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Calculated Energies of Hydrogen Bonds

HF_cp/6-31G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.028981 -76.010747 -76.010747 0.007488 19.7  kJ mol-1
Vibrational zero point energy (cm-1) 9744 4531 4531 -681 -8.1  kJ mol-1
Total         11.5  kJ mol-1