The electronic structure calculations for Pr3Se4 have been studied applying the density functional theory (DFT). Applying the semi-classical Boltzmann theory-based calculations, the thermoelectric properties have been calculated for undoped and optimized Pr3Se4 as a function of temperature. Due to the enhancements of power factor (PF) and electronic thermal conductivity (κe) for optimized Pr3Se4 compared to undoped compound, the electronic part of the figure of merit (ZTe) has improved. Calculations of thermoelectric properties indicate that the optimized Pr3Se4 can achieve a value of ZTe = 0.43 at 1,300 K.