$CONTRL RUNTYP=OPTIMIZE $END $SYSTEM MEMORY=1000000 TIMLIM=10000 $END $SCF DIRSCF=.TRUE. $END $BASIS GBASIS=STO NGAUSS=2 $END $STATPT OPTTOL=1d-4 nstep=1000 $END $GUESS GUESS=HUCKEL $END $DATA 70-ATOM MOLECULE: CARDS BELOW ARE NOT IN THE CORRECT FORMAT HERE; BUT WERE WHEN I RAN IT. C1 C 6 -1.837067801 1.913944201 1.226177829 H 1 -1.035464290 1.978498292 0.440218748 C 6 -2.185353105 3.330967122 1.664465186 H 1 -2.510255612 3.941441743 0.811585165 H 1 -1.308222383 3.828608718 2.111240702 H 1 -2.993121528 3.341737250 2.407519019 C 6 -3.063608910 1.249586714 0.596816827 H 1 -3.654079476 2.031126373 0.072251182 H 1 -3.746003130 0.846547889 1.380130976 C 6 -1.279217398 1.162025066 2.434183243 O 8 -2.005044086 0.579861361 3.218899710 C 6 0.235420475 1.179211094 2.696122048 H 1 0.442639891 0.424946012 3.507332185 C 6 -2.760283965 0.119914472 -0.421531021 C 6 1.048639369 0.722079903 1.452996003 H 1 0.364687515 0.190219499 0.739837019 C 6 -1.895663253 0.690449776 -1.607172727 H 1 -1.021812264 1.234035472 -1.143534616 C 6 -1.328243530 -0.405764404 -2.553977591 H 1 -1.416261911 -1.395525105 -2.019464370 C 6 0.201588708 -0.151419236 -2.719474047 H 1 0.507489898 0.603465619 -1.945265500 C 6 -2.048600433 -1.049435145 0.265304582 H 1 -1.923477537 -1.904288785 -0.419696999 H 1 -2.603287362 -1.402865055 1.144875286 H 1 -1.041473306 -0.755530398 0.604131059 O 8 -3.986285843 -0.323427955 -1.037203007 C 6 -4.944036521 -0.865955932 -0.166044524 H 1 -5.046263305 -0.288256206 0.765479560 H 1 -4.705293978 -1.907650223 0.077233806 H 1 -5.867712752 -0.819899806 -0.747604279 O 8 -2.541780961 1.740614180 -2.275017279 H 1 -3.323772008 1.390629054 -2.685369965 C 6 0.969096128 -1.486942760 -2.473972114 H 1 0.294026193 -2.112173641 -1.825777439 C 6 2.246989155 -1.174994771 -1.706884967 O 8 3.340529721 -0.879764859 -2.137051204 C 6 2.211765070 -0.272670620 1.829686946 C 6 3.019056651 -0.718157749 0.546286033 O 8 2.051620552 -1.275393512 -0.352126917 C 6 -2.077657383 -0.544013059 -3.862167906 H 1 -1.667823449 -1.367035803 -4.465650406 H 1 -2.036742476 0.365698138 -4.477635154 H 1 -3.137796403 -0.772334625 -3.684289027 C 6 1.273342052 -2.275672241 -3.732309723 H 1 0.356035154 -2.466974278 -4.307091779 H 1 1.716554936 -3.249799731 -3.487696067 H 1 1.981479622 -1.755104263 -4.392208735 O 8 0.575777226 0.512128028 -3.890472049 H 1 0.317949439 -0.025676621 -4.630859571 C 6 1.624217465 -1.490073795 2.554321662 H 1 1.152766268 -1.193437489 3.505665595 H 1 2.401186358 -2.238619268 2.777994355 H 1 0.856495464 -1.979830230 1.940751250 O 8 3.068812519 0.455131485 2.697339367 H 1 3.858042813 -0.065094804 2.810246265 H 1 3.488937357 0.190540709 0.091126132 C 6 4.105322780 -1.768903189 0.852589186 H 1 4.234251358 -2.437893197 -0.022172146 H 1 3.771382829 -2.432765684 1.682195950 C 6 5.440349513 -1.143295058 1.189822310 H 1 5.791594874 -0.473920232 0.393041613 H 1 6.209095418 -1.913396926 1.334107605 H 1 5.396598587 -0.552948848 2.119160523 O 8 1.506748532 1.783536732 0.656431157 H 1 2.128357884 2.285837626 1.170591859 C 6 0.627596831 2.541264590 3.241177004 H 1 1.710665672 2.615665395 3.406113166 H 1 0.139136509 2.726230896 4.207578350 H 1 0.325461053 3.360961298 2.566694879 $END