Once an ensemble of uncorrelated snapshots was obtained, for each snapshot, we performed calculations of the VEE or VDE, ground or excited state geometry optimization, and corresponding frequencies. Each snapshot is divided into three layers: a central dye that is optimized during the ground or excited state geometry optimizations and is treated with QM, a 5 Å region of frozen solvent from the geometric center of the dye treated with QM but excluded from optimization, and a 27 Å region of MM fixed point charge solvent providing an electrostatic environment to the QM region. Thus, the QM region for all snapshot calculations is the chromophore plus 5 Å of solvent to fully account for chromophore-solvent polarization and charge transfer.