#! 6-31G H2O Test FCI Energy Point


molecule h2o {
   O       .0000000000         .0000000000        -.0742719254
   H       .0000000000       -1.4949589982       -1.0728640373
   H       .0000000000        1.4949589982       -1.0728640373
units bohr
}

set {
  basis 6-31G
  num_roots 3
}

thisenergy = energy('fci')
print(thisenergy)

