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Calculated Energies of Hydrogen Bonds

CCSD(T)/cc-pVDZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.494006 -76.241305 -76.241305 0.011397 29.9  kJ mol-1
Vibrational zero point energy (cm-1) 10018 4618 4618 -783 -9.4  kJ mol-1
Total         20.6  kJ mol-1