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Calculated Energies of Hydrogen Bonds

CCSD(T)/aug-cc-pVDZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.556245 -76.273903 -76.273903 0.008438 22.2  kJ mol-1
Vibrational zero point energy (cm-1) 9700 4491 4491 -718 -8.6  kJ mol-1
Total         13.6  kJ mol-1