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$CONTRL COORD=UNIQUE UNITS=ANGS NPRINT=3
RUNTYP=ENERGY SCFTYP=UHF DFTTYP=B3LYP
MULT=2 ICHARG=1 AIMPAC=.t. $END
$BASIS GBASIS=STO NGAUSS=3 $END
$GUESS GUESS=HUCKEL $END
$DATA
divinylbenzene
cn 1
C 6.0 -1.4152533224 0.2302217854 0.0000000000
C 6.0 1.4152533224 -0.2302217854 0.0000000000
C 6.0 -0.4951331558 1.3144608674 0.0000000000
C 6.0 0.4951331558 -1.3144608674 0.0000000000
C 6.0 0.8894090436 1.0909493743 0.0000000000
C 6.0 -0.8894090436 -1.0909493743 0.0000000000
H 1.0 -0.8795511985 2.3437343748 0.0000000000
H 1.0 0.8795511985 -2.3437343748 0.0000000000
H 1.0 1.5779041557 1.9450061275 0.0000000000
H 1.0 -1.5779041557 -1.9450061275 0.0000000000
C 6.0 2.8845844962 -0.5210893778 0.0000000000
C 6.0 -2.8845844962 0.5210893778 0.0000000000
H 1.0 3.1403356810 -1.5919605685 0.0000000000
H 1.0 -3.1403356810 1.5919605685 0.0000000000
C 6.0 3.8800428103 0.3822535424 0.0000000000
C 6.0 -3.8800428103 -0.3822535424 0.0000000000
H 1.0 3.6946765858 1.4624389570 0.0000000000
H 1.0 -3.6946765858 -1.4624389570 0.0000000000
H 1.0 4.9316453546 0.0711049543 0.0000000000
H 1.0 -4.9316453546 -0.0711049543 0.0000000000
$END
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