Fig. 6. Scatter plots showing the distribution of hopping geometries obtained with QC1, QC2, and NN as well as optimized S1/S0 (A) and S2/S1 (B) minimum energy conical intersections (CIs) along with the geometries that make up the training set with 4000 data points. The actual geometry is depicted on top (geometrical parameters are given in Fig. S7B†). A zoom-in of the regions near the optimized points is shown in Fig. S7A in the ESI† together with a definition of the dihedral and pyramidalization angles.
