%nproc=4 %mem=7000MB #p pbepbe/gen nosymm opt scrf=(SMD,solvent=toluene) freq Title Card Required 0 1 P 8.5628068603 8.2999015649 10.6473074830 C 7.8906910977 9.9341535290 10.1162553454 C 6.8568379498 10.1034897509 9.1803795784 H 6.4255111130 9.2325170810 8.6917781639 C 6.3821018988 11.3828771902 8.8692518606 H 5.5796345042 11.4968039300 8.1432456474 C 6.9405717167 12.5104851074 9.4775459677 H 6.5732450359 13.5046726147 9.2313942081 C 7.9724111539 12.3537499974 10.4107545004 H 8.4100607464 13.2258742835 10.8921687608 C 8.4341628034 11.0760072337 10.7363197558 H 9.2267241761 10.9595383079 11.4748629024 C 10.1663315058 8.2390333406 9.7377763957 C 11.1331373339 7.3310961953 10.2089290541 H 10.9133564671 6.7250687189 11.0869987723 C 12.3662726261 7.2022231039 9.5625784711 H 13.1013785557 6.4924592160 9.9360038905 C 12.6571565631 7.9902512193 8.4440598125 H 13.6192094644 7.8959429531 7.9444124230 C 11.7103496447 8.9081151142 7.9769979559 H 11.9332381966 9.5276816949 7.1106600810 C 10.4727554930 9.0309040295 8.6173694176 H 9.7374838217 9.7437312911 8.2485338858 C 7.5216418410 7.1307674458 9.6726071349 C 7.8906877376 6.5754540240 8.4363503773 H 8.8468271264 6.8417274369 7.9907264090 C 7.0382040224 5.6841810337 7.7759280775 H 7.3393659414 5.2595438675 6.8203584261 C 5.8038674863 5.3418941843 8.3358393170 H 5.1416136657 4.6500048814 7.8193960668 C 5.4265825402 5.8885175435 9.5673415775 H 4.4699888673 5.6228856205 10.0125415207 C 6.2841956163 6.7655221907 10.2355751927 H 5.9943365841 7.1754632249 11.2024662734 -H -B -C -N -O -Br -P 0 6-31+g** ****