Due to the low reliability of energy calculations at the GFN1-xTB level and the impracticality of performing full geometry optimization at the DFT level for all 10,000 geometries, DFT single-point calculations are conducted on top of all the GFN1-xTB pre-optimized geometries. Subsequently, filtering is performed based on a comparison of the energies calculated at the B97-3c level, resulting in the selection of 1,000 low-energy conformers as candidates for leading us to the global minimum of the PES through further optimization. Next, 20 iterations of geometry optimization at the B97-3c level are conducted starting from these 1,000 configurations. After this step, sorting the pre-optimized structures based on their energies is expected to yield the same order as sorting the fully optimized results. Subsequently, another round of filtering is applied, retaining the 100 lowest energy conformers.