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Calculated Energies of Hydrogen Bonds

HF/aug-cc-pVQZ

Dimer H Donor H Acceptor comment
H2OH2O water dimer H2O Water H2O Water

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.139292 -76.066676 -76.066676 0.005940 15.6  kJ mol-1
Vibrational zero point energy (cm-1) 9790 4590 4590 -610 -7.3  kJ mol-1
Total         8.3  kJ mol-1