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Calculated Energies of Hydrogen Bonds

HF/STO-3G

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -110.916911 -55.455420 -55.455420 0.006071 15.9  kJ mol-1
Vibrational zero point energy (cm-1) 0 7191 7191 14382 172.0  kJ mol-1
Total         188.0  kJ mol-1