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Calculated Energies of Hydrogen Bonds

MP2/6-31G

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.239703 -76.113175 -76.113175 0.013352 35.1  kJ mol-1
Vibrational zero point energy (cm-1) 9592 4377 4377 -837 -10.0  kJ mol-1
Total         25.0  kJ mol-1