psi: (
  label = "Ar2 HF+D/aug-cc-pVDZ optimization"
  jobtype = opt 
  wfn = scf
  empirical_dispersion = true
  reference = rhf
  dertype = first
  multp = 1
  basis = "aug-cc-pVDZ"
  geometry = (
    (Ar        .000000         .000000        .000000)
    (Ar        .000000         .000000       3.600000)
  )
  bonds = (
    (1 2)
  )
)
