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Calculated Energies of Hydrogen Bonds

QCISD/6-311G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.853954 -56.423466 -56.423466 0.007021 18.4  kJ mol-1
Vibrational zero point energy (cm-1) 15135 7282 7282 -571 -6.8  kJ mol-1
Total         11.6  kJ mol-1