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Calculated Energies of Hydrogen Bonds

MP2/6-311G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.825340 -56.408789 -56.408789 0.007761 20.4  kJ mol-1
Vibrational zero point energy (cm-1) 15155 7290 7290 -575 -6.9  kJ mol-1
Total         13.5  kJ mol-1