psi: (
  label = "STO-3G SCF H2O opt using extrema/zmatrix"
  wfn = scf
  jobtype = opt
  reference = rhf
  geomupdate = "extrema"
  dertype = first

  basis = STO-3G
  zmat = (
    O
    H 1 r1$
    H 1 r1$ 2 a1$
  )
  zvars = (
    r1  1.00
    a1  105.0
  )
)

