srDFT_G2/Ref/Molecules/g09/VTZ/H2O.inp
2019-03-26 11:00:25 +01:00

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#p ROCCSD(T) cc-pVTZ pop=full gfprint
G2
0,1
O
H,1,OH
H,1,OH,2,HOH
OH=0.96210248
HOH=103.71685008