#! File retention, docc, socc, and bond distances specified explicitly.


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

    b1 = 1.0
    a1 = 125.0
}

set {
    reference uhf
    basis     6-31G**
    docc      [2, 0, 0, 1]
    socc      [1, 0, 1, 0]
    scf_type  pk
}

thisenergy = energy('scf')

