
#! 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 uhf
    basis     6-31G**
    docc      [2, 0, 0, 1]
    socc      [1, 0, 1, 0]
    scf_type  pk
}

# Delete file 32 for now, because UHF has a bug in reading old MOs right now
psioh = psi4.IOManager.shared_object()
psioh.set_specific_retention(32, False)

thisenergy = energy('scf')

