%  @SCF@     E(SCF) =      -76.023615019286

psi: (
  label     = "6-31G** RHF H2O Single Point"
  jobtype   = sp
  wfn       = mcscf
  reference = rhf
  basis     = "6-31G**"
  zmat = (
    O
    H  1  0.94306
    H  1  0.94306 2  105.96877
  )
  docc = (3 0 1 1)
  convergence = 12
)

