#! Single point gradient of 1-2B1 state of H2O+ with EOM-CCSD

memory 250 mb

molecule h2o {
  1 2
  H -0.107055195862289   0.000000000000000  -1.832806614599657
  O -0.107055195862289   0.000000000000000   0.094714436481352
  H  1.806098405595803   0.000000000000000   0.329620161376194
  units bohr
}

set {
  reference uhf
  basis DZ
  roots_per_irrep [0, 0, 1, 0]
}

gradient('eom-ccsd')
analytic_grad = psi4.get_gradient()

gradient('eom-ccsd', dertype=0)
findif_grad = psi4.get_gradient()


set findif points 5

gradient('eom-ccsd', dertype=0)
findif_grad = psi4.get_gradient()

