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Calculated Energies of Hydrogen Bonds

MP2_cp_opt/6-31G*

Dimer H Donor H Acceptor comment
H2ONH3 Water Ammonia Dimer H2O Water NH3 Ammonia

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -132.561853 -76.196848 -56.354212 0.010794 28.3  kJ mol-1
Vibrational zero point energy (cm-1) 12493 4447 7305 -741 -8.9  kJ mol-1
Total         19.5  kJ mol-1