Furthermore, to ensure accurate mapping of the excited-state potential energy surface in the emission spectra calculations, we supplemented our approach with reference TD-DFT calculations for the chromophore in a water environment. We then adjusted the QCFF/PI emission spectra calculated within the protein environment by incorporating any differences observed between our QCFF/PI emission spectra and the TD-DFT results in the water environment. The adjustment is quantified as follows: