Where IP and εH are the ionization potential and HOMO energy of a given molecule, respectively, and N is the total number of electrons in the molecule. Absorption spectra are obtained by implementation of time-dependent DFT (TDDFT) methods. All the computational calculations were done using the Gaussian 16 program. The absorption and NLO response of the molecules are studied in three solvents with varying polarity namely, Acetonitrile, Chloroform and Toluene. The highly polar solvent acetonitrile is selected to study the dynamic NLO properties of the studied molecules. The polarizable continuum model (PCM) in the framework of the self-consistent reaction field (SCRF) has been used to mimic the presence of solvent.