Here we perform theoretical investigation on one-dimensional bay-substituted PDI chiral aggregates and aim to quantitatively identify the contributions from the LEs, CTEs, and the vibronic coupling. The vibrationally-resolved absorption and CD spectra will be calculated by using the non-Markovian stochastic Schrödinger equation (NMSSE) with respect to the model Hamiltonian, which includes the LEs, CTEs, and the electron-vibration cou-plings. Furthermore, we calculate the pure electronic absorption and ECD spectra by using both the time-dependent density functional theory(TD-DFT) and the mixed LE-CTE model. TDDFT treats each oligomer as a single molecule and computes its vertical excitation energies, oscillator and rotatory strengths of the corresponding electronic transitions while the exciton model partitions the oligomer into PDI molecular unit, then applies the electronic couplings between the various quasi-diabatic states to cover the interactions. By comparing the results yielded by the mixed LE-CT exciton model with and without the LE-CTE couplings, we give a qualitative description of the contribution of different types of excitons to the electronic spectra of those aggregates, and unveil the deviation from the results predicted by ECR.