! EXAM 10.
!   This run duplicates the first column of table 6 in
!   Y.Yamaguchi, M.Frisch, J.Gaw, H.F.Schaefer, and
!   J.S.Binkley   J.Chem. Phys. 1986, 84, 2262-2278.
!
!   FINAL energy at the VIB 0 geometry is -74.9659012171.
!
!   If run with METHOD=ANALYTIC,
!   the FREQuencies are 2170.04, 4140.00, and 4391.07
!   the INTENSities are 0.17128, 1.04807, and 0.70926
!   the mean POLARIZABILITY is 0.40079
!
!   If run with METHOD=SEMINUM and NVIB=2,
!   the FREQuencies are 2170.14, 4140.18, and 4391.12
!   the INTENSities are 0.17169, 1.04703, and 0.70909
!
!   If run with METHOD=FULLNUM,
!   the FREQuencies are 2169.66, 4140.11, and 4391.16
!   the INTENSities are not evaluated.
!
 $CONTRL SCFTYP=RHF RUNTYP=HESSIAN UNITS=BOHR NZVAR=3 $END
 $SYSTEM TIMLIM=1 $END
 $FORCE  METHOD=ANALYTIC $END
 $CPHF   POLAR=.TRUE. $END
 $BASIS  GBASIS=STO NGAUSS=3 $END
 $DATA
Water at the RHF/STO-3G equilibrium geometry
CNV      2

OXYGEN       8.   0.0   0.0            0.0702816679
HYDROGEN     1.   0.0   1.4325665478  -1.1312080153
 $END
 $ZMAT   IZMAT(1)=1,1,2,   1,1,3,   2,2,1,3  $END
 $GUESS  GUESS=HUCKEL   $END

Link to the log file of this example.
exam10 Log File


created on 6/20/2013