% H2O
%
psi: (
 check = false
exec = (
 "input"
 repeat 20
 "cints"
 "cscf"
 "cints --deriv1"
 "extrema"
 end
 "psiclean"
 )

  label = "STO-3G SCF NO2 opt using extrema/zmatrix"
  wfn = scf
  reference = rhf
  dertype = first
  charge = -1

  basis = STO-3G
  zmat = (
    X
    N 1 1.0
    O 2 r1$ 1 a1$
    O 2 r1$ 1 a1$ 3 180.0
  )
  zvars = (
    r1  1.33
    a1  75.0
  )
)

