File: water_mp2.inp

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cclib-data 1.6.2-2
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 $contrl scftyp=rhf mplevl=2 
         runtyp=energy exetyp=run 
         units=angs AIMPAC=.t. $end 
 $mp2    mp2prp=.t. $end 
 $basis  gbasis=sto ngauss=3 $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