1 $CONTRL SCFTYP=RHF DFTTYP=B3LYP TDDFT=EXCITE 2 AIMPAC=.t. $END 3 $SYSTEM TIMLIM=3000 MWORDS=50 $END 4 $BASIS GBASIS=STO ngauss=3 $END 5 $TDDFT NSTATE=5 MULT=3 $END 6 $DATA 7divinylbenzene 8 cn 1 9 10 C 6.0 -1.4152533224 0.2302217854 0.0000000000 11 C 6.0 1.4152533224 -0.2302217854 0.0000000000 12 C 6.0 -0.4951331558 1.3144608674 0.0000000000 13 C 6.0 0.4951331558 -1.3144608674 0.0000000000 14 C 6.0 0.8894090436 1.0909493743 0.0000000000 15 C 6.0 -0.8894090436 -1.0909493743 0.0000000000 16 H 1.0 -0.8795511985 2.3437343748 0.0000000000 17 H 1.0 0.8795511985 -2.3437343748 0.0000000000 18 H 1.0 1.5779041557 1.9450061275 0.0000000000 19 H 1.0 -1.5779041557 -1.9450061275 0.0000000000 20 C 6.0 2.8845844962 -0.5210893778 0.0000000000 21 C 6.0 -2.8845844962 0.5210893778 0.0000000000 22 H 1.0 3.1403356810 -1.5919605685 0.0000000000 23 H 1.0 -3.1403356810 1.5919605685 0.0000000000 24 C 6.0 3.8800428103 0.3822535424 0.0000000000 25 C 6.0 -3.8800428103 -0.3822535424 0.0000000000 26 H 1.0 3.6946765858 1.4624389570 0.0000000000 27 H 1.0 -3.6946765858 -1.4624389570 0.0000000000 28 H 1.0 4.9316453546 0.0711049543 0.0000000000 29 H 1.0 -4.9316453546 -0.0711049543 0.0000000000 30 $END 31 32