

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

set {
    scf_type pk
    basis 6-31G**
    reference rhf
    frozen_docc     [1, 0, 0, 0]
    active          [3, 0, 1, 2] 
}

casscf_energy = energy('casscf')


compare_values(-76.073773094606, casscf_energy, 6, 'FZC CASSCF Energy')
