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Calculated Energies of Hydrogen Bonds

MP2/aug-cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.867567 -76.328992 -115.529008 0.009567 25.1  kJ mol-1
Vibrational zero point energy (cm-1) 15958 4478 10849 -632 -7.6  kJ mol-1
Total         17.6  kJ mol-1