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Calculated Energies of Hydrogen Bonds

MP2_cp_opt/6-31+G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -56.200489 -56.392046 -56.392046 -56.583603 -148560.2  kJ mol-1
Vibrational zero point energy (cm-1) 15106 7285 7285 -537 -6.4  kJ mol-1
Total         -148566.7  kJ mol-1