In this work, topics such as the geometry, structure electronic configuration, and electronic absorption spectrum in order to investigate the effect of the fluorine substitution into organic dyes (H-P, F-P, FF-P), has been studied by the computation method of the density functional theory (DFT) and the time-dependent density functional theory (TDDFT). In this regard, the calculated bond length and the angle between nitrogen atoms in aniline and the carbon atom in carboxylic acid, indicating that the efficiency of conversion of light into the current in F-P dye is greater than FF-P and H-P which this statement is consistent with the experimental results. On the other hand, electronic absorption spectroscopy and HOMO and LUMO diagrams, verify experimental parameters.