#! Finite difference of energies frequency, run in sow/reap mode.

print 'This file will not work outside a cmake test environment.'

molecule h2o {
  symmetry c1
  O
  H 1 0.9894093
  H 1 0.9894093 2 100.02688
}

set {
  basis sto-3g
  d_convergence 11
  scf_type pk
  points 3
}

frequencies('scf', dertype='energy', mode='sow')



#print_variables()

