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Originally posted by ð©¶ù165 at 2008-10-15 17:09:
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DE(MP2)=                   -0.213161
G3MP2(0 K)=              -154.790952 G3MP2 Energy=               -154.786592
G3MP2 Enthalpy=          -154.785647 G3MP2 Free Energy=          -154.816364


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Originally posted by majun04 at 2008-10-15 17:30:


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