#! ROHF 6-31G** energy of the $^{3}B@@1$  state of CH2, with Z-matrix input. The occupations
#! are specified explicitly.

memory 250 mb


molecule ch2 {
    0 3
    c
    h 1 b1
    h 1 b1 2 a1

    b1 = 1.0
    a1 = 125.0
}

set globals {
    reference rohf
    basis     6-31G**
    docc      [2, 0, 0, 1]
    socc      [1, 0, 1, 0]
}

thisenergy = energy('mcscf')

