#! TCSCF cc-pVDZ  energy of asymmetrically displaced ozone, with Z-matrix input.

memory 250 mb


molecule ozone {
   O
   O 1 1.29470102
   O 1 1.27450102 2 116.18610031
}

set basis cc-pVDZ

set mcscf {
    reference   twocon
    e_convergence  11
    ci_diis     on
    d_convergence  11
    diis_max_vecs 4
    docc        [10, 1]
    socc        [ 0, 2]
    maxiter     120
}

thisenergy = energy('mcscf')

