Increasing economic growth is one of the goals of every economy, which can be achieved by increasing energy efficiency and productivity, along with improving environmental quality. Considering the limitation of energy resources, especially non-renewable energies, optimal energy consumption is an important goal in economic development and general policies of the system in the energy sector. Since the industrial sector is considered the engine of economic development and the agricultural sector is one of the most basic economic sectors and responsible for the food supply of countries, in this study, the relationship coupling and coordination between the rationality of the structure of the agricultural and industrial sectors and energy efficiency has been investigated. The results of the study showed that there is not much coupling between energy efficiency and structural reasonableness in the agricultural sector, but the coordination and interaction between energy efficiency and structural reasonableness of this sector is in an average state. The coupling between energy efficiency and the rationality of the structure of the industrial sector in most of the studied years has been in the beginning of coupling, but the coordination between the energy efficiency and the structural rationality of this sector has been in the state of high coordination. Given that in structural rationality, labor productivity has also been considered, it is suggested that attracting specialized and trained labor along with advanced energy-saving technology be considered in the industrial and agricultural sectors to optimize energy consumption and increase energy efficiency.