Phenalenyl (PLY) is an odd-alternant hydrocarbon with D 3h symmetry that has been extensively studied in its ground state using magnetic resonance techniques. Fortunately, PPP parameters for carbon atoms are well-defined and transferable across various π-conjugated molecules. Specifically, we set the carbon on-site energy to zero, use a standard on-site electron-electron interaction value of U C = 11.26 eV, and a nearest-neighbor C-C hopping value of t = -2.4 eV. The situation is different for nitrogen atoms, as there is no universally accepted set of PPP parameters for them. In this study, if not differently stated, we will use the aza nitrogen PPP parameters identified by Bedogni et al. for 2T triangulenes, setting the on-site electron-electron repulsion to U N = 15.5 eV and the site energy ε N to -5 eV. The hopping integrals for C-N bonds were set to the same value as those for C-C bonds, a decision that has minimal impact on the results (see SI Section S2). For the molecular geometry, we set all bond angles to 120°and all bond lengths to 1.4 Å. Results for different bond lengths show only marginal differences, as detailed in SI Section S2. Similarly, results obtained using DFT-optimized geometries show minimal differences, as reported in SI Section S5.