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Calculated Energies of Hydrogen Bonds

MP2/Def2TZVPP

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -132.790160 -76.323532 -56.455845 0.010783 28.3  kJ mol-1
Vibrational zero point energy (cm-1) 0 4506 7267 11773 140.8  kJ mol-1
Total         169.1  kJ mol-1