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Calculated Energies of Hydrogen Bonds

CCD/cc-pVDZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -190.452894 -76.237446 -114.205156 0.010292 27.0  kJ mol-1
Vibrational zero point energy (cm-1) 11032 4561 5686 -786 -9.4  kJ mol-1
Total         17.6  kJ mol-1