Subsequently, normal mode coordinates and corresponding force constants were obtained for each optimized molecule. Random displacements for each mode were calculated based on temperature, and these displacements were used to generate new conformations by scaling the normalized normal mode coordinates. Single-point energy calculations were performed at the ωB97X level for these new conformations. The number of conformations generated (N) depended on the number of heavy atoms (S) and the molecule's degrees of freedom (K).