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.