input.dat

#! Single point energies of multiple excited states with EOM-CCSD

eomccsd_ref.sort()

molecule h2o {
  O
  H 1 0.9
  H 1 0.9 2 104.0
}

set {
  basis cc-pVDZ
  roots_per_irrep [2, 2, 2, 2]
}

energy('eom-ccsd')