psi: (
  label = "6-31G** SCF H2O Optimization"
  jobtype = opt
  wfn = scf
  reference = rhf
  dertype = first
  basis = "6-31G**"
  convergence = 13
  conv = 10
  zmat = (
    o
    h 1 1.00
    h 1 1.00 2 103.1
  )
)

