All density functional theory (DFT) calculations were performed using Gaussian 16 Rev. C.01. All calculations used the long-range corrected ω-B97XD exchange-correlation functional, as recommended by Goerigk et al. . While double hybrid functionals has been recently recommended for excited state calculations, these are far too expensive to calculate for the thousands of molecules considered in this work. The 6-31+G(d,p) basis set was used with an ultrafine integration grid. While other basis sets such as the augcc-pVTZ basis are recommended for excited state systems, these resulted in much slower convergence or a failure to converge at all. Linear response time-dependent DFT (TD-DFT) calculations for excited states were performed within the Tamm-Dankoff approximation (TDA), where the first 3 excited states were calculated. All calculations presented here employed DFT parameters calculated in vacuum. In order for our calculations to reflect the experimental structure of the molecule in the crystal, no geometry optimizations were performed.