% emacs should use -*- KeyVal -*- mode
molecule<Molecule>: (
  symmetry = C1
  unit = angstrom
  { atoms geometry } = {
    O     [     0.00000000     0.00000000     0.37000000 ]
    H     [     0.78000000     0.00000000    -0.18000000 ]
    H     [    -0.78000000     0.00000000    -0.18000000 ]
  }
)
basis<GaussianBasisSet>: (
  name = "STO-3G"
  molecule = $:molecule
)
mpqc: (
  checkpoint = no
  savestate = no
  % MP2 is the new class.  Change MP2 to MBPT2 to test
  % against the standard MP2 code
  mole<MP2>: (
    molecule = $:molecule
    basis = $:basis
    reference<CLHF>: (
      molecule = $:molecule
      basis = $:basis
      memory = 16000000
    )
  )
)