# 6-31G** H2O Test RASSCF Energy Point
# will default to only singles and doubles in the active space

set {
  MCSCF_MAXITER = 80
  # the next 2 lines should be the Psi3 defaults
  MCSCF_DIIS_MAX_VECS = 8
  MCSCF_DIIS_FREQ = 1
  reference = rhf
  restricted_docc = [1, 0, 0, 0]
  ras1            = [2, 0, 1, 1]
  ras3            = [1, 0, 0, 1]
  restricted_uocc = [8, 2, 3, 5]

  basis = 6-31G**
}



molecule mol {
   O
   H  1 1.00
   H  1 1.00 2 103.1
}


rasscf_energy = energy('RASSCF')


compare_values(-76.073064779671, rasscf_energy, 6, 'RASSCF Energy')
