!   EXAM46.
!   singles/doubles excited state energies by coupled cluster EOM,
!   from an open shell ground state.
!   Molecule is NH2, with 43 AOs and 41 MOs in aug-cc-pVDZ basis.
!
!   The ground state of NH2 is 2-B-1 arising from a configuration
!   with an unpaired electron in a p orbital perpendicular to the
!   molecule.  We expect a valence state exciting from the in-plane
!   lone pair to this singly occupied orbital, of 2-A-1 symmetry.
!   In this basis, the next state beyond that lies above 6.5 eV.
!
!   reference 2-B-1: FINAL ENERGY= -55.5702884296, in 11 iterations
!   reference 2-B-1:  CCSD ENERGY= -55.7479225350, in 19 iterations
!     excited 1-A-1:   EOM-CCSD E= -55.6678983648, in  8 iterations
!   so the excitation energy is 2.178 eV.  As expected, the 1-A-1
!   state is dominated by the single excition R1(4-->5)= 0.974
!
 $contrl scftyp=rohf mult=2 cctyp=eom-ccsd runtyp=energy ispher=1 $end
 $system mwords=3 $end
 $basis  gbasis=accd $end
 $guess  guess=huckel $end
 $ccinp  ccprp=.false. $end
 $eominp nstate(1)=1,0,0,0 iroot(1)=1,1 ccprpe=.false.
         minit=1 noact=3 nuact=5 $end
 $data
NH2...aug-cc-pVDZ basis...excited state @ g.s. MP2 geometry
Cnv 2

NITROGEN    7.0   0.0   0.0           -0.0370366120
HYDROGEN    1.0   0.0  -0.8055298238  -0.6814816939
 $end