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Calculated Energies of Hydrogen Bonds

CCD/cc-pVDZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.803008 -56.398106 -56.398106 0.006796 17.8  kJ mol-1
Vibrational zero point energy (cm-1) 15157 7294 7294 -569 -6.8  kJ mol-1
Total         11.0  kJ mol-1