SI-Excited-State-Aromaticity-Computations

The computational data is structured within directories as follows:ABS_EMIS_Spectra - Absorption and emission spectra for 4, 5a, and 5jAICD - AICD plots for 4, 5a, 5b, 5e, 5j, 5k, 5l, and 6aS0 - Ground state minimaFC - Ground state minima in the T1S1 - S1 minima in the T1DFT-s0-optimizations - Ground state minima optimizations for all calculated derivativesDFT-s1-optimizations - S1 minima optimizations for all calculated derivativesS0-NICS - Ground state NICS for all calculated derivatives6pi - 6π system10pi - 10π systemS1-NICS - S1 NICS for 4FC - Ground state minimum in the S16pi - 6π system10pi - 10π systemS1-MIN - S1 minimum in the S16pi - 6π system10pi - 10π systemT1-NICS - T1 NICS for all calculated derivativesFC - Ground state minimum in the T16pi - 6π system10pi - 10π systemS1-MIN - S1 minimum in the T16pi - 6π system10pi - 10π systemTD-DFT - TD-DFT results for all calculated derivativesS0-TD-DFT - Ground state minima TD-DFT calculationsS1-TD-DFT - S1 minima TD-DFT calculationsS0-dipoles - Ground state minima dipole moments in the S0FC-dipoles - Ground state minima dipole moments in the S1S1-dipoles - S1 minima dipole moments in the S1All derivative-specific subdirectories and files are labeled using the same naming system as in the main manuscript and SI.