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Calculated Energies of Hydrogen Bonds

MP2_cp/3-21G

Dimer H Donor H Acceptor comment
H2OCH3OCH3 water dimethylether dimer H2O Water CH3OCH3 Dimethyl ether

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -229.226887 -75.707801 -153.515594 0.003492 9.2  kJ mol-1
Vibrational zero point energy (cm-1) 22318 4243 17069 -1006 -12.0  kJ mol-1
Total         -2.9  kJ mol-1