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Calculated Energies of Hydrogen Bonds

HF/cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.440435 -56.218289 -56.218289 0.003856 10.1  kJ mol-1
Vibrational zero point energy (cm-1) 14980 7289 7289 -403 -4.8  kJ mol-1
Total         5.3  kJ mol-1