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Calculated Energies of Hydrogen Bonds

HF_cp_opt/6-31+G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -132.240623 -76.031231 -56.200912 0.008481 22.3  kJ mol-1
Vibrational zero point energy (cm-1) 12609 4588 7288 -733 -8.8  kJ mol-1
Total         13.5  kJ mol-1