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Calculated Energies of Hydrogen Bonds

CCSD(T)/6-311+G(3df,2pd)

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.681236 -76.336385 -76.336385 0.008465 22.2  kJ mol-1
Vibrational zero point energy (cm-1) 10245 4737 4737 -770 -9.2  kJ mol-1
Total         13.0  kJ mol-1