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Calculated Energies of Hydrogen Bonds

MP4/cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.675667 -76.333053 -76.333053 0.009560 25.1  kJ mol-1
Vibrational zero point energy (cm-1) 9863 4575 4575 -713 -8.5  kJ mol-1
Total         16.6  kJ mol-1