psi: (
  label = "DZ SCF Optimization of allene"
  memory = (50.0 MB)
  wfn = scf
  reference = rhf
  jobtype = opt
  dertype = first
  basis = "DZ"
  geometry = (
    H -2.0  0.0  1.0
    H -2.0  0.0 -1.0
    C -1.5  0.0  0.0
    C  0.0  0.0  0.0
    C  1.5  0.0  0.0
    H  2.0  1.0  0.0
    H  2.0 -1.0  0.0
  )
)
