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srDFT_G2/Ref/Molecules/g09/H2O.inp

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g09 files
2019-03-25 22:47:41 +01:00
#p CCSD(T) cc-pVDZ pop=full gfprint
g09 input
2019-03-25 22:30:19 +01:00
G2
0,1
O
H,1,OH
H,1,OH,2,HOH
OH=0.96210248
HOH=103.71685008
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