% 6-31G** H2O+ Test CISD Energy Point

psi: (
  label = "6-31G** CISD H2O"
  jobtype = sp
  wfn = detci
  reference = rohf
  basis = "6-31G**"

  charge = 1
  multp = 2
  docc = (3 0 0 1)
  socc = (0 0 1 0)
  frozen_docc = (1 0 0 0)

  zmat = (
    o
    h 1 1.00
    h 1 1.00 2 103.1
  )
)

