011096 -3.171476 ESP Fit Center 1278 is at -2.326048 -3.450308 -3.171476 ESP Fit Center 1279 is at -1.279526 -3.299840 -3.171476 ESP Fit Center 1280 is at -0.480485 -2.607467 -3.171476 ESP Fit Center 1281 is at -1.017688 -1.593011 -3.837425 ESP Fit Center 1282 is at -1.538349 -0.691201 -3.837425 ESP Fit Center 1283 is at -2.579669 -0.691201 -3.837425 ESP Fit Center 1284 is at -3.100330 -1.593011 -3.837425 ESP Fit Center 1285 is at -2.579669 -2.494821 -3.837425 ESP Fit Center 1286 is at -1.538349 -2.494821 -3.837425 ESP Fit Center 1287 is at -2.059009 -1.593011 -4.075100 ESP Fit Center 1288 is at -2.209636 2.628595 -2.847935 ESP Fit Center 1289 is at -0.901276 0.771298 -3.513884 ESP Fit Center 1290 is at -1.421937 1.673108 -3.513884 ESP Fit Center 1291 is at -2.463257 1.673108 -3.513884 ESP Fit Center 1292 is at -2.983918 0.771298 -3.513884 ESP Fit Center 1293 is at -1.421937 -0.130512 -3.513884 ESP Fit Center 1294 is at -1.942597 0.771298 -3.751559 ESP Fit Center 1295 is at -2.032998 4.527130 1.113309 ESP Fit Center 1296 is at -2.291821 5.101464 0.150983 ESP Fit Center 1297 is at -3.333141 5.101464 0.150983 ESP Fit Center 1298 is at -4.271339 4.649651 0.150983 ESP Fit Center 1299 is at -1.353623 4.649651 -0.917117 ESP Fit Center 1300 is at -2.291821 5.101464 -0.917117 ESP Fit Center 1301 is at -3.333141 5.101464 -0.917117 ESP Fit Center 1302 is at -4.271339 4.649651 -0.917117 ESP Fit Center 1303 is at -2.032998 4.527130 -1.879443 ESP Fit Center 1304 is at -3.079520 4.677598 -1.879443 ESP Fit Center 1305 is at -4.041259 4.238386 -1.879443 ESP Fit Center 1306 is at -2.291821 3.722111 -2.545392 ESP Fit Center 1307 is at -3.333141 3.722111 -2.545392 ESP Fit Center 1308 is at -2.812481 2.820301 -2.783067 ESP Fit Center 1309 is at -3.090535 2.045186 3.574635 ESP Fit Center 1310 is at -2.049214 2.045186 3.336960 ESP Fit Center 1311 is at -2.569875 2.946996 3.336960 ESP Fit Center 1312 is at -3.611195 2.946996 3.336960 ESP Fit Center 1313 is at -4.131856 2.045186 3.336960 ESP Fit Center 1314 is at -1.512011 3.059642 2.671011 ESP Fit Center 1315 is at -2.311052 3.752015 2.671011 ESP Fit Center 1316 is at -3.357574 3.902483 2.671011 ESP Fit Center 1317 is at -4.319313 3.463271 2.671011 ESP Fit Center 1318 is at -4.890923 2.573828 2.671011 ESP Fit Center 1319 is at -5.781974 2.417841 2.358834 ESP Fit Center 1320 is at -6.302635 1.516031 2.358834 ESP Fit Center 1321 is at -5.528353 3.373328 1.692885 ESP Fit Center 1322 is at -6.490092 2.934116 1.692885 ESP Fit Center 1323 is at -7.061702 2.044673 1.692885 ESP Fit Center 1324 is at -7.061702 0.987389 1.692885 ESP Fit Center 1325 is at -6.490092 0.097946 1.692885 ESP Fit Center 1326 is at -5.781974 3.797194 0.730559 ESP Fit Center 1327 is at -6.720172 3.345381 0.730559 ESP Fit Center 1328 is at -7.369425 2.531244 0.730559 ESP Fit Center 1329 is at -7.601141 1.516031 0.730559 ESP Fit Center 1330 is at -7.369425 0.500818 0.730559 ESP Fit Center 1331 is at -6.720172 3.345381 -0.337541 ESP Fit Center 1332 is at -7.369425 2.531244 -0.337541 ESP Fit Center 1333 is at -7.601141 1.516031 -0.337541 ESP Fit Center 1334 is at -7.369425 0.500818 -0.337541 ESP Fit Center 1335 is at -5.141851 3.893506 -1.969896 ESP Fit Center 1336 is at -6.080049 3.441693 -1.969896 ESP Fit Center 1337 is at -6.729302 2.627556 -1.969896 ESP Fit Center 1338 is at -6.961018 1.612343 -1.969896 ESP Fit Center 1339 is at -3.042667 2.626799 -2.932222 ESP Fit Center 1340 is at -3.841708 3.319172 -2.932222 ESP Fit Center 1341 is at -4.888230 3.469640 -2.932222 ESP Fit Center 1342 is at -5.849969 3.030428 -2.932222 ESP Fit Center 1343 is at -6.421579 2.140985 -2.932222 ESP Fit Center 1344 is at -6.421579 1.083701 -2.932222 ESP Fit Center 1345 is at -3.579870 1.612343 -3.598171 ESP Fit Center 1346 is at -4.100531 2.514153 -3.598171 ESP Fit Center 1347 is at -5.141851 2.514153 -3.598171 ESP Fit Center 1348 is at -5.662512 1.612343 -3.598171 ESP Fit Center 1349 is at -5.141851 0.710533 -3.598171 ESP Fit Center 1350 is at -4.100531 0.710533 -3.598171 ESP Fit Center 1351 is at -4.621191 1.612343 -3.835846 ESP Fit Center 1352 is at -3.534383 -0.002103 4.480995 ESP Fit Center 1353 is at -3.013723 0.899707 4.243320 ESP Fit Center 1354 is at -4.055043 0.899707 4.243320 ESP Fit Center 1355 is at -4.575704 -0.002103 4.243320 ESP Fit Center 1356 is at -2.754900 1.704726 3.577371 ESP Fit Center 1357 is at -3.801422 1.855194 3.577371 ESP Fit Center 1358 is at -4.763161 1.415982 3.577371 ESP Fit Center 1359 is at -5.334771 0.526539 3.577371 ESP Fit Center 1360 is at -5.334771 -0.530745 3.577371 ESP Fit Center 1361 is at -5.642494 1.013110 2.615045 ESP Fit Center 1362 is at -5.874210 -0.002103 2.615045 ESP Fit Center 1363 is at -2.032336 -0.924399 4.523907 ESP Fit Center 1364 is at -0.991015 -0.924399 4.286232 ESP Fit Center 1365 is at -1.511676 -0.022589 4.286232 ESP Fit Center 1366 is at -1.511676 -1.826209 4.286232 ESP Fit Center 1367 is at -1.252853 -2.631228 3.620283 ESP Fit Center 1368 is at -0.453812 -1.938855 3.620283 ESP Fit Center 1369 is at -4.080144 -2.635209 3.893421 ESP Fit Center 1370 is at -5.359872 -2.262041 3.227472 ESP Fit Center 1371 is at -4.788262 -3.151484 3.227472 ESP Fit Center 1372 is at -3.826523 -3.590696 3.227472 ESP Fit Center 1373 is at -2.780001 -3.440228 3.227472 ESP Fit Center 1374 is at -5.899311 -1.733399 2.265146 ESP Fit Center 1375 is at -5.667595 -2.748612 2.265146 ESP Fit Center 1376 is at -5.018342 -3.562749 2.265146 ESP Fit Center 1377 is at -4.080144 -4.014562 2.265146 ESP Fit Center 1378 is at -3.038824 -4.014562 2.265146 ESP Fit Center 1379 is at -5.018342 -3.562749 1.197046 ESP Fit Center 1380 is at -4.080144 -4.014562 1.197046 ESP Fit Center 1381 is at 2.923083 -4.102111 0.891847 ESP Fit Center 1382 is at 1.622940 -4.676445 -0.070479 ESP Fit Center 1383 is at 2.664260 -4.676445 -0.070479 ESP Fit Center 1384 is at 1.622940 -4.676445 -1.138579 ESP Fit Center 1385 is at 2.664260 -4.676445 -1.138579 ESP Fit Center 1386 is at 1.876561 -4.252579 -2.100905 ESP Fit Center 1387 is at 2.923083 -4.102111 -2.100905 ESP Fit Center 1388 is at 3.130205 0.678548 -3.188603 ESP Fit Center 1389 is at 2.083683 0.829016 -3.188603 ESP Fit Center 1390 is at 1.121944 -2.446366 -3.188603 ESP Fit Center 1391 is at 3.392043 -1.028281 -3.854552 ESP Fit Center 1392 is at 2.871382 -0.126471 -3.854552 ESP Fit Center 1393 is at 1.830062 -0.126471 -3.854552 ESP Fit Center 1394 is at 1.309401 -1.028281 -3.854552 ESP Fit Center 1395 is at 1.830062 -1.930091 -3.854552 ESP Fit Center 1396 is at 2.871382 -1.930091 -3.854552 ESP Fit Center 1397 is at 2.350722 -1.028281 -4.092227 ESP Fit Center 1398 is at 5.267015 -1.816062 2.766106 ESP Fit Center 1399 is at 4.746354 -2.717872 2.766106 ESP Fit Center 1400 is at 6.102090 -1.816062 2.100157 ESP Fit Center 1401 is at 3.958655 -3.673359 2.100157 ESP Fit Center 1402 is at 5.005177 -3.522891 2.100157 ESP Fit Center 1403 is at 5.804218 -2.830518 2.100157 ESP Fit Center 1404 is at 3.705034 -4.097225 1.137831 ESP Fit Center 1405 is at 4.746354 -4.097225 1.137831 ESP Fit Center 1406 is at 5.684552 -3.645412 1.137831 ESP Fit Center 1407 is at 6.333805 -2.831275 1.137831 ESP Fit Center 1408 is at 5.087755 -4.231888 -0.590912 ESP Fit Center 1409 is at 6.025953 -3.780075 -0.590912 ESP Fit Center 1410 is at 6.675206 -2.965938 -0.590912 ESP Fit Center 1411 is at 4.046435 -4.231888 -1.659012 ESP Fit Center 1412 is at 5.087755 -4.231888 -1.659012 ESP Fit Center 1413 is at 6.025953 -3.780075 -1.659012 ESP Fit Center 1414 is at 6.675206 -2.965938 -1.659012 ESP Fit Center 1415 is at 6.443491 -1.950725 -2.621338 ESP Fit Center 1416 is at 4.300056 -3.808022 -2.621338 ESP Fit Center 1417 is at 5.346578 -3.657554 -2.621338 ESP Fit Center 1418 is at 6.145619 -2.965181 -2.621338 ESP Fit Center 1419 is at 5.608416 -1.950725 -3.287287 ESP Fit Center 1420 is at 4.046435 -2.852535 -3.287287 ESP Fit Center 1421 is at 5.087755 -2.852535 -3.287287 ESP Fit Center 1422 is at 4.567095 -1.950725 -3.524962 ESP Fit Center 1423 is at 5.743978 3.056767 1.791655 ESP Fit Center 1424 is at 4.944937 3.749140 1.791655 ESP Fit Center 1425 is at 3.898415 3.899608 1.791655 ESP Fit Center 1426 is at 6.273565 3.057524 0.829329 ESP Fit Center 1427 is at 5.624312 3.871661 0.829329 ESP Fit Center 1428 is at 4.686114 4.323474 0.829329 ESP Fit Center 1429 is at 6.273565 3.057524 -0.238771 ESP Fit Center 1430 is at 5.624312 3.871661 -0.238771 ESP Fit Center 1431 is at 4.686114 4.323474 -0.238771 ESP Fit Center 1432 is at 4.944937 3.749140 -1.201097 ESP Fit Center 1433 is at 4.686114 2.944121 -1.867046 ESP Fit Center 1434 is at 2.632421 3.917861 2.187614 ESP Fit Center 1435 is at 2.891244 4.722880 1.521665 ESP Fit Center 1436 is at 1.844722 4.873348 1.521665 ESP Fit Center 1437 is at 3.570619 4.845401 0.559339 ESP Fit Center 1438 is at 2.632421 5.297214 0.559339 ESP Fit Center 1439 is at 1.591101 5.297214 0.559339 ESP Fit Center 1440 is at 3.570619 4.845401 -0.508761 ESP Fit Center 1441 is at 2.632421 5.297214 -0.508761 ESP Fit Center 1442 is at 1.591101 5.297214 -0.508761 ESP Fit Center 1443 is at 3.690285 4.030507 -1.471087 ESP Fit Center 1444 is at 2.891244 4.722880 -1.471087 ESP Fit Center 1445 is at 1.844722 4.873348 -1.471087 ESP Fit Center 1446 is at 2.632421 3.917861 -2.137036 ESP Fit Center 1447 is at -0.660072 4.632022 -1.703899 ESP Fit Center 1448 is at 1.439112 3.365315 -2.666225 ESP Fit Center 1449 is at 0.640071 4.057688 -2.666225 ESP Fit Center 1450 is at -0.406451 4.208156 -2.666225 ESP Fit Center 1451 is at -1.368190 3.768944 -2.666225 ESP Fit Center 1452 is at -1.939800 2.879501 -2.666225 ESP Fit Center 1453 is at 0.901909 2.350859 -3.332174 ESP Fit Center 1454 is at 0.381248 3.252669 -3.332174 ESP Fit Center 1455 is at -0.660072 3.252669 -3.332174 ESP Fit Center 1456 is at -1.180733 2.350859 -3.332174 ESP Fit Center 1457 is at -0.660072 1.449049 -3.332174 ESP Fit Center 1458 is at 0.381248 1.449049 -3.332174 ESP Fit Center 1459 is at -0.139412 2.350859 -3.569849 ESP Fit Center 1460 is at -0.313867 2.957584 2.862370 ESP Fit Center 1461 is at 0.206793 3.859394 2.624695 ESP Fit Center 1462 is at -0.834527 3.859394 2.624695 ESP Fit Center 1463 is at -1.355188 2.957584 2.624695 ESP Fit Center 1464 is at 0.465616 4.664413 1.958746 ESP Fit Center 1465 is at -0.580906 4.814881 1.958746 ESP Fit Center 1466 is at -1.542645 4.375669 1.958746 ESP Fit Center 1467 is at 0.206793 5.238747 0.996420 ESP Fit Center 1468 is at -0.834527 5.238747 0.996420 ESP Fit Center 1469 is at -1.772725 4.786934 0.996420 ESP Fit Center 1470 is at 0.206793 5.238747 -0.071680 ESP Fit Center 1471 is at -0.834527 5.238747 -0.071680 ESP Fit Center 1472 is at 4.032549 0.793506 3.935863 ESP Fit Center 1473 is at 5.073870 0.793506 3.698188 ESP Fit Center 1474 is at 4.553209 1.695316 3.698188 ESP Fit Center 1475 is at 3.511889 1.695316 3.698188 ESP Fit Center 1476 is at 