#! 6-31G** H2O CCSD optimization by energies, with Z-Matrix input

molecule h2o {
    o
    h 1 0.97
    h 1 0.97 2 103.0
}

set {
  basis 6-31G**

  r_convergence 10
  e_convergence 10
  d_convergence 10
}

optimize('ccsd', dertype=0)


