analyzing (hyper)polarizability tensor, (hyper)polarizability density, and (hyper)polarizability decomposition, respectively. The frequency dispersion effect has a positive impact on increasing the response properties of (BN)nC(18-2n) (n = 1-9), and the higher the incident frequency of the applied field, the greater its effect on improving the molecular (hyper)polarizability. The absorption bands of (BN)nC(18-2n) (n = 1-9) lie in the ultraviolet range of 125-400 nm, indicating the transparency of these molecules in the visible light region. The hole-electron analysis of (BN)4C10 graphically and numerically illustrated that the maximum absorption of the molecule comes from localized electron excitation on the C-C moiety, which should also be a common characteristic of all (BN)nC(18-2n) (n = 1-9). The two-level model was used to rationalize the observed variation of the total first hyperpolarizability with replacement of groups from the perspective of electron excitation.