4.553209 -0.108304 3.698188 ESP Fit Center 1477 is at 5.908945 0.793506 3.032239 ESP Fit Center 1478 is at 5.611073 1.807962 3.032239 ESP Fit Center 1479 is at 4.812032 2.500335 3.032239 ESP Fit Center 1480 is at 3.765510 2.650803 3.032239 ESP Fit Center 1481 is at 5.611073 -0.220950 3.032239 ESP Fit Center 1482 is at 6.372376 0.793506 2.069913 ESP Fit Center 1483 is at 1.717913 -1.013415 4.733326 ESP Fit Center 1484 is at 2.230943 -0.124821 4.552404 ESP Fit Center 1485 is at 1.204883 -1.902009 4.552404 ESP Fit Center 1486 is at 2.230943 -1.902009 4.552404 ESP Fit Center 1487 is at 2.518984 0.740686 4.031459 ESP Fit Center 1488 is at 0.455104 -2.470774 4.031459 ESP Fit Center 1489 is at 1.443478 -2.922150 4.031459 ESP Fit Center 1490 is at 2.518984 -2.767516 4.031459 ESP Fit Center 1491 is at 3.456365 -2.944162 3.233326 ESP Fit Center 1492 is at 2.714654 -0.909770 4.572884 ESP Fit Center 1493 is at 3.755975 -0.909770 4.335209 ESP Fit Center 1494 is at 3.235314 -0.007960 4.335209 ESP Fit Center 1495 is at 3.235314 -1.811580 4.335209 ESP Fit Center 1496 is at 4.591050 -0.909770 3.669260 ESP Fit Center 1497 is at 3.494137 -2.616599 3.669260 ESP Fit Center 1498 is at 4.293178 -1.924226 3.669260 ESP Fit Center 1499 is at 1.023768 -0.476678 4.788585 ESP Fit Center 1500 is at 1.544428 0.425132 4.550910 ESP Fit Center 1501 is at 0.503108 0.425132 4.550910 ESP Fit Center 1502 is at -0.017553 -0.476678 4.550910 ESP Fit Center 1503 is at 0.503108 -1.378488 4.550910 ESP Fit Center 1504 is at 1.803251 1.230151 3.884961 ESP Fit Center 1505 is at 0.756729 1.380619 3.884961 ESP Fit Center 1506 is at -0.205010 0.941407 3.884961 ESP Fit Center 1507 is at -0.205010 -1.894763 3.884961 ESP Fit Center 1508 is at 0.942717 -2.979819 3.926989 ESP Fit Center 1509 is at 0.234599 -3.496094 3.261040 ESP Fit Center 1510 is at 1.196338 -3.935306 3.261040 ESP Fit Center 1511 is at 2.242860 -3.784838 3.261040 ESP Fit Center 1512 is at 0.942717 -4.359172 2.298714 ESP Fit Center 1513 is at 1.984037 -4.359172 2.298714 ESP Fit Center 1514 is at 2.922235 -3.907359 2.298714 ESP Fit Center 1515 is at 0.942717 -4.359172 1.230614 ESP Fit Center 1516 is at 1.984037 -4.359172 1.230614 ESP Fit Center 1517 is at 2.922235 -3.907359 1.230614 Entering OneElI... OneElI was handed 6198049 working-precision words. Calculate electrostatic properties NBasis = 367 MinDer = 0 MaxDer = 0 NGrid = 1517 NMatD = 1 Requested accuracy = 0.1000D-05 PrsmSu: NPrtUS= 1 ThrOK=F PRISM was handed 5847217 working-precision words and 4494 shell-pairs 1470 points will be used for fitting atomic charges Fitting point charges to eletrostatic potential Charges from ESP fit, RMS= 0.00123 RRMS= 0.07317: Charge= 0.00000 Dipole= -0.8100 1.0820 2.7888 Tot= 3.0991 1 1 C 0.019126 2 C -0.240527 3 C 0.664797 4 O -0.567066 5 C -0.328841 6 C -0.015513 7 C -0.305518 8 C 0.012831 9 C 0.086579 10 C -0.395827 11 C 0.338240 12 C 0.157411 13 C -0.297709 14 C 0.376666 15 C -0.219049 16 C 0.008623 17 C -0.312085 18 C 0.541566 19 O -0.559972 20 C -0.567485 21 H 0.052611 22 H 0.105361 23 H 0.009872 24 H 0.003638 25 H 0.070450 26 H 0.065082 27 H 0.074048 28 H 0.029687 29 H 0.020175 30 H 0.110238 31 H 0.106068 32 H 0.141482 33 H 0.148758 34 H 0.145698 35 H 0.024475 36 H 0.011620 37 H 0.061955 38 H 0.074509 39 H 0.115431 40 H 0.160637 41 H 0.045303 42 H 0.032518 43 H 0.102427 44 C -0.392385 45 H 0.102367 46 H 0.098166 47 H 0.083562 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.714229 2 Atom -14.717050 3 Atom -14.632429 4 Atom -22.329066 5 Atom -14.714669 6 Atom -14.714937 7 Atom -14.725463 8 Atom -14.718463 9 Atom -14.714213 10 Atom -14.712448 11 Atom -14.694544 12 Atom -14.723258 13 Atom -14.725005 14 Atom -14.710641 15 Atom -14.715836 16 Atom -14.715320 17 Atom -14.715461 18 Atom -14.636281 19 Atom -22.327867 20 Atom -14.721956 21 Atom -1.120814 22 Atom -1.124827 23 Atom -1.123200 24 Atom -1.121321 25 Atom -1.125444 26 Atom -1.124623 27 Atom -1.118993 28 Atom -1.113031 29 Atom -1.113818 30 Atom -1.097633 31 Atom -1.097557 32 Atom -1.107765 33 Atom -1.108824 34 Atom -1.112374 35 Atom -1.112911 36 Atom -1.116123 37 Atom -1.095270 38 Atom -1.108991 39 Atom -1.106934 40 Atom -1.105866 41 Atom -1.113958 42 Atom -1.114508 43 Atom -1.090919 44 Atom -14.725350 45 Atom -1.110531 46 Atom -1.112157 47 Atom -1.112709 48 Fit 0.014592 49 Fit 0.010224 50 Fit 0.012301 51 Fit 0.018322 52 Fit 0.001379 53 Fit -0.013668 54 Fit -0.010500 55 Fit -0.022805 56 Fit -0.019001 57 Fit -0.041679 58 Fit -0.044465 59 Fit -0.036393 60 Fit -0.033705 61 Fit -0.051320 62 Fit -0.053286 63 Fit -0.052150 64 Fit -0.039440 65 Fit -0.037033 66 Fit -0.048304 67 Fit -0.055205 68 Fit -0.055013 69 Fit -0.051333 70 Fit -0.038156 71 Fit -0.039666 72 Fit -0.053384 73 Fit -0.053055 74 Fit -0.049764 75 Fit -0.038923 76 Fit -0.026176 77 Fit -0.031577 78 Fit -0.048150 79 Fit -0.044049 80 Fit 0.004955 81 Fit -0.004038 82 Fit 0.007481 83 Fit -0.003719 84 Fit -0.007478 85 Fit -0.001060 86 Fit 0.004332 87 Fit -0.010919 88 Fit 0.000132 89 Fit -0.002582 90 Fit 0.013813 91 Fit 0.007068 92 Fit 0.024443 93 Fit 0.012078 94 Fit -0.013556 95 Fit 0.013339 96 Fit 0.021078 97 Fit -0.005142 98 Fit -0.024895 99 Fit -0.028987 100 Fit -0.023192 101 Fit -0.040982 102 Fit -0.044857 103 Fit -0.044092 104 Fit -0.032518 105 Fit -0.040626 106 Fit -0.051102 107 Fit -0.052465 108 Fit -0.052512 109 Fit -0.050294 110 Fit -0.042594 111 Fit -0.053387 112 Fit -0.053945 113 Fit -0.052770 114 