$CONTRL SCFTYP=RHF RUNTYP=gradient nprint=-5 $END $SYSTEM TIMLIM=300000 MEMORY=100000000 mklnp=2 $END $smp csmtx=.t. $end $p2p p2p=.t. dlb=.t. $end $BASIS GBASIS=PM3 $END $GUESS GUESS=HUCKEL $END $scf soscf=.t. $end $DATA 540-carbon fullerene PM3 C1 C 6.0 -0.9502501 -5.701202 11.05954 C 6.0 -0.9502534 -4.316603 11.05995 C 6.0 0.366632 -3.888721 11.05994 C 6.0 1.180695 -5.008749 11.05927 C 6.0 0.3667214 -6.128831 11.05913 C 6.0 -1.94101 -6.420517 10.41655 C 6.0 -3.05633 -5.71241 9.957234 C 6.0 -3.056236 -4.305001 9.957632 C 6.0 -1.941038 -3.59693 10.4175 C 6.0 -1.612049 -2.317381 9.958374 C 6.0 -0.2734255 -1.882379 9.95845 C 6.0 0.7450068 -2.724089 10.41748 C 6.0 2.063338 -2.641326 9.957647 C 6.0 2.890899 -3.779783 9.957079 C 6.0 2.405089 -5.008367 10.41635 C 6.0 2.891165 -6.236416 9.955856 C 6.0 2.06371 -7.375009 9.955254 C 6.0 0.7452176 -7.292803 10.41542 C 6.0 -0.273272 -8.134322 9.95554 C 6.0 -1.612215 -7.699765 9.956201 C 6.0 -2.5857 -8.401692 9.243564 C 6.0 -3.817869 -7.783282 8.972365 C 6.0 -4.025115 -6.420555 9.244604 C 6.0 -5.083938 -5.710349 8.661954 C 6.0 -5.083677 -4.306259 8.662467 C 6.0 -4.024873 -3.596336 9.245378 C 6.0 -3.81715 -2.233573 8.974397 C 6.0 -2.585363 -1.615286 9.246222 C 6.0 -2.237165 -0.3886639 8.664265 C 6.0 -0.9019709 0.04539468 8.664373 C 6.0 0.1010003 -0.7421301 9.246359 C 6.0 1.460984 -0.5181226 8.974601 C 6.0 2.42998 -1.498653 9.245386 C 6.0 3.703606 -1.450634 8.662362 C 6.0 4.52891 -2.586357 8.661781 C 6.0 4.090619 -3.783403 9.244191 C 6.0 4.723941 -5.007505 8.971981 C 6.0 4.091068 -6.232183 9.242994 C 6.0 4.530038 -7.428463 8.65896 C 6.0 3.70462 -8.564189 8.658428 C 6.0 2.430942 -8.516846 9.24165 C 6.0 1.461845 -9.497108 8.969687 C 6.0 0.1015247 -9.273917 9.242017 C 6.0 -0.9015942 -10.06124 8.659076 C 6.0 -2.237539 -9.627706 8.659719 C 6.0 -9.725508 -6.118343 -5.26969 C 6.0 -9.36037 -4.998031 -5.996739 C 6.0 -9.722783 -3.87903 -5.266416 C 6.0 -10.31373 -4.30743 -4.089729 C 6.0 -10.31543 -5.692024 -4.091607 C 6.0 -8.982302 -7.283258 -5.323726 C 6.0 -7.982757 -7.364956 -6.299089 C 6.0 -7.612408 -6.226418 -7.039511 C 6.0 -8.239502 -4.998123 -6.806908 C 6.0 -7.607931 -3.770828 -7.033621 C 6.0 -7.974821 -2.634313 -6.2892 C 6.0 -8.975398 -2.716697 -5.315363 C 6.0 -9.017667 -1.876983 -4.197723 C 6.0 -9.618062 -2.311815 -3.001538 C 6.0 -10.17947 -3.589936 -2.915119 C 6.0 -10.26561 -4.299531 -1.712817 C 6.0 -10.26718 -5.706896 -1.714692 C 6.0 -10.18361 -6.413435 -2.919076 C 6.0 -9.625013 -7.692667 -3.00951 C 6.0 -9.026201 -8.12559 -4.207747 C 6.0 -8.22009 -9.264808 -4.224301 C 6.0 -7.369401 -9.486908 -5.320338 C 6.0 -7.18007 -8.506526 -6.309188 C 6.0 -6.090298 -8.55245 -7.189888 C 6.0 -5.721196 -7.417102 -7.929352 C 6.0 -6.439135 -6.220841 -7.795852 C 6.0 -5.911067 -4.996809 -8.239887 C 6.0 -6.434817 -3.773633 -7.789906 C 6.0 -5.713912 -2.578386 -7.919031 C 6.0 -6.080127 -1.445081 -7.176005 C 6.0 -7.170328 -1.493997 -6.296497 C 6.0 -7.358615 -0.5155625 -5.306245 C 6.0 -8.210605 -0.7387896 -4.211925 C 6.0 -8.139127 0.04828178 -3.054729 C 6.0 -8.738014 -0.3851533 -1.861105 C 6.0 -9.415297 -1.611231 -1.811687 C 6.0 -9.723338 -2.230398 -0.5889613 C 6.0 -10.05901 -3.593072 -0.5270077 C 6.0 -10.00998 -4.303493 0.6801049 C 6.0 -10.01024 -5.707332 0.6781189 C 6.0 -10.06037 -6.415888 -0.530372 C 6.0 -9.726487 -7.77884 -0.595982 C 6.0 -9.42154 -8.395784 -1.820923 C 6.0 -8.74436 -9.621901 -1.872222 C 6.0 -8.147148 -10.05329 -3.067495 C 6.0 -7.935226 -11.62711 4.089126 C 6.0 -8.749158 -10.50712 4.089662 C 6.0 -8.52342 -9.815306 5.26783 C 6.0 -7.57115 -10.50768 5.996369 C 6.0 -7.207512 -11.62725 5.267148 C 6.0 -7.405582 -12.13027 2.914908 C 6.0 -7.892824 -11.60931 1.711577 C 6.0 -8.72005 -10.47085 1.712144 C 6.0 -9.064806 -9.847543 2.915895 C 6.0 -9.362804 -8.484147 3.005425 C 6.0 -9.133203 -7.781155 4.202892 C 6.0 -8.6038 -8.435888 5.319606 C 6.0 -7.843173 -7.781842 6.294548 C 6.0 -6.875825 -8.48577 7.035753 C 6.0 -6.663141 -9.848848 6.805425 C 6.0 -5.432307 -10.47266 7.034605 C 6.0 -5.062288 -11.60975 6.292175 C 6.0 -5.920312 -12.13015 5.317642 C 6.0 -5.46092 -12.83478 4.200076 C 6.0 -6.20072 -12.83496 3.002608 C 6.0 -5.624865 -13.28281 1.812825 C 6.0 -6.238305 -12.96444 0.5894169 C 6.0 -7.31146 -12.06017 0.5255259 C 6.0 -7.690506 -11.45733 -0.6820893 C 6.0 -8.516078 -10.32181 -0.6818516 C 6.0 -8.970551 -9.77719 0.52711 C 6.0 -9.498418 -8.477032 0.5919825 C 6.0 -9.61091 -7.797053 1.81628 C 6.0 -9.782821 -6.40715 1.868359 C 6.0 -9.554439 -5.706225 3.063303 C 6.0 -9.150846 -6.386037 4.22051 C 6.0 -8.594511 -5.705506 5.316576 C 6.0 -7.865337 -6.386641 6.305364 C 6.0 -7.012266 -5.707487 7.186105 C 6.0 -6.046814 -6.40955 7.925239 C 6.0 -5.92418 -7.79961 7.792052 C 6.0 -4.778992 -8.481103 8.237387 C 6.0 -4.484927 -9.780347 7.790777 C 6.0 -3.200607 -10.32662 7.922677 C 6.0 -2.831268 -11.46099 7.182114 C 