! EXAM 17.
!  Analytic hessian for an open shell SCF function.
!  Methylene's 1-B-1 excited state.
!  FINAL energy=  -38.3334724789 after 8 iterations.
!  The FREQuencies are 1224.19, 3563.44, 3896.23
!  The INTENSities are 0.13317, 0.21652, 0.14589
!  The mean POLARIZABILITY is 0.53018
!
 $CONTRL SCFTYP=GVB  MULT=1  RUNTYP=HESSIAN  UNITS=BOHR $END
 $SYSTEM TIMLIM=1 $END
 $CPHF   POLAR=.TRUE. $END
 $BASIS  GBASIS=STO NGAUSS=3 $END
 $SCF    NCO=3  NSETO=2  NO(1)=1,1  NPAIR=0 $END
 $ZMAT   IZMAT(1)=1,1,2,   1,1,3,   2,2,1,3   $END
 $GUESS  GUESS=HUCKEL  $END
 $DATA
METHYLENE...1-B-1 STATE...ROHF...STO-3G BASIS
CNV      2

CARBON      6.0    0.0   0.0            0.0041647278
HYDROGEN    1.0    0.0   1.8913952563   0.7563907037
 $END

Link to the log file of this example.
exam17 Log File


created on 6/20/2013