$CONTRL SCFTYP=RHF RUNTYP=gradient nprint=-5 $END $SYSTEM TIMLIM=300000 MEMORY=100000000 $END $BASIS GBASIS=PM3 $END $GUESS GUESS=HUCKEL $END $scf soscf=.f. $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 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