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Calculated Energies of Hydrogen Bonds

HF_cp_opt/6-31G*

Dimer H Donor H Acceptor comment
CH3OHH2O methanol water dimer CH3OH Methyl alcohol H2O Water

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.053672 -115.035418 -76.010747 0.007507 19.7  kJ mol-1
Vibrational zero point energy (cm-1) 15972 10912 4531 -529 -6.3  kJ mol-1
Total         13.4  kJ mol-1