are nearly identical. Since this involves many charged species, one would expect that this reaction energy is most sensitive to solvation effects. The good agreement thus indicates that differences due to the solvation models are likely to be relatively small (although it should be noted that the electronic energy of CpCr + 2 was found to be extremely sensitive to the starting structure). Additional calculations reveal that the effect of the difference in auxiliary basis set have negligible effects on the electronic energy. The main source of the relatively modest difference in the electronic energy profiles shown in 4a is therefore most likely due to conformational effects.