1 $CONTRL SCFTYP=RHF RUNTYP=RAMAN NPRINT=3 $END 2 $BASIS GBASIS=STO NGAUSS=3 $END 3 $GUESS GUESS=HUCKEL $END 4 $DFT DFTTYP=B3LYP $END 5 $DATA 6divinylbenzene 7cnh 2 8 9 C 6.0 -1.3939882447 0.2213755683 0.0000000000 10 C 6.0 -0.4919705715 1.2868407086 0.0000000000 11 C 6.0 0.8733456137 1.0731470812 0.0000000000 12 H 1.0 -0.8715846529 2.3007508400 0.0000000000 13 H 1.0 1.5389282156 1.9253173698 0.0000000000 14 C 6.0 2.8621079750 -0.5097799325 0.0000000000 15 H 1.0 3.1070578958 -1.5662206184 0.0000000000 16 C 6.0 3.8375160019 0.3700444858 0.0000000000 17 H 1.0 3.6688910549 1.4371664215 0.0000000000 18 H 1.0 4.8733853301 0.0604752833 0.0000000000 19 $END 20 $GRAD 21E= -379.7779551022 GMAX= 0.0000864 GRMS= 0.0000319 22C 6. -1.7995615894E-05 1.9158670154E-05 0.0000000000E+00 23C 6. 1.7995615894E-05 -1.9158670154E-05 0.0000000000E+00 24C 6. 3.1884940495E-05 2.2902770195E-05 0.0000000000E+00 25C 6. -3.1884940495E-05 -2.2902770195E-05 0.0000000000E+00 26C 6. -9.2974613703E-06 8.8093494850E-06 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