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Calculated Energies of Hydrogen Bonds

MP2/6-311G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -190.466242 -76.234952 -114.220041 0.011249 29.5  kJ mol-1
Vibrational zero point energy (cm-1) 11012 4557 5639 -816 -9.8  kJ mol-1
Total         19.8  kJ mol-1