$CONTRL EXETYP=RUN COORD=UNIQUE UNITS=ANGS RUNTYP=ENERGY SCFTYP=RHF CITYP=NONE CCTYP=CR-CC(Q) MAXIT=100 ISPHER=1 MULT=1 ICHARG=0 MPLEVL=0 MAXIT=200 $END $SYSTEM MEMORY=40000000 PARALL=.FALSE. $END $GUESS GUESS=HUCKEL $END $SCF SOSCF=.T. DIIS=.F. NOCONV=.F. SHIFT=.T. DAMP=.T. RSTRCT=.F. $END $BASIS GBASIS=CCD $END $DATA benzene C1 0 C 6.0 0.00000000 1.39250319 0.00000000 C 6.0 -1.20594314 0.69625160 0.00000000 C 6.0 -1.20594314 -0.69625160 0.00000000 C 6.0 0.00000000 -1.39250319 0.00000000 C 6.0 1.20594314 -0.69625160 0.00000000 C 6.0 1.20594314 0.69625160 0.00000000 H 1.0 -2.14171677 1.23652075 0.00000000 H 1.0 -2.14171677 -1.23652075 0.00000000 H 1.0 0.00000000 -2.47304151 0.00000000 H 1.0 2.14171677 -1.23652075 0.00000000 H 1.0 2.14171677 1.23652075 0.00000000 H 1.0 0.00000000 2.47304151 0.00000000 $END