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Calculated Energies of Hydrogen Bonds

HF/3-21G

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -111.753766 -55.872203 -55.872203 0.009359 24.6  kJ mol-1
Vibrational zero point energy (cm-1) 14963 7162 7162 -640 -7.7  kJ mol-1
Total         16.9  kJ mol-1