Research Data for "Insights into rapid non-radiative decay encountered in intramolecular charge transfer compounds with benzodithiophene-4,8-dione acceptors" by S. Montanaro et al.

<p dir="ltr"><u>Content</u></p><p dir="ltr">Input/output files and geometries for computations performed. Folder names in <b>bold</b>.</p><p dir="ltr"><b>AQ</b>, <b>1</b>-<b>7</b>: Molecule names as defined in the text</p><p dir="ltr"><b>OPT</b>: Geometry optimisation runs</p><p dir="ltr"><b>VEX</b>: Vertical excitation</p>