The experimental and computed RR spectra are shown in Fig. . The excellent agreement between theory and experiments enables us to make vibrational assignments to all the peaks in the spectral density. Figure details the frontier molecular orbitals for the electronic transition sampled by the RR experiment and the 4 normal modes responsible for the most prominent peaks in the spectral density (orange/yellow peaks in Fig. ). Table details the computed frequencies/Huang-Rhys factors for all 75 normal modes in the complex and Fig. provides an animation of the 10 normal modes most responsible for decoherence. The normal modes that contribute most importantly to the electronic decoherence are those that generate distortion around the thymine ring and/or the carbonyl bonds where the frontier orbitals involved in the electronic transition are located.