6.0 -3.741808 -12.06161 6.301535 C 6.0 -3.319469 -12.96498 5.311708 C 6.0 -4.139452 -13.28302 4.216054 C 6.0 -3.618165 -13.87669 3.058408 C 6.0 -4.356269 -13.87652 1.863824 C 6.0 -8.747666 0.4948792 4.09844 C 6.0 -7.933671 1.614976 4.099208 C 6.0 -7.206113 1.614237 5.277207 C 6.0 -7.570093 0.4936052 6.004425 C 6.0 -8.522983 -0.1981866 5.275941 C 6.0 -9.062451 -0.1646343 2.924395 C 6.0 -8.716102 0.4599728 1.721897 C 6.0 -7.889112 1.598754 1.722756 C 6.0 -7.40303 2.119936 2.926271 C 6.0 -6.199639 2.827123 3.015272 C 6.0 -5.460209 2.826456 4.212747 C 6.0 -5.919496 2.118684 5.328511 C 6.0 -5.061518 1.596701 6.302054 C 6.0 -5.431413 0.4576865 7.04128 C 6.0 -6.661847 -0.1665605 6.811682 C 6.0 -6.875273 -1.529744 7.040012 C 6.0 -7.843333 -2.23305 6.299106 C 6.0 -8.604387 -1.57781 5.325491 C 6.0 -9.13337 -2.232434 4.208397 C 6.0 -9.361977 -1.528077 3.01166 C 6.0 -9.61024 -2.214597 1.822109 C 6.0 -9.496228 -1.532707 0.5992762 C 6.0 -8.967031 -0.2328251 0.5366182 C 6.0 -8.511209 0.3142428 -0.6705573 C 6.0 -7.686165 1.450102 -0.6696382 C 6.0 -7.307467 2.052331 0.5380346 C 6.0 -6.235751 2.958239 0.6028337 C 6.0 -5.623464 3.277271 1.826445 C 6.0 -4.35539 3.872355 1.877324 C 6.0 -3.617477 3.871551 3.071874 C 6.0 -4.139186 3.27617 4.228862 C 6.0 -3.319706 2.956184 5.324259 C 6.0 -3.741854 2.050371 6.311976 C 6.0 -2.831487 1.447362 7.191136 C 6.0 -3.200261 0.3110683 7.928768 C 6.0 -4.48405 -0.2356402 7.795857 C 6.0 -4.778287 -1.535417 8.240195 C 6.0 -5.923418 -2.216588 7.794725 C 6.0 -6.046502 -3.60656 7.926463 C 6.0 -7.012091 -4.308258 7.187102 C 6.0 -7.865686 -3.628405 6.307605 C 6.0 -8.594553 -4.309169 5.318223 C 6.0 -9.15121 -3.627745 4.223183 C 6.0 -9.554461 -4.307033 3.065216 C 6.0 -9.782632 -3.604748 1.871132 C 6.0 -4.06787 3.900666 -5.261263 C 6.0 -2.890921 3.901791 -5.990575 C 6.0 -1.938897 4.594778 -5.262369 C 6.0 -2.527469 5.021874 -4.083945 C 6.0 -3.843781 4.592852 -4.083107 C 6.0 -4.942444 2.830747 -5.311453 C 6.0 -4.710631 1.853651 -6.285056 C 6.0 -3.515537 1.856216 -7.027997 C 6.0 -2.543454 2.835598 -6.800063 C 6.0 -1.181341 2.618722 -7.031795 C 6.0 -0.2136147 3.321736 -6.290087 C 6.0 -0.6017303 4.24622 -5.314494 C 6.0 0.184957 4.546914 -4.197752 C 6.0 -0.4132213 4.981047 -2.999746 C 6.0 -1.802346 5.117447 -2.910325 C 6.0 -2.502021 4.980914 -1.706663 C 6.0 -3.840468 4.545607 -1.705906 C 6.0 -4.486372 4.243868 -2.909308 C 6.0 -5.528974 3.315903 -2.99768 C 6.0 -5.755645 2.611547 -4.194809 C 6.0 -6.589136 1.49249 -4.210273 C 6.0 -6.53734 0.6137282 -5.304926 C 6.0 -5.547354 0.7368667 -6.293738 C 6.0 -5.25692 -0.3136533 -7.174823 C 6.0 -4.064399 -0.3111987 -7.915673 C 6.0 -3.148875 0.741951 -7.784197 C 6.0 -1.82305 0.6228286 -8.233356 C 6.0 -0.8219194 1.502778 -7.789294 C 6.0 0.5381363 1.191741 -7.924948 C 6.0 1.503551 1.892741 -7.184408 C 6.0 1.12044 2.912129 -6.301368 C 6.0 1.993149 3.394557 -5.311674 C 6.0 1.51772 4.133351 -4.214966 C 6.0 2.288311 4.307491 -3.057131 C 6.0 1.691938 4.74055 -1.861832 C 6.0 0.3164699 5.005084 -1.810237 C 6.0 -0.3659995 5.106637 -0.5862202 C 6.0 -1.765579 5.004675 -0.521319 C 6.0 -2.425442 4.739557 0.6867173 C 6.0 -3.760663 4.305495 0.6869149 C 6.0 -4.450583 4.131607 -0.5207974 C 6.0 -5.642399 3.390523 -0.5852086 C 6.0 -6.13423 2.90602 -1.808805 C 6.0 -7.090547 1.882897 -1.859722 C 6.0 -7.316852 1.180317 -3.053892 C 6.0 1.940376 4.589242 5.278213 C 6.0 2.52903 5.018712 4.10061 C 6.0 3.84572 4.59039 4.099877 C 6.0 4.070383 3.896874 5.277152 C 6.0 2.892918 3.896011 6.005648 C 6.0 0.6032434 4.240307 5.329115 C 6.0 -0.1830762 4.543173 4.212645 C 6.0 0.4153707 4.979458 3.01548 C 6.0 1.804533 5.116225 2.926562 C 6.0 2.504372 4.981403 1.722764 C 6.0 3.842781 4.546112 1.722046 C 6.0 4.488416 4.243196 2.92547 C 6.0 5.531461 3.315507 3.012907 C 6.0 5.75981 2.610806 4.209615 C 6.0 4.947072 2.828595 5.326948 C 6.0 4.716783 1.850793 6.300322 C 6.0 3.520152 1.850133 7.041066 C 6.0 2.546367 2.827758 6.81264 C 6.0 1.184215 2.60891 7.042115 C 6.0 0.2157685 3.31312 6.302364 C 6.0 -1.118355 2.903396 6.312268 C 6.0 -1.991629 3.388244 5.324169 C 6.0 -1.51583 4.12933 4.229223 C 6.0 -2.286695 4.304391 3.071627 C 6.0 -1.689833 4.739115 1.877253 C 6.0 -0.314436 5.004511 1.825943 C 6.0 0.3680545 5.106897 0.6019949 C 6.0 1.767818 5.005602 0.5372964 C 6.0 2.427316 4.740888 -0.6711041 C 6.0 3.762569 4.307395 -0.67178393 C 6.0 4.452322 4.133389 0.5361466 C 6.0 5.644135 3.392496 0.5997675 C 6.0 6.136099 2.907105 1.823134 C 6.0 7.092327 1.88362 1.872874 C 6.0 7.32005 1.180937 3.066889 C 6.0 6.594644 1.49268 4.224938 C 6.0 6.545343 0.6138486 5.319951 C 6.0 5.555156 0.7351432 6.309221 C 6.0 5.264367 -0.3175525 7.1881533 C 6.0 4.070515 -0.3180546 7.92701 C 6.0 3.154135 0.73432 7.795318 C 6.0 1.827505 0.6120437 8.240731 C 6.0 0.8255601 1.490787 7.796422 C 6.0 -0.5343171 1.177839 7.92907 C 6.0 -1.500705 1.880221 7.191133 