% 6-31G** H2O Test RASSCF Energy Point
% will default to only singles and doubles in the active space

psi: (
  label = "6-31G** RASSCF H2O"
  jobtype = sp
  wfn = rasscf
  ncasiter = 40
  reference = rhf
  restricted_docc = (1 0 0 0)
  ras1            = (2 0 1 1)
  ras3            = (1 0 0 1)
  restricted_uocc = (8 2 3 5)

  basis = "6-31G**"
  zmat = (
    o
    h 1 1.00
    h 1 1.00 2 103.1
  )
)

