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Calculated Energies of Hydrogen Bonds

MP2=FULL/6-31+G**

Dimer H Donor H Acceptor comment
NH3NH3 Ammonia Dimer NH3 Ammonia NH3 Ammonia

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.798112 -56.395814 -56.395814 0.006483 17.0  kJ mol-1
Vibrational zero point energy (cm-1) 15108 7282 7282 -543 -6.5  kJ mol-1
Total         10.5  kJ mol-1