C 6.0 4.071497 -13.90614 5.265345 C 6.0 3.84604 -14.59757 4.087047 C 6.0 2.529251 -15.02564 4.087341 C 6.0 1.941096 -14.59867 5.265957 C 6.0 2.894154 -13.90677 5.99403 C 6.0 4.948298 -12.83789 5.316342 C 6.0 5.761745 -12.61867 4.199811 C 6.0 5.532979 -13.32109 3.001733 C 6.0 4.489045 -14.24793 2.913589 C 6.0 3.842217 -14.54797 1.710264 C 6.0 2.503642 -14.9831 1.71074 C 6.0 1.803781 -15.12121 2.913855 C 6.0 0.4144607 -14.98507 3.002618 C 6.0 -0.183322 -14.55066 4.200532 C 6.0 0.6038567 -14.2501 5.317103 C 6.0 0.216656 -13.32444 6.291641 C 6.0 1.185413 -12.6216 7.032507 C 6.0 2.547833 -12.8396 6.802538 C 6.0 3.521376 -11.86174 7.031742 C 6.0 4.717915 -11.86083 6.290441 C 6.0 5.55611 -10.74496 6.300227 C 6.0 6.546773 -10.62253 5.311517 C 6.0 6.597044 -11.50069 4.215868 C 6.0 7.323144 -11.18687 3.058464 C 6.0 7.095133 -11.8872 1.86318 C 6.0 6.138178 -12.91005 1.812932 C 6.0 5.645283 -13.39275 0.589133 C 6.0 4.452419 -14.13229 0.5257696 C 6.0 3.761093 -14.3029 -0.681465 C 6.0 2.425546 -14.73566 -0.6810772 C 6.0 1.766027 -15.00442 0.5261357 C 6.0 0.366311 -15.10714 0.5898034 C 6.0 -0.3161899 -15.00798 1.813581 C 6.0 -1.691605 -14.74336 1.863892 C 6.0 -2.287599 -14.30981 3.058861 C 6.0 -1.515977 -14.1366 4.21627 C 6.0 -1.991196 -13.3968 5.312042 C 6.0 -1.117447 -12.91458 6.301137 C 6.0 -1.500097 -11.89326 7.181897 C 6.0 -0.5335743 -11.19257 7.921586 C 6.0 0.8265731 -11.50462 7.788614 C 6.0 1.828695 -10.62625 8.234047 C 6.0 3.15543 -10.74727 7.787976 C 6.0 4.071961 -9.695141 7.920717 C 6.0 5.265287 -9.693988 7.1808 C 6.0 7.935044 1.627022 -4.08961 C 6.0 7.208433 1.628233 -5.268387 C 6.0 7.572526 0.5097106 -5.998768 C 6.0 8.523467 -0.1837949 -5.269491 C 6.0 8.748345 0.5065723 -4.090427 C 6.0 7.404603 2.128847 -2.915085 C 6.0 6.200543 2.834671 -3.003129 C 6.0 5.461937 2.835145 -4.20133 C 6.0 5.921257 2.130861 -5.319417 C 6.0 5.065033 1.610934 -6.296173 C 6.0 5.436251 0.4762682 -7.042 C 6.0 6.666952 -0.1475535 -6.811799 C 6.0 6.879389 -1.510603 -7.043226 C 6.0 7.844096 -2.215708 -6.299077 C 6.0 8.603175 -1.56321 -5.321977 C 6.0 9.130841 -2.219181 -4.204777 C 6.0 9.360449 -1.517921 -3.006338 C 6.0 9.062526 -0.154403 -2.916912 C 6.0 8.716846 0.4673072 -1.712614 C 6.0 7.890388 1.606125 -1.711944 C 6.0 7.309198 2.056829 -0.5257574 C 6.0 6.237066 2.962196 -0.5892536 C 6.0 5.624764 3.281717 -1.81285 C 6.0 4.356468 3.875823 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