Fit -0.047192 115 Fit -0.020316 116 Fit -0.013018 117 Fit -0.033017 118 Fit -0.047746 119 Fit -0.048242 120 Fit -0.039998 121 Fit -0.036787 122 Fit 0.009667 123 Fit 0.013534 124 Fit 0.007541 125 Fit 0.021639 126 Fit 0.016612 127 Fit 0.019482 128 Fit 0.006767 129 Fit 0.018761 130 Fit 0.003172 131 Fit 0.016540 132 Fit 0.013299 133 Fit 0.017311 134 Fit 0.015200 135 Fit 0.014587 136 Fit 0.014806 137 Fit 0.021072 138 Fit 0.017167 139 Fit 0.018238 140 Fit 0.012161 141 Fit 0.013670 142 Fit 0.009424 143 Fit 0.013496 144 Fit 0.009697 145 Fit 0.014735 146 Fit 0.014980 147 Fit 0.009381 148 Fit 0.014156 149 Fit 0.012190 150 Fit 0.008321 151 Fit 0.010038 152 Fit -0.010216 153 Fit 0.003139 154 Fit 0.008126 155 Fit 0.009927 156 Fit -0.023872 157 Fit -0.002412 158 Fit 0.004739 159 Fit 0.008856 160 Fit -0.012816 161 Fit 0.000037 162 Fit 0.014686 163 Fit -0.022167 164 Fit -0.007789 165 Fit 0.002502 166 Fit 0.010200 167 Fit 0.011924 168 Fit 0.014473 169 Fit 0.006376 170 Fit -0.001565 171 Fit 0.005812 172 Fit 0.008557 173 Fit 0.018263 174 Fit 0.018345 175 Fit 0.019368 176 Fit 0.018193 177 Fit 0.018034 178 Fit 0.017388 179 Fit 0.013818 180 Fit 0.016371 181 Fit 0.013871 182 Fit 0.017893 183 Fit 0.018330 184 Fit 0.016266 185 Fit 0.015293 186 Fit 0.019570 187 Fit 0.018653 188 Fit 0.017785 189 Fit 0.018889 190 Fit 0.021469 191 Fit 0.019993 192 Fit 0.018358 193 Fit 0.019297 194 Fit 0.017202 195 Fit 0.014384 196 Fit 0.014459 197 Fit 0.018090 198 Fit 0.020422 199 Fit 0.018831 200 Fit 0.017667 201 Fit 0.014399 202 Fit 0.015108 203 Fit 0.015336 204 Fit 0.013612 205 Fit 0.006903 206 Fit -0.000522 207 Fit 0.011131 208 Fit 0.008053 209 Fit -0.002535 210 Fit 0.020817 211 Fit 0.016837 212 Fit 0.013054 213 Fit 0.007249 214 Fit -0.005156 215 Fit 0.018548 216 Fit 0.017454 217 Fit 0.012475 218 Fit 0.002534 219 Fit 0.009296 220 Fit 0.013485 221 Fit 0.012587 222 Fit 0.017616 223 Fit 0.016491 224 Fit 0.009327 225 Fit 0.019239 226 Fit 0.023261 227 Fit 0.017149 228 Fit 0.007913 229 Fit 0.023887 230 Fit 0.013935 231 Fit 0.020532 232 Fit 0.016870 233 Fit 0.014644 234 Fit 0.019936 235 Fit 0.013706 236 Fit 0.022819 237 Fit 0.007478 238 Fit 0.007389 239 Fit 0.008627 240 Fit 0.003201 241 Fit 0.002819 242 Fit 0.006988 243 Fit 0.009423 244 Fit 0.009979 245 Fit -0.002664 246 Fit -0.010385 247 Fit -0.000072 248 Fit 0.008591 249 Fit 0.020303 250 Fit 0.020912 251 Fit 0.018692 252 Fit 0.017720 253 Fit 0.020019 254 Fit 0.016602 255 Fit 0.015475 256 Fit 0.014805 257 Fit 0.012642 258 Fit 0.012976 259 Fit 0.007599 260 Fit 0.015133 261 Fit 0.011506 262 Fit 0.008058 263 Fit 0.009744 264 Fit 0.014311 265 Fit 0.012417 266 Fit 0.009904 267 Fit 0.011461 268 Fit 0.026761 269 Fit 0.020960 270 Fit 0.033941 271 Fit 0.020504 272 Fit 0.012065 273 Fit 0.019285 274 Fit 0.016255 275 Fit 0.013205 276 Fit 0.012117 277 Fit 0.007446 278 Fit -0.008806 279 Fit 0.009802 280 Fit 0.004282 281 Fit -0.013456 282 Fit 0.013406 283 Fit 0.010709 284 Fit 0.004489 285 Fit -0.005601 286 Fit -0.013531 287 Fit 0.011003 288 Fit 0.008396 289 Fit 0.003670 290 Fit 0.008851 291 Fit -0.007191 292 Fit 0.003369 293 Fit 0.011621 294 Fit -0.004403 295 Fit 0.009402 296 Fit -0.001775 297 Fit 0.003058 298 Fit -0.008401 299 Fit 0.009178 300 Fit 0.011022 301 Fit 0.016014 302 Fit 0.015876 303 Fit 0.016010 304 Fit 0.013971 305 Fit 0.015387 306 Fit 0.015879 307 Fit 0.002034 308 Fit 0.009784 309 Fit 0.010308 310 Fit 0.012000 311 Fit 0.014606 312 Fit 0.019537 313 Fit 0.008862 314 Fit 0.012966 315 Fit 0.016853 316 Fit 0.019219 317 Fit 0.014446 318 Fit 0.014839 319 Fit 0.014393 320 Fit 0.008547 321 Fit 0.015112 322 Fit 0.017594 323 Fit 0.018064 324 Fit 0.015360 325 Fit 0.016127 326 Fit 0.017722 327 Fit 0.017538 328 Fit 0.014452 329 Fit 0.016147 330 Fit 0.019916 331 Fit 0.017836 332 Fit 0.014087 333 Fit 0.014046 334 Fit 0.026152 335 Fit 0.012183 336 Fit 0.008317 337 Fit 0.009376 338 Fit 0.023633 339 Fit 0.010233 340 Fit 0.010195 341 Fit 0.010221 342 Fit 0.011738 343 Fit 0.012596 344 Fit 0.019091 345 Fit 0.015491 346 Fit 0.013504 347 Fit 0.026990 348 Fit 0.013723 349 Fit 0.021538 350 Fit 0.013696 351 Fit 0.010465 352 Fit 0.013253 353 Fit 0.018983 354 Fit 0.016001 355 Fit 0.009656 356 Fit 0.020375 357 Fit 0.024242 358 Fit 0.013890 359 Fit 0.013117 360 Fit 0.017913 361 Fit 0.016933 362 Fit 0.014785 363 Fit 0.018391 364 Fit 0.019538 365 Fit 0.018981 366 Fit 0.011080 367 Fit 0.015358 368 Fit 0.000631 369 Fit -0.007091 370 Fit -0.008547 371 Fit 0.005364 372 Fit -0.002949 373 Fit -0.012925 374 Fit -0.012845 375 Fit -0.029323 376 Fit -0.030654 377 Fit -0.021863 378 Fit -0.021428 379 Fit -0.038593 380 Fit -0.040199 381 Fit -0.038292 382 Fit -0.025074 383 Fit -0.034702 384 Fit -0.043527 385 Fit -0.044264 386 Fit -0.042823 387 Fit -0.035684 388 Fit -0.033302 389 Fit -0.041157 390 Fit -0.044733 391 Fit -0.044235 392 Fit -0.040352 393 Fit -0.030677 394 Fit -0.016723 395 Fit -0.030973 396 Fit -0.042123 397 Fit -0.041975 398 Fit -0.039606 399 Fit -0.031288 400 Fit -0.022182 401 Fit -0.025366 402 Fit -0.037084 403 Fit -0.034815 404 Fit 0.007079 405 Fit -0.000565 406 Fit -0.001875 407 Fit 0.000679 408 Fit 0.004439 409 Fit 0.009675 410 Fit -0.007308 411 Fit -0.000036 412 Fit -0.000263 413 Fit 0.012928 414 Fit 0.008454 415 Fit -0.013049 416 Fit -0.001830 417 Fit 0.005349 418 Fit 0.011841 419 Fit 0.011872 420 Fit 0.011693 421 Fit 0.008950 422 Fit 0.013337 423 Fit -0.005878 424 Fit -0.015497 425 Fit -0.018052 426 Fit -0.012138 427 Fit -0.028219 428 Fit -0.032507 429 Fit -0.030300 430 Fit -0.033487 431 Fit -0.039062 432 Fit -0.040198 433 Fit -0.039211 434 Fit -0.033315 435 Fit -0.026137 436 Fit -0.038891 437 Fit -0.043079 438 Fit -0.043521 439 Fit -0.042607 440 Fit -0.038439 441 Fit -0.032004 442 Fit -0.041374 443 Fit -0.042975 444 Fit -0.041480 445 Fit -0.035781 446 Fit -0.016156 447 Fit -0.011439 448 Fit -0.024940 449 Fit -0.036542 450 Fit -0.037598 451 Fit -0.030522 452 Fit -0.028306 453 Fit 0.009161 454 Fit 0.012484 455 Fit 0.007876 456 Fit 0.006829 457 Fit 0.003317 458 Fit 0.019191 459 Fit 0.015177 460 Fit 0.016971 461 Fit 0.018230 462 Fit 0.006322 463 Fit 0.012607 464 Fit 0.016306 465 Fit 0.005560 466 Fit 0.011131 467 Fit 0.014103 468 Fit 0.014321 469 Fit 0.012564 470 Fit 0.013031 471 Fit 0.012538 472 Fit 0.018645 473 Fit 0.015156 474 Fit 0.016688 475 Fit 0.011500 476 Fit 0.011952 477 Fit 0.014638 478 Fit 0.009681 479 Fit 0.009807 480 Fit 0.013796 481 Fit 0.009028 482 Fit 0.012992 483 Fit 0.008094 484 Fit 0.011010 485 Fit 0.015856 486 Fit 0.009042 487 Fit 0.012981 488 Fit 0.012427 489 Fit 0.008849 490 Fit 0.011915 491 Fit 0.010660 492 Fit 0.009811 493 Fit -0.001826 494 Fit 0.004468 495 Fit 0.007658 496 Fit -0.015346 497 Fit -0.001928 498 Fit 0.003921 499 Fit 0.006872 500 Fit -0.016061 501 Fit -0.002832 502 Fit 0.002855 503 Fit -0.007925 504 Fit 0.012357 505 Fit -0.013880 506 Fit -0.003765 507 Fit 0.003544 508 Fit 0.008877 509 Fit 0.009752 510 Fit 0.011576 511 Fit 0.008107 512 Fit -0.000990 513 Fit -0.000028 514 Fit 0.005576 515 Fit 0.006289 516 Fit 0.018136 517 Fit 0.015575 518 Fit 0.015815 519 Fit 0.016018 520 Fit 0.015402 521 Fit 0.014178 522 Fit 0.015121 523 Fit 0.014607 524 Fit 0.014392 525 Fit 0.012366 526 Fit 0.015854 527 Fit 0.014677 528 Fit 0.013173 529 Fit 0.012374 530 Fit 0.015951 531 Fit 0.015906 532 Fit 0.014904 533 Fit 0.014137 534 Fit 0.017908 535 Fit 0.016268 536 Fit 0.015772 537 Fit 0.017200 538 Fit 0.018718 539 Fit 0.018075 540 Fit 0.016652 541 Fit 0.016565 542 Fit 0.019130 543 Fit 0.016362 544 Fit 0.014418 545 Fit 0.013803 546 Fit 0.015216 547 Fit 0.019093 548 Fit 0.018258 549 Fit 0.015611 550 Fit 0.013544 551 Fit 0.013500 552 Fit 0.013822 553 Fit 0.012690 554 Fit 0.009349 555 Fit 0.003776 556 Fit 0.011989 557 Fit 0.011045 558 Fit 0.009150 559 Fit 0.004300 560 Fit -0.005861 561 Fit 0.006305 562 Fit -0.000518 563 Fit 0.013306 564 Fit 0.010026 565 Fit 0.006325 566 Fit -0.000719 567 Fit 0.017937 568 Fit 0.015310 569 Fit 0.012245 570 Fit 0.008178 571 Fit 0.000882 572 Fit -0.012990 573 Fit 0.014820 574 Fit 0.014364 575 Fit 0.011299 576 Fit 0.005322 577 Fit 0.000051 578 Fit 0.008601 579 Fit 0.010015 580 Fit 0.011137 581 Fit 0.014512 582 Fit 0.014639 583 Fit 0.010863 584 Fit 0.016700 585 Fit 0.019973 586 Fit 0.019499 587 Fit 0.016009 588 Fit 0.010233 589 Fit 0.018927 590 Fit 0.010213 591 Fit 0.012386 592 Fit 0.017047 593 Fit 0.015712 594 Fit 0.009376 595 Fit 0.013672 596 Fit 0.018541 597 Fit 0.013456 598 Fit 0.018309 599 Fit 0.005409 600 Fit 0.006513 601 Fit 0.007509 602 Fit 0.002349 603 Fit 0.003621 604 Fit 0.006249 605 Fit 0.007945 606 Fit -0.005885 607 Fit -0.004122 608 Fit 0.001237 609 Fit 0.005927 610 Fit 0.008881 611 Fit -0.018610 612 Fit -0.003084 613 Fit 0.017813 614 Fit 0.016471 615 Fit 0.017884 616 Fit 0.015598 617 Fit 0.014229 618 Fit 0.014668 619 Fit 0.012779 620 Fit 0.011516 621 Fit 0.010261 622 Fit 0.002304 623 Fit 0.004684 624 Fit 0.007717 625 Fit 0.011483 626 Fit 0.009435 627 Fit 0.005402 628 Fit 0.006251 629 Fit 0.010039 630 Fit 0.011481 631 Fit 0.009476 632 Fit 0.007731 633 Fit 0.008707 634 Fit 0.018541 635 Fit 0.027047 636 Fit 0.018553 637 Fit 0.017634 638 Fit 0.011769 639 Fit 0.016623 640 Fit 0.014426 641 Fit 0.012281 642 Fit 0.017288 643 Fit 0.013002 644 Fit 0.009676 645 Fit 0.006110 646 Fit 0.008030 647 Fit 0.002919 648 Fit -0.016342 649 Fit 0.013268 650 Fit 0.009470 651 Fit 0.005878 652 Fit -0.000827 653 Fit -0.014893 654 Fit 0.010020 655 Fit 0.007031 656 Fit 0.000524 657 Fit -0.006988 658 Fit -0.014766 659 Fit 0.001597 660 Fit 0.007627 661 Fit 0.003689 662 Fit 0.001151 663 Fit 0.006868 664 Fit 0.001928 665 Fit 0.007641 666 Fit 0.011331 667 Fit -0.007104 668 Fit 0.003540 669 Fit 0.010711 670 Fit -0.013417 671 Fit 0.001859 672 Fit -0.009714 673 Fit -0.000373 674 Fit 0.006157 675 Fit 0.008182 676 Fit 0.007995 677 Fit 0.012378 678 Fit 0.012180 679 Fit 0.012651 680 Fit 0.013036 681 Fit 0.012554 682 Fit 0.013318 683 Fit 0.014268 684 Fit 0.008418 685 Fit 0.010793 686 Fit 0.012165 687 Fit -0.000737 688 Fit 0.005656 689 Fit 0.008348 690 Fit 0.011206 691 Fit 0.013614 692 Fit 0.007242 693 Fit 0.010308 694 Fit 0.012485 695 Fit 0.015887 696 Fit 0.007992 697 Fit 0.010365 698 Fit 0.013280 699 Fit 0.015692 700 Fit 0.015758 701 Fit 0.011494 702 Fit 0.012454 703 Fit 0.013066 704 Fit 0.007703 705 Fit 0.012249 706 Fit 0.014767 707 Fit 0.016178 708 Fit 0.013541 709 Fit 0.014982 710 Fit 0.015804 711 Fit 0.014090 712 Fit 0.013807 713 Fit 0.015160 714 Fit 0.012454 715 Fit 0.013112 716 Fit 0.016552 717 Fit 0.014977 718 Fit 0.012473 719 Fit 0.012194 720 Fit 0.014835 721 Fit 0.020272 722 Fit 0.010769 723 Fit 0.008089 724 Fit 0.008432 725 Fit 0.007873 726 Fit 0.004357 727 Fit 0.017946 728 Fit 0.003503 729 Fit 0.009831 730 Fit 0.010373 731 Fit 0.009824 732 Fit 0.009701 733 Fit 0.010798 734 Fit 0.015155 735 Fit 0.011361 736 Fit 0.015465 737 Fit 0.014117 738 Fit 0.012682 739 Fit 0.020772 740 Fit 0.013087 741 Fit 0.017524 742 Fit 0.012176 743 Fit 0.011402 