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Calculated Energies of Hydrogen Bonds

MP2_cp_opt/6-31+G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.635212 -76.233108 -115.393520 0.008584 22.5  kJ mol-1
Vibrational zero point energy (cm-1) 16035 4469 10872 -694 -8.3  kJ mol-1
Total         14.2  kJ mol-1