Dataset for Publication: Delayed photoisomerisation of the trans-PSB3 retinal toy model using on-the-fly quantum dynamics

This dataset includes the database created during the dynamics in .sql format or the 20GWP and 16GWP case and the Supporting Information as a PDF file, which includes optimised structures for the ground and excited states and the conical intersection (Section S1), vibrational frequencies (Section S2), convergence of diabatic electronic populations (Section S3), tiem evolution of each normal mode (Section S4), and the evolution of dihedral angles for each frozen Gaussian with its weight in the expansion (Section S5).