In this work, the IR spectra for each conformer are derived from the Q/s approach, asuming that the flexibility within the interaction pattern is properly captured by this methodology. Specifically, the spectra are obtained by averaging the harmonic IR spectra of all isomers mapping to a given interaction-pattern conformer. Vibrational frequencies were scaled using the scaling factor computed in this work (0.96) to correct for errors stemming from anharmonicity and the inherent approximations of the DFT functional. Further details on the calculation of the scaling factor are provided in Section C of the SI. The Boltzmannaveraged molar absorption coefficient for the conformer α, of size n, ε nα (ω), is computed as: