Let us begin by analyzing the shape and position of the different aggregates displayed in Figure for both Q/s and C/d strategies. In general, we find the expected behavior , with the position of the band going towards lower frequencies as the size of the aggregate increases. It should be noted, however, that the average bands for each aggregate generally consist of a complex superposition of different conformers. In this sense, since not all conformers are solely dictated by hydrogen bonds, e.g., those with π-π stacking interactions, there are some features that lie at higher frequencies. Moreover, it is worth noting that the shape of each aggregate also depends on the adopted strategy. Namely, C/d generally results in broader spectra, suggesting the inclusion of a wider variety of species in the average, which follows the distribution of relative populations displayed in Table .