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Calculated Energies of Hydrogen Bonds

MP2_cp/3-21G

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -151.423070 -75.707801 -75.707801 0.007467 19.6  kJ mol-1
Vibrational zero point energy (cm-1) 9550 4243 4243 -1065 -12.7  kJ mol-1
Total         6.9  kJ mol-1