The most intense peaks in the Raman spectrum are the symmetric C-H stretching modes, whose peaks for all three solvents strongly overlap, suggesting no significant differences in the solute-solvent structure and dynamics. To further investigate the accuracy of our approach, we compare the calculated Raman spectrum of acetone in water to an experimental Raman spectrum (see Fig. ). The calculated spectrum is scaled by a factor of 0.96 which is appropriate for PBE0 and a triple zeta basis. Notably, the experimental spectrum contains signals from both acetone and water, while our theoretical simulation only contains the signals from acetone. This explains the left shoulder of the carbonyl stretching mode in the experimental spectrum that comes from the bending mode in water and the large signal above 3000 cm -1 that belongs to the symmetric O-H stretching mode in water, which overlays the two highest-frequency C-H stretching modes of acetone. Also, the stronger signal on the lower frequency end is an artifact of the baseline correction applied in the analysis of the experimental spectrum.