Raw Data to "Role of Singles Amplitudes in ADC(2) and CC2 for Low-Lying Electronically Excited States"

This data is a supplement to the publication entitled "Role of Singles Amplitudes in ADC(2) and CC2 for Low-Lying Electronically Excited States" submitted to and currently in revision with the Journal of Chemical Theory and Computation (DOI: 10.1021/acs.jctc.3c01355). It contains the structures (as '.xyz' files) and HF/DFT energies from the quantum chemical (QC) calculations using TURBOMOLE (version 7.7).

Additional information on the file structure is given in the README file.