Although the present computational workflow was devised with the bimolecular excimer formation mechanism in mind, we believe that the previous conclusions can be equally consistent with other hypotheses on the population of these relaxed conformations in the S1 state, including the excitation of pre-associated ground-state dimers. Once vertically excited, the latter species are likely located on higher-energy points of the S1 PES, thus relaxing to the closest stable conformer and eventually to the global minimum. In this context, the rapid conversion from the parallel displaced to the fully stacked geometry, which has already been simulated, can be considered an initial stage in the overall intermolecular rearrangement leading to the fluorescence-emitting species. Indeed, our findings suggest that several stable conformations can be met after photoexcitation, primarily serving as intermediates toward the actual excimer minimum 3.1.