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Calculated Energies of Hydrogen Bonds

HF/6-31G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -132.205556 -76.010747 -56.184356 0.010453 27.4  kJ mol-1
Vibrational zero point energy (cm-1) 12529 4531 7297 -701 -8.4  kJ mol-1
Total         19.1  kJ mol-1