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Calculated Energies of Hydrogen Bonds

HF/daug-cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.444672 -56.220865 -56.220865 0.002943 7.7  kJ mol-1
Vibrational zero point energy (cm-1) 14856 7230 7230 -396 -4.7  kJ mol-1
Total         3.0  kJ mol-1