#! SCF DZ allene geometry optimzation, with Cartesian input

memory 250 mb


molecule allene {
  H -2.0  0.0  1.0
  H -2.0  0.0 -1.0
  C -1.5  0.0  0.0
  C  0.0  0.0  0.0
  C  1.5  0.0  0.0
  H  2.0  1.0  0.0
  H  2.0 -1.0  0.0
}

set globals {
  basis DZ
  e_convergence 10
  d_convergence 10
  scf_type pk
}

thisenergy = optimize('scf')

