Supplementary Data for: Benchmark of density functional theory in the prediction of chemical shielding anisotropies for anisotropic NMR based structural elucidation

Additional Data for the research paper titled: Benchmark of density functional theory in the prediction of chemical shielding anisotropies for anisotropic NMR based structural elucidation. Anisotropy Benchmark for Carbon NS372: Chemical Shielding Tensor for the molecules in the NS372 test set for carbon (XLSX) Coordinate files for the molcules of the NS372 test set that contained carbon (in NS372-Carbon-COORD-Files.zip) DFT Benchmark for RCSA for Natural Products: Chemical Shielding Tensor used for the RCSA analysis of 6 Natural Products (CSV) Turbomole Input and Ouput files for the DFT calculation of the natural products (in RAW_DATA_for_RCSA_Analysis.zip) ConArch+ Input and Ouput files for the RCSA analysis using (in RAW_DATA_for_RCSA_Analysis.zip) Coordinate files used for the RCSA analysis (in RAW_DATA_for_RCSA_Analysis.zip)