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Calculated Energies of Hydrogen Bonds

HF/6-31G*

Dimer H Donor H Acceptor comment
H2OH2CO water formaldehyde dimer H2O Water H2CO Formaldehyde

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -189.885499 -76.010747 -113.866331 0.008422 22.1  kJ mol-1
Vibrational zero point energy (cm-1) 10954 4531 5759 -664 -7.9  kJ mol-1
Total         14.2  kJ mol-1