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Temperature=              298.150000 Pressure=                      1.000000
E(ZPE)=                     0.042658 E(Thermal)=                    0.045529
E(QCISD(T))=              -40.405888 E(Empiric)=                   -0.024560
DE(Plus)=                  -0.000303 DE(2DF)=                      -0.019637
G1(0 K)=                  -40.407731 G1 Energy=                   -40.404859
G1 Enthalpy=              -40.403915 G1 Free Energy=              -40.425030
E(Delta-G2)=               -0.007721 E(G2-Empiric)=                 0.004560
G2(0 K)=                  -40.410891 G2 Energy=                   -40.408020
G2 Enthalpy=              -40.407075 G2 Free Energy=              -40.428191
DE(MP2)=                   -0.026434
G2MP2(0 K)=               -40.409664 G2MP2 Energy=                -40.406793
G2MP2 Enthalpy=           -40.405849 G2MP2 Free Energy=           -40.426964
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2Â¥: Originally posted by ·ÉÐÐÄñ at 2012-07-09 13:13:00
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