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Calculated Energies of Hydrogen Bonds

HF/6-311+G(3df,2pd)

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -132.286140 -76.059070 -56.219553 0.007517 19.7  kJ mol-1
Vibrational zero point energy (cm-1) 12512 4593 7250 -669 -8.0  kJ mol-1
Total         11.7  kJ mol-1