#! DF-CCDL cc-pVDZ energy for the H2O molecule.


memory 256 mb

molecule h2o {
0 1
o
h 1 0.958
h 1 0.958 2 104.4776 
}

set {
  basis cc-pvdz
  df_basis_scf cc-pvdz-jkfit
  df_basis_cc cc-pvdz-ri
  scf_type df
  guess gwh
  freeze_core true
}
energy('df-ccdl')



