#! Density fitted MP2 cc-PVDZ/cc-pVDZ-RI computation of formic acid dimer binding energy
#! using automatic counterpoise correction.  Monomers are specified using Cartesian coordinates.

memory 250 mb


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
   units angstrom 
   no_reorient
}

set globals {
   basis cc-pvdz
   df_basis_scf cc-pvdz-jkfit
   df_basis_mp2 cc-pvdz-ri
   # not necessary to specify df_basis* for most basis sets
   scf_type df
   guess sad
   d_convergence 11
}

e_cp = cp('df-mp2')

