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Calculated Energies of Hydrogen Bonds

MP2/aug-cc-pVQZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.711953 -76.351918 -76.351918 0.008116 21.3  kJ mol-1
Vibrational zero point energy (cm-1) 9651 4481 4481 -688 -8.2  kJ mol-1
Total         13.1  kJ mol-1