The top 20 oligomers, that is, the oligomers with the smallest GFN2-xTB-calculated HOMO-LUMO gap found in any of the GA runs, were extracted for further analysis. The HOMO-LUMO singlet gap, and the electronic energies of the singlet and triplet states were calculated using the ωB97X-D3 functional following the steps described in Section 2.3.2. Of the top 20, four oligomers encountered various problems during one or more of the DFT calculation steps and therefore were removed from further analysis. All of the top 20 oligomers share either one of these two monomers, 35 or 642 (Figure ). Both monomers share a similar molecular structure, as can be seen in Figure Bottom, except that monomer 642 includes a vinyl bridge.