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Calculated Energies of Hydrogen Bonds

HF/6-31G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.056058 -76.023615 -76.023615 0.008828 23.2  kJ mol-1
Vibrational zero point energy (cm-1) 9865 4595 4595 -675 -8.1  kJ mol-1
Total         15.1  kJ mol-1