psi: (
  label = "DZP RHF optimization of CO2"
  wfn = scf
  reference = rhf
  jobtype = opt
  dertype = first
  basis = "DZP"
  zmat = (
    C
    O 1 CO
    O 1 CO 2 CO2
  )
  zvars = (
    CO 1.1
    CO2 160.0
  )
)
