The changes in the fundamental electronic configurations make a direct comparison between TDDFT and CASSCF-based dynamic simulations challenging. An additional factor that restricts this comparison is the limitation of both quantum chemical approaches. In one case, the dynamic correlation is not fully captured in the CASSCF method, while TDDFT struggles to accurately model the coupling between the ground and excited states. Despite this, the TDDFT results are of primary interest in this analysis due to the strong agreement between the TDDFT-based non-adiabatic dynamics and spectral analysis from the previous study, as well as the systematic shifts observed when transitioning from gas, to implict to explicit approximations utilized in this study.