psi: (
  label = "DZP SCF optimization of CO2"
  wfn = scf
  reference = rhf
  jobtype = opt
  dertype = first
  convergence = 13
  conv = 10
  basis = "DZP"
  zmat = (
    C
    O 1 CO$
    O 1 CO$ 2 CO2$
  )
  zvars = (
    CO 1.1
    CO2 178.0
  )
)
