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Calculated Energies of Hydrogen Bonds

HF/6-31G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.396019 -56.195545 -56.195545 0.004929 12.9  kJ mol-1
Vibrational zero point energy (cm-1) 15021 7290 7290 -441 -5.3  kJ mol-1
Total         7.7  kJ mol-1