#! SCF cc-pVDZ geometry optimzation, with Z-matrix input

memory 250 mb

# These values are from a tightly converged QChem run

molecule h2o {
     O
     H 1 1.0
     H 1 1.0 2 104.5
# QChem optimized geometry
# O           0.000000    0.000000    0.100027
# H          -0.748790    0.000000   -0.478565
# H           0.748790    0.000000   -0.478565
}

set globals {
  diis false
  basis cc-pvdz
  e_convergence 10
  d_convergence 10
}

thisenergy = optimize('scf')

