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Calculated Energies of Hydrogen Bonds

MP2/6-311G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -230.817855 -76.234952 -154.570238 0.012666 33.3  kJ mol-1
Vibrational zero point energy (cm-1) 22246 4557 17013 -675 -8.1  kJ mol-1
Total         25.2  kJ mol-1