$CONTRL EXETYP=RUN COORD=UNIQUE UNITS=ANGS RUNTYP=ENERGY SCFTYP=RHF CITYP=NONE CCTYP=CR-CCL MAXIT=100 ISPHER=1 MULT=1 ICHARG=0 MPLEVL=0 MAXIT=200 $END $SYSTEM MEMORY=400000000 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 title C1 0 C 6.0 0.00000000 0.00000000 -1.40999871 C 6.0 0.00000000 1.19326807 -0.69888375 C 6.0 0.00000000 -1.19326807 -0.69888375 C 6.0 0.00000000 1.13984027 0.69147391 C 6.0 0.00000000 -1.13984027 0.69147391 N 7.0 0.00000000 0.00000000 1.39056622 H 1.0 0.00000000 0.00000000 -2.49052765 H 1.0 0.00000000 2.14723447 -1.20454196 H 1.0 0.00000000 -2.14723447 -1.20454196 H 1.0 0.00000000 2.05352021 1.27183287 H 1.0 0.00000000 -2.05352021 1.27183287 $END