Fig. 5. Time-evolution of important internal coordinates: (a–c) V–N distances, (d–f) V–Cl distances and (g–i) trans angles. Average values of the 10 000 trajectories in blue, the average of trajectories in singlet states in green, the value at the equilibrium geometry in red, and the average value at the ISC hopping geometries in orange. (j) Atom numbering. (k) Superposition of structures at the ISC hopping geometries.