744 Fit 0.014793 745 Fit 0.015795 746 Fit 0.012364 747 Fit 0.009484 748 Fit 0.014732 749 Fit 0.020316 750 Fit 0.017294 751 Fit 0.004509 752 Fit 0.011966 753 Fit 0.011009 754 Fit 0.015519 755 Fit 0.014369 756 Fit 0.013511 757 Fit 0.012713 758 Fit 0.015857 759 Fit 0.015883 760 Fit 0.015526 761 Fit 0.016907 762 Fit 0.017057 763 Fit 0.010503 764 Fit 0.008829 765 Fit 0.010790 766 Fit -0.001286 767 Fit 0.007290 768 Fit -0.004877 769 Fit -0.023250 770 Fit -0.024177 771 Fit -0.018233 772 Fit -0.017198 773 Fit -0.031540 774 Fit -0.032651 775 Fit -0.030875 776 Fit -0.022891 777 Fit -0.020659 778 Fit -0.028179 779 Fit -0.035869 780 Fit -0.036443 781 Fit -0.035037 782 Fit -0.029665 783 Fit -0.027183 784 Fit -0.033528 785 Fit -0.036837 786 Fit -0.036631 787 Fit -0.033721 788 Fit -0.026870 789 Fit -0.017252 790 Fit -0.025954 791 Fit -0.034293 792 Fit -0.034331 793 Fit -0.032438 794 Fit -0.025063 795 Fit -0.016920 796 Fit -0.019179 797 Fit -0.029397 798 Fit -0.027983 799 Fit 0.006733 800 Fit 0.006509 801 Fit -0.003530 802 Fit -0.002831 803 Fit 0.002001 804 Fit 0.002183 805 Fit 0.002658 806 Fit 0.005374 807 Fit 0.008210 808 Fit -0.001398 809 Fit 0.008211 810 Fit -0.004666 811 Fit 0.000413 812 Fit -0.000396 813 Fit 0.001460 814 Fit 0.010796 815 Fit 0.011134 816 Fit 0.008581 817 Fit 0.010789 818 Fit 0.004190 819 Fit -0.001917 820 Fit 0.004547 821 Fit 0.011194 822 Fit 0.011525 823 Fit 0.009875 824 Fit -0.006277 825 Fit -0.006972 826 Fit -0.005436 827 Fit -0.010900 828 Fit -0.017053 829 Fit -0.024584 830 Fit -0.025673 831 Fit -0.020940 832 Fit -0.021279 833 Fit -0.029555 834 Fit -0.032421 835 Fit -0.032590 836 Fit -0.030210 837 Fit -0.026788 838 Fit -0.033492 839 Fit -0.035619 840 Fit -0.035570 841 Fit -0.033722 842 Fit -0.028214 843 Fit -0.018706 844 Fit -0.030410 845 Fit -0.034743 846 Fit -0.035065 847 Fit -0.032750 848 Fit -0.026448 849 Fit -0.011135 850 Fit -0.018697 851 Fit -0.029263 852 Fit -0.030486 853 Fit -0.023917 854 Fit -0.022091 855 Fit 0.008924 856 Fit 0.011757 857 Fit 0.007574 858 Fit 0.006757 859 Fit 0.014939 860 Fit 0.004956 861 Fit 0.003691 862 Fit 0.017386 863 Fit 0.013744 864 Fit 0.015660 865 Fit 0.009561 866 Fit 0.012760 867 Fit 0.012994 868 Fit 0.011193 869 Fit 0.010930 870 Fit 0.013454 871 Fit 0.010294 872 Fit 0.011137 873 Fit 0.009337 874 Fit 0.013387 875 Fit 0.007675 876 Fit 0.010569 877 Fit 0.008513 878 Fit 0.011901 879 Fit 0.007441 880 Fit 0.010284 881 Fit 0.009616 882 Fit 0.009414 883 Fit -0.000350 884 Fit 0.004434 885 Fit 0.007348 886 Fit -0.010169 887 Fit -0.000856 888 Fit 0.003763 889 Fit 0.006865 890 Fit -0.010758 891 Fit -0.001592 892 Fit 0.003277 893 Fit -0.008010 894 Fit -0.010759 895 Fit -0.001895 896 Fit 0.004299 897 Fit 0.008839 898 Fit 0.008598 899 Fit 0.010298 900 Fit 0.006646 901 Fit -0.002567 902 Fit -0.001164 903 Fit 0.004531 904 Fit 0.004868 905 Fit 0.013818 906 Fit 0.014097 907 Fit 0.014217 908 Fit 0.012844 909 Fit 0.013290 910 Fit 0.012564 911 Fit 0.014050 912 Fit 0.011939 913 Fit 0.014511 914 Fit 0.013333 915 Fit 0.012180 916 Fit 0.011419 917 Fit 0.014113 918 Fit 0.013374 919 Fit 0.012715 920 Fit 0.014573 921 Fit 0.014147 922 Fit 0.015877 923 Fit 0.016751 924 Fit 0.016633 925 Fit 0.015024 926 Fit 0.014785 927 Fit 0.017100 928 Fit 0.015688 929 Fit 0.013745 930 Fit 0.012664 931 Fit 0.013151 932 Fit 0.015598 933 Fit 0.016708 934 Fit 0.013688 935 Fit 0.011329 936 Fit 0.011405 937 Fit 0.012456 938 Fit 0.011234 939 Fit 0.008895 940 Fit 0.004591 941 Fit -0.000492 942 Fit 0.010034 943 Fit 0.008356 944 Fit 0.005013 945 Fit -0.001744 946 Fit 0.006687 947 Fit 0.001963 948 Fit -0.008443 949 Fit 0.009912 950 Fit 0.006929 951 Fit 0.014236 952 Fit 0.011317 953 Fit 0.008064 954 Fit 0.003008 955 Fit -0.006523 956 Fit 0.012842 957 Fit 0.012233 958 Fit 0.009042 959 Fit 0.003068 960 Fit -0.002476 961 Fit 0.006239 962 Fit 0.007696 963 Fit 0.010250 964 Fit 0.013444 965 Fit 0.013002 966 Fit 0.009549 967 Fit 0.015464 968 Fit 0.011219 969 Fit 0.006300 970 Fit 0.012494 971 Fit 0.003650 972 Fit 0.011399 973 Fit 0.015409 974 Fit 0.014584 975 Fit 0.012330 976 Fit 0.013267 977 Fit 0.016514 978 Fit 0.004932 979 Fit 0.005613 980 Fit 0.007199 981 Fit 0.001308 982 Fit 0.003054 983 Fit 0.005488 984 Fit 0.007533 985 Fit -0.004827 986 Fit -0.008002 987 Fit -0.004180 988 Fit 0.001045 989 Fit 0.005503 990 Fit 0.008853 991 Fit -0.015892 992 Fit 0.015559 993 Fit 0.014726 994 Fit 0.014689 995 Fit 0.013256 996 Fit 0.012446 997 Fit 0.012157 998 Fit 0.010999 999 Fit 0.010348 1000 Fit 0.001315 1001 Fit 0.004206 1002 Fit 0.010161 1003 Fit 0.003089 1004 Fit 0.003891 1005 Fit 0.008222 1006 Fit 0.009958 1007 Fit 0.008190 1008 Fit 0.006250 1009 Fit 0.006851 1010 Fit 0.015918 1011 Fit 0.015197 1012 Fit 0.009101 1013 Fit 0.014182 1014 Fit 0.011985 1015 Fit 0.009933 1016 Fit 0.014605 1017 Fit 0.010883 1018 Fit 0.007762 1019 Fit 0.004029 1020 Fit -0.017771 1021 Fit 0.010994 1022 Fit 0.007561 1023 Fit 0.003788 1024 Fit -0.002905 1025 Fit -0.016483 1026 Fit 0.007840 1027 Fit 0.004437 1028 Fit -0.002123 1029 Fit -0.008639 1030 Fit 0.006102 1031 Fit 0.001882 1032 Fit -0.000346 1033 Fit 0.006145 1034 Fit 0.000093 1035 Fit 0.005242 1036 Fit 0.009128 1037 Fit -0.009733 1038 Fit 0.000407 1039 Fit 0.007219 1040 Fit -0.017260 1041 Fit -0.001944 1042 Fit -0.011238 1043 Fit -0.001666 1044 Fit 0.007477 1045 Fit 0.010590 1046 Fit 0.010274 1047 Fit 0.010991 1048 Fit 0.010046 1049 Fit 0.011048 1050 Fit 0.012211 1051 Fit 0.005676 1052 Fit 0.008299 1053 Fit 0.010097 