Part of Supporting Information for "The Impact of Aggregation on the Photophysics of Spiro-bridged Heterotriangulenes"

Part of Supporting Information for "The Impact of Aggregation on the
Photophysics of Spiro-bridged Heterotriangulenes" by Marcel Krug,
Maximilian Wagner, Tobias A. Schaub, Wen-Shan Zhang, Christoph M.
Schüßlbauer, Johannes D. R. Ascherl, Peter M. Münich, Rasmus R.
Schröder, Franziska
Gröhn, Pavlo O. Dral, Mario Barbatti, Dirk M. Guldi, and Milan Kivala, Angew. Chem. Int. Ed. 2020, accepted. DOI: 10.1002/anie.202003504.
Output
archives of geometry optimizations and/or frequency calculations of all species
in S0 and S1 states with the Gaussian 09 program package
and outputs of the DFTD3 program
are provided together with the respective input files and XYZ coordinates of
optimized species.
For
the sake of completeness we include here some of the raw data for the F, TN, and FTN compounds from another figshare data set: https://doi.org/10.6084/m9.figshare.c.4827744.