! EXAM05
!    CH2    CI calculation.
!    The wavefunction is RHF + CI-SD, within the minimal
!    basis, containing 55 configurations.  Two CI roots
!    are found, and the gradient of the higher state is
!    then computed.
!
!    Note that CI gradients have several restrictions,
!    which are further described in the $LAGRAN group.
!
!    FINAL energy of RHF = -38.3704885135 after 10 iters.
!    State 1 EIGENvalue = -38.4270674142, c(1)  = 0.970224
!    State 2 EIGENvalue = -38.3130036831, c(29) = 0.990865
!    The upper state's dipole moment is 0.708275 Debye
!    from the expectation value density, and 0.691104
!    from the relaxed density (it is well known that CI
!    does not satisfy the Hellmann-Feynmann theorem).
!    The upper state has RMS gradient 0.032264079
!
 $CONTRL SCFTYP=RHF CITYP=GUGA RUNTYP=GRADIENT $END
 $SYSTEM TIMLIM=1 $END
 $BASIS  GBASIS=STO NGAUSS=3 $END
 $GUESS  GUESS=HUCKEL $END
!    look at all state symmetries, by using C1 symmetry
 $CIDRT  GROUP=C1 IEXCIT=2 NFZC=1 NDOC=3 NVAL=3 $END
!    lowest singlet is 1-A-1, 1st excited singlet is 1-B-1
 $GUGDIA NSTATE=2 $END
!    compute properties of the 1-B-1 state
 $GUGDM  NFLGDM(1)=1,1 IROOT=2 $END
!    compute gradient of the 1-B-1 state
 $GUGDM2 WSTATE(1)=0.0,1.0 $END
 $DATA
Methylene...CI...STO-3G basis
Cnv   2

Carbon    6.0
Hydrogen  1.0      0.0       0.82884        0.7079
 $END