psi: (
  label = "BH aug-cc-pVTZ MP2-R12/A"
  jobtype = sp
  wfn = mp2r12
  reference = rhf
  docc = (3 0 0 0)
  freeze_core = true
  basis = "aug-cc-pVTZ"
  geometry = (
    b      0.0000        0.0000        0.0000
    h      0.0000        0.0000        1.0000
  )
)

