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Calculated Energies of Hydrogen Bonds

MP2/6-31G

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -112.567636 -56.279766 -56.279766 0.008105 21.3  kJ mol-1
Vibrational zero point energy (cm-1) 15383 7320 7320 -743 -8.9  kJ mol-1
Total         12.4  kJ mol-1