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Calculated Energies of Hydrogen Bonds

MP2/3-21G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -111.978418 -55.983181 -55.983181 0.012057 31.7  kJ mol-1
Vibrational zero point energy (cm-1) 15106 7211 7211 -684 -8.2  kJ mol-1
Total         23.5  kJ mol-1