%
% Test for OEPROP
%
% 6-31G** H2O RHF one-electron property computations
%

psi: (
  label = "6-31G** SCF H2O"
  jobtype = oeprop
  wfn = scf
  reference = rhf
  basis = "6-31G**"
  zmat = (
    o
    h 1 1.00
    h 1 1.00 2 103.1
  )
)

oeprop: (
  mpmax = 3
  grid = 5
%  grid_format = megapovplus
  grid_format = gausscube
  mo_to_plot = (-1)
  grid_origin = (-4.0 -4.0 -4.0)
  grid_unit_x = ( 1.0  0.0  0.0)
  grid_unit_y = ( 0.0  1.0  0.0)
  grid_xyz0 =   ( 0.0  0.0  0.0)
  grid_xyz1 =   ( 8.0  8.0  8.0)
  nix = 40
  niy = 40
  niz = 40
)

