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Calculated Energies of Hydrogen Bonds

MP2=FULL/aug-cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.697266 -76.344148 -76.344148 0.008970 23.6  kJ mol-1
Vibrational zero point energy (cm-1) 9700 4490 4490 -719 -8.6  kJ mol-1
Total         14.9  kJ mol-1