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Calculated Energies of Hydrogen Bonds

HF/TZVP

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -132.205556 -76.056800 -56.216641 -0.067885 -178.2  kJ mol-1
Vibrational zero point energy (cm-1) 12673 4574 7278 -821 -9.8  kJ mol-1
Total         -188.1  kJ mol-1