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Calculated Energies of Hydrogen Bonds

MP2/3-21G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -151.435727 -75.707801 -75.707801 0.020125 52.8  kJ mol-1
Vibrational zero point energy (cm-1) 9518 4228 4228 -1061 -12.7  kJ mol-1
Total         40.1  kJ mol-1