! EXAM 16.
!  ROHF/GVB on Si 3-P state, using Gordon's 6-31G basis.
!
!  The purpose of this example is two-fold, namely to
!  show off the open shell capabilities of the GVB code,
!  and to emphasize that the 6-31G basis for Si in GAMESS
!  is Mark Gordon's version.  The basis stored in GAMESS is
!  completely optimized, whereas Pople's uses the core from
!  from a 6-21G set, reoptimizing only the -31G part.
!  The energy from Pople's basis would be only -288.828405.
!
!  Jacobi diagonalization is intrinsically slow, but in this
!  case results in pure subspecies in degenerate p irreps.
!  In fact, these may be labeled in the highest Abelian
!  subgroup of the atomic point group Kh.
!
!  The FINAL energy is -288.8285729745 after 7 iterations.
!
 $CONTRL SCFTYP=GVB MULT=3 $END
 $SYSTEM TIMLIM=1 KDIAG=3 $END
 $BASIS  GBASIS=N31 NGAUSS=6 $END
 $DATA
Si...3-P term...ROHF in full Kh symmetry
Dnh 2

Silicon     14.
 $END
 $GUESS  GUESS=HUCKEL $END
 $SCF    NCO=6  NSETO=1  NO=3   COUPLE=.TRUE.
         F(1)=1.0, 0.333333333333333
         ALPHA(1)=2.0,  0.66666666666667,  0.16666666666667
         BETA(1)=-1.0, -0.33333333333333, -0.16666666666667
 $END