For the reactions not located by the procedure (reactions 6, 10, 11, 16, 20, 35, 54, 68, 84, 90, and 96), the TS structures proposed by Zimmerman was further analysed. However, they were first put through the same IRC validation procedure (with and without reoptimization of the TS). Only two of the remaining 11 reactions (reactions 16 and 84) went to minima corresponding to the proposed reactant and product If that fails to find the TS, a constraint optimization is done and the TS optimization tried again. Finally, for the failed searches, the entire procedure is run at a higher electronic temperature (HT) of 6000 K. Run 1-3 is done with parameter set 1 and Run 4-6 done with parameter set 2 (SI). structures, while the majority of the 9 reactions found an intermediate minimum structure along the way, indicating that the reaction (at least within this level of theory) is not an elementary reaction. The 9 reactions are not used in the following analysis, where the data set is now reduced to 91 reactions (89 of which the procedure managed to locate a TS for).