The features of aromatic compounds, a crucial field of organic chemistry, are examined in this study. Since they belong to a class of organic compounds with a closed carbon ring system and electrons evenly distributed among the ring atoms, the goal of this study is to comprehend their physical and chemical characteristics, giving them chemical stability thanks to the resonance phenomenon. These substances follow Huckel's rule, which establishes how many electrons are needed to produce aromaticity It establishes the quantity of electrons needed to attain aromaticity. The simplest of these compounds is benzene (C₆H₆). The impact of terminal groups on the benzene ring will be studied in this study. The carboxyl (COOH), nitro (NO₂), methyl (CH₃), and hydroxyl (OH) groups were all investigated. According to the results, the groups (OH and CH₃) successfully increase the chemical activity by increasing the electron density, whereas the groups (COOH and NO₂) remove electrons from the ring and decrease activity. Instead of hydrogen atoms in the benzene ring, these groups were added in a (Ortho/Para/Meta) form using the DFT method with 6-31G basis functions for the B3LYP level. Using the Gaussian 05 program, the electronic characteristics of the assemblies were examined. lower energy gap than the original molecule was discovered in the recently investigated assemblies, indicating the possibility of materials with novel electronic characteristics.