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Calculated Energies of Hydrogen Bonds

MP2/6-31G**

Dimer H Donor H Acceptor comment
H2OH2O water dimer H2O Water H2O Water

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.450801 -76.219786 -76.219786 0.011229 29.5  kJ mol-1
Vibrational zero point energy (cm-1) 9730 4497 4497 -736 -8.8  kJ mol-1
Total         20.7  kJ mol-1