! EXAM32.
!  Test of Coupled-Cluster energy for HNO
!  The basis set used is 6-31G(d,p), with 35 AOs.
!  An advanced non-iterative triples energy is
!  computed, which should be better than CCSD(T).
!  The two chemical core orbitals are not correlated.
!
!  RHF FINAL E= -129.7891059395 after 13 iters
!  Highest level result is E(CR-CC(2,3))= -130.1517479953
!
!  Other results are
!  19 CCSD iterations needed to converge T1 and T2.
!  E(MBPT(2)) = -130.1278985212, aka MP2 energy
!  E(CCSD)    = -130.1398314377
!  The T1 diagnostic is 0.01448788, and the largest T2
!  amplitude is for the pi->pi* double, namely -0.146352.
!  It takes 15 iterations to converge the left eigen-
!  state (lambda equation).  A number of other
!  "completely renormalized" energies are computed, with
!  CR-CCL aka CR-CC(2,3),D being considered the best.
!  The CCSD level dipole is 1.658371 Debye
!
!  The "standard" E(CCSD(T)) is not computed by this run,
!  change to CCTYP=CCSD(T) to see that.
!
 $contrl scftyp=rhf cctyp=cr-ccl runtyp=energy nzvar=3 $end
 $system timlim=2 $end
 $guess  guess=huckel $end
 $basis  gbasis=n31 ngauss=6 ndfunc=1 npfunc=1 $end
 $zmat   izmat(1)=1,1,2,  1,2,3,  2,1,2,3  $end
 $data
HNO...CR-CC(2,3) computation in small DZP basis
Cs

H 1.0  -0.3153213523   0.9784305023   0.0
N 7.0   0.0188021294   0.0012704060   0.0
O 8.0   1.1940439356   0.0007180427   0.0
 $end