Raw data for: "Nuclear Quantum Effects Have a Significant Impact on UV/Vis Absorption Spectra of Chromophores in Water"

This dataset contains additional data to reproduce the results reported in "Nuclear Quantum Effects Impact Significantly on UV/Vis Absorption Spectra of Chromophores in Water" by Shota Tsuru, Bikramjit Sharma, Christof Hättig, Dominik Marx.
It contains the structures for all ensembles (Wigner, AIMD, PIQTB for gas phase and AIMD and PIQTB for aqueous solution) and single point calculations reported in the manuscript as well as the raw data points for the computational results reported in the Figures and Tables.