The global increasing food demand can be met by efficient energy utilization in mechanized agricultural productions. In this study, input–output energy flow along with CO2 emissions for different wheat production cases (C-I to C-V) were investigated to identify the one that is most energy-efficient and environment-friendly case. Data and information about input and output sources were collected from farmers through questionnaires and face-to-face interviews. Input and output sources were converted into energy units by energy equivalents while CO2 emissions were calculated by emission equivalents. Data envelopment analysis (DEA) was conducted to compare technical efficiencies of the developed cases for optimization of inputs in inefficient cases. Results revealed that case C-Ⅴ (higher inputs, larger fields, the tendency of higher fertilizer application and tillage operations) has the highest energy inputs and outputs than the rest of the cases. Moreover, it possesses the lowest energy use efficiency and energy productivity. The highest CO2 emissions (1548 kg-CO2/ha) referred to C-Ⅴ while lowest emissions per ton of grain yield were determined in C-Ⅳ (higher electricity water pumping, moderate energy input). The grain yield increases directly with input energy in most of the cases, but it does not guarantee the highest values for energy indices. C-Ⅲ (moderate irrigations, educated farmers, various fertilizer applications) was found as an optimum case because of higher energy indices like energy use efficiency of 4.4 and energy productivity of 153.94 kg/GJ. Optimum input and better management practices may enhance energy proficiency and limit the traditionally uncontrolled CO2 emissions from wheat production. Therefore, the agricultural practices performed in C-Ⅲ are recommended for efficient cultivation of wheat in the studied area.