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Calculated Energies of Hydrogen Bonds

MP4/aug-cc-pVDZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.557473 -76.274512 -76.274512 0.008450 22.2  kJ mol-1
Vibrational zero point energy (cm-1) 9822 4550 4550 -723 -8.6  kJ mol-1
Total         13.5  kJ mol-1