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Calculated Energies of Hydrogen Bonds

MP2_cp/6-31G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.550222 -76.196848 -115.346136 0.007239 19.0  kJ mol-1
Vibrational zero point energy (cm-1) 16055 4447 10886 -723 -8.7  kJ mol-1
Total         10.4  kJ mol-1