

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

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


casscf_energy = energy('casscf')

compare_values(-76.073865006902, casscf_energy, 6, 'CASSCF Energy')
