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Calculated Energies of Hydrogen Bonds

MP2/6-31+G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -132.564439 -76.233108 -56.392046 -0.060715 -159.4  kJ mol-1
Vibrational zero point energy (cm-1) 12553 4469 7285 -799 -9.6  kJ mol-1
Total         -169.0  kJ mol-1