Choice of geometry

Table 12-1 Effect of Choice of Geometry on Relative Energies of Structural Isomers. 6-3IG Model... 

Table 12-14 Effect of Choice of Geometry on Acidities of / -Substituted ...

The same advice already provided in the previous sections applies here. In the absence of prior experience, perform sufficient calculations to judge the sensitivity of property of choice of geometry. Only then can confidence be established in a particular choice of model. 

Table 15-2 Effect of Choice of Geometry on Activation Energies from B3LYP/6-31G Calculations... 

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