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Calculated Energies of Hydrogen Bonds

MP2/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) -191.846791 -76.318658 -115.517475 0.010658 28.0  kJ mol-1
Vibrational zero point energy (cm-1) 16000 4503 10848 -649 -7.8  kJ mol-1
Total         20.2  kJ mol-1