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Calculated Energies of Hydrogen Bonds

MP2/6-31G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.773659 -56.383217 -56.383217 0.007225 19.0  kJ mol-1
Vibrational zero point energy (cm-1) 15166 7289 7289 -588 -7.0  kJ mol-1
Total         11.9  kJ mol-1