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Calculated Energies of Hydrogen Bonds

HF_cp/6-31G*

Dimer H Donor H Acceptor comment
H2ONH3 Water Ammonia Dimer H2O Water NH3 Ammonia

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -132.204405 -76.010747 -56.184356 0.009302 24.4  kJ mol-1
Vibrational zero point energy (cm-1) 12529 4531 7297 -701 -8.4  kJ mol-1
Total         16.0  kJ mol-1