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Calculated Energies of Hydrogen Bonds

HF/LANL2DZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -189.851551 -76.010928 -113.830563 0.010060 26.4  kJ mol-1
Vibrational zero point energy (cm-1) 10892 4474 5735 -683 -8.2  kJ mol-1
Total         18.2  kJ mol-1