$CONTRL SCFTYP=RHF MAXIT=200 RUNTYP=ENERGY
         COORD=ZMT MULT=1 ICHARG=0 DFTTYP=B3LYP
         MOLPLT=.FALSE. PLTORB=.FALSE. $END
 $SYSTEM TIMLIM=2879 MWORDS=250 $END
 $STATPT OPTTOL=0.0005 NSTEP=999 IHREP=0 $END
 $BASIS  GBASIS=N31 NGAUSS=6 NDFUNC=1 NPFUNC=0 NFFUNC=0 $END
 $SCF    DIRSCF=.T. $END
 $GUESS  GUESS=HUCKEL $END

 $DATA
1,2-Ethanediol Rigid Scan
C1
C
C       1       CC_DIST
O       1       CO_DIST     2       CCO_ANGLE
H       1       CH_DIST     2       CCH_ANGLE    3      120.0
H       1       CH_DIST     2       CCH_ANGLE    3     -120.0
O       2       CO_DIST     1       CCO_ANGLE    3      TORS3
H       2       CH_DIST     1       CCH_ANGLE    6      120.0
H       2       CH_DIST     1       CCH_ANGLE    6     -120.0
H       3       OH_DIST     1       COH_ANGLE    2      HOTORS1
H       6       OH_DIST     2       COH_ANGLE    1      HOTORS2

CC_DIST   = 1.52000
CO_DIST   = 1.43000
CH_DIST   = 1.09400
OH_DIST   = 0.96000
CCO_ANGLE = 109.5000
CCH_ANGLE = 109.5000
COH_ANGLE = 108.5000
TORS3     = ! changeme
HOTORS1   = 60.0    
HOTORS2   = -60.0 
 $END