File: C_bigbasis.inp

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cclib-data 1.6.2-2
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 $CONTRL COORD=PRINAXIS UNITS=ANGS
         SCFTYP=RHF RUNTYP=ENERGY ISPHER=1 NPRINT=3 
         AIMPAC=.t.  $END
 $BASIS  GBASIS=ACCQC $END
 $GUESS  GUESS=HUCKEL $END
 $DATA
c atom
C1	
 C           6.0  0.0000000000   0.0000000000   0.0000000000
 $END