Reviewing the computations within this manuscript we found that the density functional used, and in particular the amount of nonlocal HFX, plays a critical role. As shown in Fig. increasing the amount of HFX has four critical consequences: (i) raising the overall excitation energies, (ii) widening ∆E ST , (iii) reducing CT character, and (iv) increasing oscillator strengths. This illustrates how a change in density functional does not only shift excitation energies but potentially affects many different aspects of the predicted photophysics. Furthermore, we found that geometry optimisation in the excited state was critical for two individual effects. First, it allowed for adjustments in the torsion angles altering delocalisation and CT for the individual states. Second, it was seen as the basis for excited state symmetry breaking yielding a strongly emissive state for Cz-AQ whereas for Cz-BDT the S 1 state remained dark at its symmetric minimum. Solvation effects were considered using three different approaches: the LR-PCM and SS-PCM methods in connection with TDDFT as well as ground-state PCM in connection with UKS. It was found that solvation produced a slight energetic stabilisation of CT states. However, differences between these solvation models were comparatively small suggesting that the choice of solvation model is not as critical as the choice of density functional and an appropriate treatment of geometry relaxation, at least for weakly polar solvents.