psi: (
%  check = false
  opt = false
)

default: (
  label = "test"
  memory = (50.0 MB)
  wfn = scf 
  reference = rohf
  multp = 2 
  docc = (0 0 0 0 0 0 0 0)
  socc = (1 0 0 0 0 0 0 0)

files: (
    default: ( name = "test"
      )
    )
)

input: (
  basis = "STO-3G" 
  units = angstrom
   zmat = (
    (h)
   )
 )


scf:  (
  maxiter = 1000
  convergence = 10 
)

