1 $CONTRL SCFTYP=RHF CITYP=TDDFT 2 DFTTYP=B3LYP $END 3 $BASIS GBASIS=STO NGAUSS=3 $END 4 $GUESS GUESS=HUCKEL $END 5 $TDDFT NSTATE=5 MULT=3 $END 6 $DATA 7divinylbenzene 8cnh 2 9 10 C 6.0 -1.3939882447 0.2213755683 0.0000000000 11 C 6.0 -0.4919705715 1.2868407086 0.0000000000 12 C 6.0 0.8733456137 1.0731470812 0.0000000000 13 H 1.0 -0.8715846529 2.3007508400 0.0000000000 14 H 1.0 1.5389282156 1.9253173698 0.0000000000 15 C 6.0 2.8621079750 -0.5097799325 0.0000000000 16 H 1.0 3.1070578958 -1.5662206184 0.0000000000 17 C 6.0 3.8375160019 0.3700444858 0.0000000000 18 H 1.0 3.6688910549 1.4371664215 0.0000000000 19 H 1.0 4.8733853301 0.0604752833 0.0000000000 20 $END 21