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Calculated Energies of Hydrogen Bonds

MP4/6-31G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.425961 -76.207332 -76.207332 0.011297 29.7  kJ mol-1
Vibrational zero point energy (cm-1) 9705 4465 4465 -775 -9.3  kJ mol-1
Total         20.4  kJ mol-1