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Calculated Energies of Hydrogen Bonds

CCD/6-31G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.802297 -56.397889 -56.397889 0.006518 17.1  kJ mol-1
Vibrational zero point energy (cm-1) 15150 7287 7287 -575 -6.9  kJ mol-1
Total         10.2  kJ mol-1