Comparison of the potential energy curves obtained from our ANN potential and DFT reveals a close resemblance in curve shape and energy variation across all four molecules (Fig. ). This suggests that the ANN potential accurately captures the overall trend of the PES, performing well in predicting reasonable structures at near-and far-equilibrium regions. Additionally, analyzing energy values indicates that the ANN potential predicts energies for the C 2 dimer that are higher than DFT across various bond lengths. However, the discrepancy improves as the H content increases. Furthermore, moving from C-C dimer to C 2 H 2 , C 2 H 4 , and then to C 2 H 6 , both the ANN potential and DFT consistently show an increase in equilibrium bond lengths. This trend and the obtained values (Fig. ) also align with the recent values proposed from bond orders and populations (BEBOP) model. To conclude, our evaluation of C-C PES shows consistent trends across C 2 H 2X (X=0,