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$ADFBIN/adf << eor > dvb_gopt.adfout
title 1,4-divinyl-benzene, SZ, BLYP
Basis
TYPE SZ
CORE None
End
charge 0 0
atoms
C 0.000000 0.000000 0.000000
C 0.000000 0.000000 1.391558
C 1.199912 0.000000 2.091623
C 2.381427 0.000000 1.405722
C 2.381427 0.000000 0.014165
H -0.949187 0.000000 1.937349
H 1.193861 0.000000 3.187592
H 3.330614 0.000000 -0.531626
C 3.669632 0.000000 2.146185
C 4.871380 0.000000 1.546808
H 4.930305 0.000000 0.444834
H 3.585803 0.000000 3.241279
H 5.787099 0.000000 2.100305
C -1.288205 0.000000 -0.740463
H -1.204377 0.000000 -1.835557
C -2.489953 0.000000 -0.141086
H -2.548878 0.000000 0.960888
H -3.405672 0.000000 -0.694583
C 1.181515 0.000000 -0.685901
H 1.187566 0.000000 -1.781870
end
XC
GGA Blyp
end
geometry
end
end input
eor
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