psi: (
  label = "DZ SCF Optimization of 2-Butyne"
  memory = (20.0 MB)
  wfn = scf
  reference = rhf
  jobtype = opt
  dertype = first
  docc = (9 0 2 3)
  basis = "DZ"
  convergence = 13
  conv = 10
  geometry = (
    H -0.5  0.0  1.0
    H -0.5  0.0 -1.0
    C  0.0  0.0  0.0
    C  1.5  0.0  0.0
    C  2.5  0.0  0.0
    C  4.0  0.0  0.0
    H  4.5  1.0  0.0
    H  4.5 -1.0  0.0
  )
)
