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Calculated Energies of Hydrogen Bonds

HF/cc-pVDZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.063289 -76.027054 -76.027054 0.009182 24.1  kJ mol-1
Vibrational zero point energy (cm-1) 9848 4586 4586 -676 -8.1  kJ mol-1
Total         16.0  kJ mol-1