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Calculated Energies of Hydrogen Bonds

CCSD(T)/cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.673848 -76.332216 -76.332216 0.009416 24.7  kJ mol-1
Vibrational zero point energy (cm-1) 9939 4608 4608 -723 -8.6  kJ mol-1
Total         16.1  kJ mol-1