#! RHF cc-pVQZ energy for the BH molecule, with Cartesian input.


molecule bh {
    b      0.0000        0.0000        0.0000
    h      0.0000        0.0000        1.0000
}

# Get a reasonable guess, to save some iterations
set = {
    scf_type   pk
    basis      cc-pVQZ
    df_scf_guess false
    e_convergence 6
}
energy('scf')

set = {
    scf_type   direct
    guess      read
    e_convergence 10
}

thisenergy = energy('scf')