1054 Fit 0.004293 1055 Fit 0.008845 1056 Fit 0.010712 1057 Fit 0.013559 1058 Fit 0.006621 1059 Fit 0.008845 1060 Fit 0.011711 1061 Fit 0.014204 1062 Fit 0.014424 1063 Fit 0.010386 1064 Fit 0.010841 1065 Fit 0.012309 1066 Fit 0.011043 1067 Fit 0.013412 1068 Fit 0.015530 1069 Fit 0.011882 1070 Fit 0.012989 1071 Fit 0.014128 1072 Fit 0.012297 1073 Fit 0.013251 1074 Fit 0.011796 1075 Fit 0.014247 1076 Fit 0.012558 1077 Fit 0.010563 1078 Fit 0.010574 1079 Fit 0.017548 1080 Fit 0.008222 1081 Fit 0.006264 1082 Fit 0.007069 1083 Fit 0.014248 1084 Fit 0.009683 1085 Fit 0.010128 1086 Fit 0.009684 1087 Fit 0.009466 1088 Fit 0.010466 1089 Fit 0.010277 1090 Fit 0.013200 1091 Fit 0.010617 1092 Fit 0.013721 1093 Fit 0.012790 1094 Fit 0.011586 1095 Fit 0.018183 1096 Fit 0.012885 1097 Fit 0.015884 1098 Fit 0.011229 1099 Fit 0.010617 1100 Fit 0.013334 1101 Fit 0.014354 1102 Fit 0.011603 1103 Fit 0.008575 1104 Fit 0.011664 1105 Fit 0.014503 1106 Fit 0.011115 1107 Fit 0.010377 1108 Fit 0.013416 1109 Fit 0.012592 1110 Fit 0.012108 1111 Fit 0.013935 1112 Fit 0.014093 1113 Fit 0.014308 1114 Fit 0.016419 1115 Fit 0.009201 1116 Fit 0.009036 1117 Fit 0.007839 1118 Fit 0.007068 1119 Fit 0.009659 1120 Fit 0.006609 1121 Fit 0.002616 1122 Fit -0.004052 1123 Fit 0.001823 1124 Fit 0.008114 1125 Fit -0.005574 1126 Fit -0.005259 1127 Fit -0.016163 1128 Fit -0.016840 1129 Fit -0.012734 1130 Fit -0.011387 1131 Fit -0.023873 1132 Fit -0.024771 1133 Fit -0.023064 1134 Fit -0.014515 1135 Fit -0.020767 1136 Fit -0.028491 1137 Fit -0.029181 1138 Fit -0.028396 1139 Fit -0.025161 1140 Fit -0.022116 1141 Fit -0.026419 1142 Fit -0.030670 1143 Fit -0.031005 1144 Fit -0.029791 1145 Fit -0.026190 1146 Fit -0.019640 1147 Fit -0.012008 1148 Fit -0.024019 1149 Fit -0.028758 1150 Fit -0.030549 1151 Fit -0.030474 1152 Fit -0.028395 1153 Fit -0.023925 1154 Fit -0.017610 1155 Fit -0.022820 1156 Fit -0.028435 1157 Fit -0.028028 1158 Fit -0.026607 1159 Fit -0.020773 1160 Fit -0.014601 1161 Fit -0.016103 1162 Fit -0.023792 1163 Fit -0.022875 1164 Fit 0.006563 1165 Fit 0.006472 1166 Fit 0.000055 1167 Fit -0.000497 1168 Fit 0.005030 1169 Fit 0.004808 1170 Fit 0.004203 1171 Fit 0.006267 1172 Fit 0.005994 1173 Fit 0.007579 1174 Fit -0.002516 1175 Fit 0.003019 1176 Fit 0.006835 1177 Fit -0.003022 1178 Fit 0.000788 1179 Fit 0.001465 1180 Fit 0.002453 1181 Fit 0.010698 1182 Fit 0.009180 1183 Fit 0.008808 1184 Fit 0.004256 1185 Fit 0.012708 1186 Fit 0.011134 1187 Fit 0.010968 1188 Fit 0.010333 1189 Fit 0.009972 1190 Fit 0.009597 1191 Fit 0.007487 1192 Fit -0.012246 1193 Fit -0.014415 1194 Fit -0.002858 1195 Fit -0.004733 1196 Fit -0.015095 1197 Fit -0.018528 1198 Fit -0.017399 1199 Fit -0.018840 1200 Fit -0.023676 1201 Fit -0.025201 1202 Fit -0.024374 1203 Fit -0.020505 1204 Fit -0.016584 1205 Fit -0.023926 1206 Fit -0.027539 1207 Fit -0.028812 1208 Fit -0.028604 1209 Fit -0.026822 1210 Fit -0.022280 1211 Fit -0.018184 1212 Fit -0.025627 1213 Fit -0.029081 1214 Fit -0.030041 1215 Fit -0.029414 1216 Fit -0.026982 1217 Fit -0.021802 1218 Fit -0.020998 1219 Fit -0.026699 1220 Fit -0.028660 1221 Fit -0.028165 1222 Fit -0.025355 1223 Fit -0.019464 1224 Fit -0.009136 1225 Fit -0.006306 1226 Fit -0.014806 1227 Fit -0.023208 1228 Fit -0.024385 1229 Fit -0.018893 1230 Fit -0.017519 1231 Fit 0.008611 1232 Fit 0.011006 1233 Fit 0.007301 1234 Fit 0.006674 1235 Fit 0.008743 1236 Fit 0.013626 1237 Fit 0.005024 1238 Fit 0.008885 1239 Fit 0.002523 1240 Fit 0.008575 1241 Fit 0.015898 1242 Fit 0.013173 1243 Fit 0.014594 1244 Fit 0.010533 1245 Fit 0.013762 1246 Fit 0.008632 1247 Fit 0.011159 1248 Fit 0.011325 1249 Fit 0.009937 1250 Fit 0.009630 1251 Fit 0.012609 1252 Fit 0.009923 1253 Fit 0.010800 1254 Fit 0.008791 1255 Fit 0.010892 1256 Fit 0.007844 1257 Fit 0.010532 1258 Fit 0.007129 1259 Fit 0.009890 1260 Fit 0.007219 1261 Fit 0.009948 1262 Fit 0.006621 1263 Fit 0.008837 1264 Fit 0.008744 1265 Fit 0.001119 1266 Fit 0.004555 1267 Fit 0.007405 1268 Fit -0.015440 1269 Fit -0.004357 1270 Fit 0.001333 1271 Fit 0.004776 1272 Fit -0.008571 1273 Fit -0.001251 1274 Fit 0.002954 1275 Fit -0.011367 1276 Fit -0.002764 1277 Fit -0.008714 1278 Fit -0.001579 1279 Fit 0.003683 1280 Fit 0.007550 1281 Fit 0.007252 1282 Fit 0.008514 1283 Fit 0.005132 1284 Fit -0.002079 1285 Fit -0.001017 1286 Fit 0.003764 1287 Fit 0.003877 1288 Fit 0.014602 1289 Fit 0.012076 1290 Fit 0.012348 1291 Fit 0.012312 1292 Fit 0.010535 1293 Fit 0.011432 1294 Fit 0.010909 1295 Fit 0.013295 1296 Fit 0.012321 1297 Fit 0.011150 1298 Fit 0.010532 1299 Fit 0.013012 1300 Fit 0.012353 1301 Fit 0.011535 1302 Fit 0.010916 1303 Fit 0.012755 1304 Fit 0.012114 1305 Fit 0.011905 1306 Fit 0.013311 1307 Fit 0.013016 1308 Fit 0.014643 1309 Fit 0.015194 1310 Fit 0.015384 1311 Fit 0.013925 1312 Fit 0.013649 1313 Fit 0.015391 1314 Fit 0.014480 1315 Fit 0.013033 1316 Fit 0.012169 1317 Fit 0.012475 1318 Fit 0.014177 1319 Fit 0.012562 1320 Fit 0.010357 1321 Fit 0.011860 1322 Fit 0.010296 1323 Fit 0.008116 1324 Fit 0.004812 1325 Fit 0.001716 1326 Fit 0.010171 1327 Fit 0.008764 1328 Fit 0.006597 1329 Fit 0.002784 1330 Fit -0.003784 1331 Fit 0.007061 1332 Fit 0.004169 1333 Fit -0.001112 1334 Fit -0.011827 1335 Fit 0.009777 1336 Fit 0.007080 1337 Fit 0.003430 1338 Fit -0.003189 1339 Fit 0.014414 1340 Fit 0.012289 1341 Fit 0.009768 1342 Fit 0.006753 1343 Fit 0.002166 1344 Fit -0.005769 1345 Fit 0.010482 1346 Fit 0.010164 1347 Fit 0.007283 1348 Fit 0.002151 1349 Fit -0.002076 1350 Fit 0.004637 1351 Fit 0.006039 1352 Fit 0.009577 1353 Fit 0.012134 1354 Fit 0.011393 1355 Fit 0.008705 1356 Fit 0.015383 1357 Fit 0.015087 1358 Fit 0.013023 1359 Fit 0.009677 1360 Fit 0.006118 1361 Fit 0.012467 1362 Fit 0.006533 1363 Fit 0.010633 1364 Fit 0.013567 1365 Fit 0.013173 1366 Fit 0.011173 1367 Fit 0.011737 1368 Fit 0.014317 1369 Fit 0.005230 1370 Fit 0.001979 1371 Fit 0.003034 1372 Fit 0.004981 1373 Fit 0.007040 1374 Fit -0.003374 1375 Fit -0.003312 1376 Fit -0.000506 1377 Fit 0.002834 1378 Fit 0.005857 1379 Fit -0.007893 1380 Fit -0.000695 1381 Fit 0.014242 1382 Fit 0.013103 1383 Fit 0.012287 1384 Fit 0.011882 1385 Fit 0.010849 1386 Fit 0.010140 1387 Fit 0.009301 1388 Fit -0.000334 1389 Fit 0.004116 1390 Fit 0.008824 1391 Fit 0.002009 1392 Fit 0.002727 1393 Fit 0.006684 1394 Fit 0.008315 1395 Fit 0.007003 1396 Fit 0.005043 1397 Fit 0.005482 1398 Fit 0.014600 1399 Fit 0.013862 1400 Fit 0.009272 1401 Fit 0.013110 1402 Fit 0.011276 1403 Fit 0.009671 1404 Fit 0.012671 1405 Fit 0.010001 1406 Fit 0.007521 1407 Fit 0.004678 1408 Fit 0.006540 1409 Fit 0.002857 1410 Fit -0.003071 1411 Fit 0.008359 1412 Fit 0.005486 1413 Fit 0.001680 1414 Fit -0.005011 1415 Fit -0.015200 1416 Fit 0.006090 1417 Fit 0.002779 1418 Fit -0.003246 1419 Fit -0.008270 1420 Fit 0.004404 1421 Fit 0.000408 1422 Fit -0.001283 1423 Fit 0.001077 1424 Fit 0.004645 1425 Fit 0.007453 1426 Fit -0.006819 1427 Fit 0.000131 1428 Fit 0.005336 1429 Fit -0.016430 1430 Fit -0.004244 1431 Fit 0.003192 1432 Fit -0.004933 1433 Fit -0.012807 1434 Fit 0.006572 1435 Fit 0.008615 1436 Fit 0.009453 1437 Fit 0.008645 1438 Fit 0.009437 1439 Fit 0.010588 1440 Fit 0.007158 1441 Fit 0.008699 1442 Fit 0.010094 1443 Fit 0.002555 1444 Fit 0.005924 1445 Fit 0.008113 1446 Fit 0.002869 1447 Fit 0.010636 1448 Fit 0.004814 1449 Fit 0.007754 1450 Fit 0.009725 1451 Fit 0.012155 1452 Fit 0.014855 1453 Fit 0.006286 1454 Fit 0.007882 1455 Fit 0.010371 1456 Fit 0.012479 1457 Fit 0.012578 1458 Fit 0.009397 1459 Fit 0.009601 1460 Fit 0.011770 1461 Fit 0.010246 1462 Fit 0.012346 1463 Fit 0.014615 1464 Fit 0.010616 1465 Fit 0.011767 1466 Fit 0.013010 1467 Fit 0.011256 1468 Fit 0.011886 1469 Fit 0.013055 1470 Fit 0.011084 1471 Fit 0.011613 1472 Fit 0.012535 1473 Fit 0.011144 1474 Fit 0.009653 1475 Fit 0.009945 1476 Fit 0.014989 1477 Fit 0.007924 1478 Fit 0.006395 1479 Fit 0.006932 1480 Fit 0.007363 1481 Fit 0.012413 1482 Fit 0.001618 1483 Fit 0.009415 1484 Fit 0.009759 1485 Fit 0.009411 1486 Fit 0.009153 1487 Fit 0.010051 1488 Fit 0.010654 1489 Fit 0.009742 1490 Fit 0.009636 1491 Fit 0.011999 1492 Fit 0.010029 1493 Fit 0.011924 1494 Fit 0.011380 1495 Fit 0.010577 1496 Fit 0.014768 1497 Fit 0.011437 1498 Fit 0.013273 1499 Fit 0.010507 1500 Fit 0.010126 1501 Fit 0.011988 1502 Fit 0.012730 1503 Fit 0.010874 1504 Fit 0.009105 1505 Fit 0.011169 1506 Fit 0.014726 1507 Fit 0.012922 1508 Fit 0.010248 1509 Fit 0.011785 1510 Fit 0.011028 1511 Fit 0.010745 1512 Fit 0.012081 1513 Fit 0.012032 1514 Fit 0.012455 1515 Fit 0.013136 1516 Fit 0.013835 1517 Fit 0.014724 ----------------------------------------------------------------- Leave Link 602 at Wed Oct 4 18:20:43 2006, MaxMem= 6291456 cpu: 2.7 Test job not archived. 1\1\GINC-CLUSTER503\SP\RMP2-FC\6-31G(d)\C19H26O2\DKCHAKS1\04-Oct-2006\ 0\\#N MP2/6-31G* POP=MK IOP(6/33=2)\\# start structure\\0,1\C,0,2.5097 24,-1.363968,-0.658692\C,0,4.024972,-1.363024,-0.378158\C,0,4.587078,0 .047501,-0.365228\O,0,5.590346,0.369906,-0.97021\C,0,3.792293,1.032448 ,0.486198\C,0,2.290021,0.945084,0.268073\C,0,1.583613,2.063065,0.06246 7\C,0,0.093863,2.117607,-0.117049\C,0,-0.603318,0.810488,0.287766\C,0, 0.195581,-0.40601,-0.263341\C,0,1.666056,-0.455847,0.28699\C,0,-0.5618 7,-1.750536,-0.099849\C,0,-2.026612,-1.72037,-0.584394\C,0,-2.776805,- 0.560318,0.076394\C,0,-2.037355,0.75625,-0.250655\C,0,-3.054097,1.8653 14,0.093459\C,0,-4.388196,1.272976,-0.418721\C,0,-4.176168,-0.253931,- 0.471369\O,0,-4.981394,-1.063435,-0.877586\C,0,-2.982017,-0.812765,1.5 93715\H,0,-0.623536,0.76395,1.386106\H,0,0.287644,-0.224194,-1.346698\ H,0,-0.552106,-2.055001,0.952151\H,0,-0.029426,-2.539002,-0.644284\H,0 ,-2.514313,-2.678566,-0.36922\H,0,-2.059009,-1.593011,-1.6751\H,0,-1.9 42597,0.771298,-1.351559\H,0,-2.812481,2.820301,-0.383067\H,0,-3.09053 5,2.045186,1.174635\H,0,-5.261314,1.516031,0.196509\H,0,-4.621191,1.61 2343,-1.435846\H,0,-3.534383,-0.002103,2.080995\H,0,-2.032336,-0.92439 9,2.123907\H,0,-3.559484,-1.733399,1.731096\H,0,2.1436,-2.395282,-0.60 4529\H,0,2.350722,-1.028281,-1.692227\H,0,4.225694,-1.816062,0.603781\ H,0,4.567095,-1.950725,-1.124962\H,0,4.165454,2.042311,0.295279\H,0,2. 111761,3.016051,0.025289\H,0,-0.139412,2.350859,-1.169849\H,0,-0.31386 7,2.957584,0.46237\H,0,4.032549,0.793506,1.535863\C,0,1.717913,-1.0134 15,1.733326\H,0,2.714654,-0.90977,2.172884\H,0,1.023768,-0.476678,2.38 8585\H,0,1.463377,-2.078009,1.764664\\Version=IA32L-G03RevC.01\State=1 -A\HF=-884.3630242\MP2=-887.1920495\RMSD=3.750e-09\PG=C01 [X(C19H26O2) ]\\@ I think that all right-thinking people in this country are sick and tired of being told that ordinary, decent people are fed up in this country with being sick and tired. I'm certainly not! But I'm sick and tired of being told that I am! -- Monty Python Job cpu time: 0 days 1 hours 17 minutes 3.7 seconds. File lengths (MBytes): RWF= 8227 Int= 0 D2E= 0 Chk= 12 Scr= 1 Normal termination of Gaussian 03 at Wed Oct 4 18:20:47 2006.