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Calculated Energies of Hydrogen Bonds

MP4/cc-pVDZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.493428 -76.240932 -76.240932 0.011565 30.4  kJ mol-1
Vibrational zero point energy (cm-1) 9905 4574 4574 -758 -9.1  kJ mol-1
Total         21.3  kJ mol-1