!
!   GAMESS Calculation input file
!   1,3-butadiene in s-cis conformation with DFT Functional
!
 $CONTRL SCFTYP=RHF MAXIT=50 RUNTYP=OPTIMIZE
         COORD=UNIQUE MULT=1
         DFTTYP=PBE0
         ICHARG=0
         MOLPLT=.FALSE. PLTORB=.FALSE.  $END
 $SYSTEM TIMLIM=480 MWORDS=6  $END

 $STATPT OPTTOL=0.00005 NSTEP=30 HSSEND=.TRUE. $END

 $DFT    METHOD=GRID  NLEB=590  $END

 $BASIS  GBASIS=N311 NGAUSS=6
         NDFUNC=1   NPFUNC=1  $END

 $SCF    DIRSCF=.T. $END
 $GUESS  GUESS=HUCKEL  $END

 $DATA
   1,3-butadiene in s-cis conformation with DFT Functional
  C1
 C     6     0.406    -0.421     0.749
 H     1     1.178    -0.471     1.500
 C     6     0.755     0.318    -0.482
 H     1     1.773     0.209    -0.820
 C     6    -0.066     1.097    -1.164
 H     1     0.252     1.595    -2.062
 H     1    -1.077     1.275    -0.843
 C     6    -0.747    -1.025     0.976
 H     1    -1.533    -1.043     0.242
 H     1    -0.940    -1.534     1.904
 $END
