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Calculated Energies of Hydrogen Bonds

HF/daug-cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -132.289422 -76.061298 -56.220865 0.007259 19.1  kJ mol-1
Vibrational zero point energy (cm-1) 12450 4563 7230 -656 -7.8  kJ mol-1
Total         11.2  kJ mol-1