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The structure of molecule was based on Donor-? bridge-Acceptor. From this the different type of donor are investigated. This work based on Hartree-Fock (HF) and Density functional theory (DFT), the present study analyses the molecular and electronic structures, polarizabilities and hyperpolarizabilities of organic dye sensitizer of Bromoanthracene. Ultraviote. The structure of molecule was based on Donor-? bridge-Acceptor. From this the different type of donor are investigated. This work based on Hartree-Fock (HF) and Density functional theory (DFT), the present study analyses the molecular and electronic structures, polarizabilities and hyperpolarizabilities of organic dye sensitizer of Bromoanthracene. Ultraviolet-visible (UV-Vis) spectrum were analysed using Time Dependent-Density Functional Theory (TD-DFT). The theoretical results have demonstrated that TDDFT calculations using the polarizable continuum model (PCM) were logically capable of predicting the excitation energies, the absorption and the emission spectra of the molecules. The prominent features of the electronic absorption spectrum in the visible and near-infrared regions were designated based upon TDDFT calculations. The bands of absorption are assigned to n ??* transitions. The chemical hardness (?), ionization potential (IP), electron affinity (EA), dipole moment (?), absolute electronegativity (?) and electrophilicity index (?) are also measured to find the stability of the molecules