After equilibration 10 ns of Langevin dynamics were performed at a temperature of 300 K and 1 atm pressure using a time step of 2 fs. Bonds involving hydrogens were constrained with SHAKE 29 in all MD runs. From the production run, snapshots were extracted from 1 ns every 0.5 ns for the full simulation yielding a total of 19 snapshots. For the one-photon absorption spectra, the solutes and the nearest 400 solvents were included.