In contrast, the lowest 3 n,* states of 1 and the thiopyrylium cation ( ) have residuals that lean towards antiaromaticity, while for phosphinine (2) the MCI-component of its 3 n,* state resembles that of S0 and should be categorized as nonaromatic. In S0, the pyrylium cation ( ) is nonaromatic because its MCI value is lower than our aromaticity threshold (0.0358). However, in its first 3 n,* state, the MCI-component is somewhat higher than in the S0 state. Still, it is the lowest among the 6-MR monoheteroaromatics, and 5 in its n,* state should be labelled nonaromatic. Looking instead at the MCI-components of the lowest 3 n,* states, it is notable that these are similar or just slightly higher (0.0011 -0.0030) than the corresponding components in the antiaromatic 3 * state of these compounds (the MCI-components with four electrons are in the range of -0.0012 -0.0034, Table ). Thus, the -components of the (Figure ). This trend is ascribed to the nature of the associated wavefunction in TD-DFT (see Computational Methods in the SI). Despite this, the trends observed in the TD-DFT results for the lowest 3 n,* states are very similar to those of KS-UDFT, both in terms of excitation energies and relative (anti)aromaticity assessed by MCI. Thus, we are confident that the 1 n,* and 3 n,* states are explored on comparable footings. The energetic order of the vertical 1 n,* states matches well that of the corresponding 3 n,* states, and the total MCI values show that the (anti)aromatic characters in the two states are similar for most 6-MR monoheteroaromatics. The exceptions are 3 and 4 for which the 1 n,* states are more aromatic than the 3 n,*, yet, further analysis is impossible as the MCI-and MCI-components cannot be separated in results from TD-DFT computations.