#! Tests RHF/ROHF/UHF SCF gradients

molecule h2o {
0 1
O
H 1 R
H 1 R 2 A

R = 1.0
A = 104.5
}

set {
   reference rhf
   basis cc-pvdz
   e_convergence 8
   d_convergence 8
}

gradient('scf')
analytic = get_gradient()

set findif points 3
gradient('scf', dertype=0)
findif = get_gradient()


set findif points 5
gradient('scf', dertype=0)
findif = get_gradient()


molecule h2o {
0 3
O
H 1 R
H 1 R 2 A

R = 1.0
A = 104.5
}

set {
   reference rohf
   basis cc-pvdz
}

gradient('scf')
analytic = get_gradient()

set findif points 3
gradient('scf', dertype=0)
findif = get_gradient()


set findif points 5
gradient('scf', dertype=0)
findif = get_gradient()


molecule h2o {
0 3
O
H 1 R
H 1 R 2 A

R = 1.0
A = 104.5
}

set {
   reference uhf
   basis cc-pvdz
}

gradient('scf')
analytic = get_gradient()

set findif points 3
gradient('scf', dertype=0)
findif = get_gradient()


set findif points 5
gradient('scf', dertype=0)
findif = get_gradient()


