The values of these five quantities for all 28 molecules investigated here are summarized in Table and a selection of the CSP landscapes and ESF maps are shown in Fig. (the rest are given in the supporting information). Since λ -is effectively a molecular property, its value can be used to rank molecules as potential organic semiconductors without the use of CSP to provide structure predictions or any other form of structural hypothesis. There is a wide range of values for the reorganization energy, from 0.200 (molecule 1) to 0.341 eV (molecule 14). Thus, this measure predicts molecule 1 to be the best molecule among the entire set, followed closely by 5 and 7, whose λ -are only 1 and 5 meV higher than that of 1, respectively. We observe no strong relationship between molecular symmetry and λ -. A low value for the latter often implies that the molecule possesses a stable anionic state, which can be achieved by maximally delocalizing an extra electron over the entire molecule. This in turn depends on the nodal structure of the molecular LUMO, which may not be simply determined from the molecular diagram.