%  @SCF@     E(SCF) =      -75.369855025179

psi: (
  label     = "6-31G** ROHF H2O+ 2B2 Single Point"
  jobtype   = sp
  wfn       = mcscf
  reference = rohf
  basis     = "6-31G**"
  zmat = (
    O
    H  1  0.94306
    H  1  0.94306 2  105.96877
  )
  charge = 1
  multp  = 2
  docc = (3 0 1 0)
  socc = (0 0 0 1)
  convergence = 12
)

