#! RASCI/6-31G** H2O Energy Point


molecule h2o {
    O
    H 1 1.00
    H 1 1.00 2 103.1
}

set {
  wfn detci
  basis 6-31G**
  restricted_docc  [1, 0, 0, 0]
  ras1             [2, 0, 1, 1]
  ras3             [1, 0, 0, 1]
  restricted_uocc  [8, 2, 3, 5]
}

thisenergy = energy('detci')

