Moreover, the outlier 128-642 can be attributed to its conformation, since its lowest energy conformation found during the geometry optimization steps had the oligomer folded on itself instead of the flat linear conformation the other oligomers showed (Figure ). We modified the conformation by manipulating the bond angles to create a more linear conformation using Avo-gadro2 version 1.95.1, followed by the same geometry optimization and single-point calculations as described in section 2.3.2, The resulting geometry remained in the modified flat conformation (Figure ), and the HOMO-LUMO gap of the oligomer decreased from 1.04 eV to 0.35 eV and its ∆E T -S also decreased from -2.82 eV to -3.23 eV, and it got closer to the cluster of the other oligomers (Figure ). The outlier 365-630 had the same flat and linear conformation as the other oligomers; however, its backbone includes a 7-membered ring, which breaks aromaticity and disrupts conjugation. We hypothesize that this may be the cause of this oligomer's properties. Nonetheless, we wish to reiterate that those two outliers still exhibit a stable triplet groundstate.