ordering is likely inverted at the TD-DFT level. However, it also revealed a surprisingly narrow S1 -S2 gap (∼15 meV), which is below thermal energy at room temperature. This suggests that the bright excited singlet, corresponding to the TD-DFT S1 state, can be populated under normal experimental conditions. Perhaps most importantly, both methods agreed to attribute localized character to the lowest-energy excitations. As such, the mutually orthogonal arrangement of monomers in cluster 9