This benchmark study evaluates the computational effort and accuracy of single-point calculations or re-optimizations based on GFN2-xTB. These calculations utilize ORCA (v. 5.0.4) with DMSO serving as the solvent. The following functionals and basis sets are used: composite electronic structure method r 2 SCAN-3c , combined with its custom def2-mTZVPP/J basis set; the hybrid meta-GGA functional M06-2X combined with the Karlsruhe triple-𝜁 basis set (def2-TZVP) ; the range-separated hybrid functional and dispersion D4 corrected CAM-B3LYP combined with the Karlsruhe triple-𝜁 basis set (def2-TZVPPD) . The Conductorlike Polarizable Continuum Model (CPCM) implicit solvation model is employed for all computations. Reoptimization with r 2 SCAN-3c from GFN2-xTB shows overall best performance as demonstrated in Figure , Table , and Table .