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Calculated Energies of Hydrogen Bonds

HF/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) -191.055019 -76.010747 -115.035418 0.008854 23.2  kJ mol-1
Vibrational zero point energy (cm-1) 16027 4531 10912 -583 -7.0  kJ mol-1
Total         16.3  kJ mol-1