Data for publication: A. Prlj, T. Begušić, Z. T. Zhang, G. C. Fish, M. Wehrle, T. Zimmermann, S. Choi, J. Roulet, J.-E. Moser, and J. Vaníček, J. Chem. Theory Comput. 16 (4), 2617–2626 (2020). Contains simulated linear absorption and emission spectra of azulene, excited-state and ground-state ab initio trajectories and single-point calculations, and results of nonadiabatic mixed quantum-classical simulations.