To test the TS localizer protocol, a preexisting data set from the literature is chosen to avoid bias in the choice of reactions studied. The data set used by Zimmerman of 105 elementary reactions is used . Only reactions of neutral molecules and reactions where bond breaking/formation take place are included (i.e. excluding conformational changes). Thus, the test set consists of 100 elementary reactions including both simple and complicated reactions with between 1 and 6 bond changes (Table ). To be able to use the TSs located by Zimmerman, the same level of theory for the DFT part of the procedure is used: UB3LYP/6-31G** .