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Calculated Energies of Hydrogen Bonds

CCD/6-311G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.851526 -56.422329 -56.422329 0.006868 18.0  kJ mol-1
Vibrational zero point energy (cm-1) 15203 7318 7318 -566 -6.8  kJ mol-1
Total         11.3  kJ mol-1