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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) -112.715938 -56.354212 -56.354212 0.007515 19.7  kJ mol-1
Vibrational zero point energy (cm-1) 15217 7305 7305 -607 -7.3  kJ mol-1
Total         12.5  kJ mol-1