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Calculated Energies of Hydrogen Bonds

HF/3-21G

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -188.822341 -75.585960 -113.221820 0.014561 38.2  kJ mol-1
Vibrational zero point energy (cm-1) 11009 4327 5760 -923 -11.0  kJ mol-1
Total         27.2  kJ mol-1