% aug-cc-pVDZ N2 CASSCF Energy Point with virtuals reordered

psi: (
  label = "aug-cc-pVDZ CASSCF N2"
  jobtype = sp
  wfn = detcas
  reference = rhf
  restricted_docc = (1 0 0 0 0 1 0 0)
  docc            = (3 0 0 0 0 2 1 1)
  active          = (2 0 1 1 0 2 1 1)
  basis = "aug-cc-pVDZ"
  zmat = (
    n
    n 1 0.8
  )
)

detcas: (
  convergence = 5
)

scf: (
  % reorder orbitals after SCF
  reorder = after
  % swapped 1B2g and 2B2g, 1B3g and 2B3g, 3B1u and 8B1u
  moorder = (0 1 2 3 4 5 6 7 8 9 10 11 12 14 13 15 16 17 19 18 20 21 22 23 24 25 26 32 28 29 30 31 27 33 34 35 36 37 38 39 40 41 42 43 44 45)
  % this wil print orbitals before and after reordering
  iprint = 4
)

