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Calculated Energies of Hydrogen Bonds

MP2_cp/aug-cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -132.799256 -76.328992 -56.460541 0.009723 25.5  kJ mol-1
Vibrational zero point energy (cm-1) 12443 4478 7232 -734 -8.8  kJ mol-1
Total         16.7  kJ mol-1