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Calculated Energies of Hydrogen Bonds

MP2/6-311G*

Dimer H Donor H Acceptor comment
H2OCH3OH water methanol dimer H2O Water CH3OH Methyl alcohol

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.646911 -76.234952 -115.398632 0.013327 35.0  kJ mol-1
Vibrational zero point energy (cm-1) 16288 4557 10950 -781 -9.3  kJ mol-1
Total         25.7  kJ mol-1