File: water_ccd.inp

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cclib-data 1.6.2-2
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 $contrl scftyp=rhf cctyp=ccd runtyp=energy exetyp=run
         units=angs
         AIMPAC=.t. $end
 $basis  gbasis=n31 ngauss=6 ndfunc=1 npfunc=1 $end
 $data
water
C1
 O   8    0.000000    0.000000    0.000000
 H   1    0.990000    0.000000    0.000000
 H   1   -0.272881    0.951649    0.000000
 $end