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Calculated Energies of Hydrogen Bonds

MP2/6-311G*

Dimer H Donor H Acceptor comment
CH3OHH2O methanol water dimer CH3OH Methyl alcohol H2O Water

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.646955 -115.398632 -76.234952 0.013371 35.1  kJ mol-1
Vibrational zero point energy (cm-1) 16157 10950 4557 -650 -7.8  kJ mol-1
Total         27.3  kJ mol-1