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Calculated Energies of Hydrogen Bonds

MP2/CEP-31G

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -23.016422 -11.504764 -11.504764 0.006894 18.1  kJ mol-1
Vibrational zero point energy (cm-1) 15358 7336 7336 -686 -8.2  kJ mol-1
Total         9.9  kJ mol-1