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$ADFBIN/adf << eor > dvb_sp_c.adfout
title 1,4-divinyl-benzene, SZ, BLYP, nosym
Basis
TYPE SZ
CORE None
End
symmetry NOSYM
charge 0 0
atoms
C -1.275568 0.692949 0.000000
C -1.211011 -0.742036 0.000000
C 0.032360 -1.415271 0.000000
C 1.275568 -0.692949 0.000000
C 1.211011 0.742036 0.000000
H -2.143529 -1.330976 0.000000
H 0.053320 -2.519080 0.000000
H 2.143529 1.330976 0.000000
C 2.571440 -1.457016 0.000000
C 3.824633 -0.930233 0.000000
H 4.012223 0.154429 0.000000
H 2.455501 -2.556634 0.000000
H 4.714807 -1.577980 0.000000
C -2.571440 1.457016 0.000000
H -2.455501 2.556634 0.000000
C -3.824633 0.930233 0.000000
H -4.012223 -0.154429 0.000000
H -4.714807 1.577980 0.000000
C -0.032360 1.415271 0.000000
H -0.053320 2.519080 0.000000
end
XC
GGA Blyp
end
end input
eor
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