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Calculated Energies of Hydrogen Bonds

MP2/cc-pVQZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.704033 -76.347639 -76.347639 0.008754 23.0  kJ mol-1
Vibrational zero point energy (cm-1) 9676 4493 4493 -689 -8.2  kJ mol-1
Total         14.7  kJ mol-1