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#! MP2/cc-PVDZ computation of formic acid dimer binding energy
#! using automatic counterpoise correction. Monomers are specified using Cartesian coordinates.
molecule formic_dim {
0 1
C -1.888896 -0.179692 0.000000
O -1.493280 1.073689 0.000000
O -1.170435 -1.166590 0.000000
H -2.979488 -0.258829 0.000000
H -0.498833 1.107195 0.000000
--
0 1
C 1.888896 0.179692 0.000000
O 1.493280 -1.073689 0.000000
O 1.170435 1.166590 0.000000
H 2.979488 0.258829 0.000000
H 0.498833 -1.107195 0.000000
symmetry c1
}
set globals {
basis cc-pvdz
d_convergence 11
}
e_cp = energy('c4-mp2', bsse_type='cp')