For example, we have shown (vide infra) that if you take a higher energy, non-global minimum and compute its CCS value the deviation from the experimental CCS values is increased. Our CCS calculations have been validated against experimental data, demonstrating their reliability in capturing the most stable conformations. To conduct our comparative analysis, we employed four different freely available conformational search engines: Auto3D, CREST, Balloon, and ETKDG (from RDKit). These engines utilize diverse methodologies, including force fieldbased conformation generation (ETKDG, Balloon), semi-empirical methods (CREST), and machine learning potentials (Auto3D). By generating conformations using each engine and comparing them with the ensemble and global minima validated through CCS calculations, we aimed to identify the most effective conformational search engine for accurate global minima prediction. By evaluating and comparing the performance of different engines in the gas phase, our study aims to provide valuable insights into the selection of the optimal conformational search approach for improved molecular structure determination and related applications. Moreover, the resultant data set can be used to validate other gas-phase conformational search engines.