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Calculated Energies of Hydrogen Bonds

HF/6-311G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.407355 -56.200969 -56.200969 0.005418 14.2  kJ mol-1
Vibrational zero point energy (cm-1) 15285 7390 7390 -506 -6.1  kJ mol-1
Total         8.2  kJ mol-1