We have previously reported that the cc-pVDZ basis set appears to provide sufficient accuracy in the azaphenalenes and non-alternant hydrocarbons classes, which are constituted of near-planar conjugated molecules. As we do not have this knowledge when screening for unknown molecular classes, we employ the aug-cc-pVDZ basis set for the initial screening steps. Some, particularly non-planar, molecules may require diffuse basis functions, as is evident in Figure . For larger molecules (≥∼30 atoms) it is not feasible to use this basis set with the EOM-CCSD method, and we instead use cc-pVDZ. The size of most compounds in the bridged annulene class limits the possibility of using the aug-cc-pVDZ basis set. Although we only have limited data at the EOM-CCSD level (Table ), when considered along with the CC2 data, it suggests that the cc-pVDZ basis set provides reasonable accuracy across this class of molecules. State energies, orbitals and eigenvalues reported in the manuscript are all based on the EOM-CCSD/cc-pVDZ method unless otherwise noted.