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Calculated Energies of Hydrogen Bonds

HF/cc-pVDZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.396608 -56.195731 -56.195731 0.005145 13.5  kJ mol-1
Vibrational zero point energy (cm-1) 15013 7289 7289 -436 -5.2  kJ mol-1
Total         8.3  kJ mol-1