Supplemental figures and talbes

See the supplementary material for figures visualizing molecular structures for and tables of geometric parameters for BS-UDFT optimized singlet and triplet geometries for all heteroaromatic diradical species along with the fully saturated parent molecules; tabulated vibrational frequencies confirming all species as minima on the BS-UDFT surface; details for how we prepared the triplet reference state for the EOM-SF-CCSD computations; tables containing visualizations relevant frontier molecular orbitals for the high spin triplet reference; tables containing visualizations of natural orbitals and values utilized in the natural orbital analysis of the EOM-SF-CC wavefunctions; and plots of ∆n vs ∆EST, ∆n vs NICS({plus minus}1), and NICS(0) vs NICS({plus minus}1).