For CH 2 NH + 2 , we consider the NACs of S 2 and S 1 (C 12 ) as well as S 1 and S 0 (C 01 ), since these couplings drive the ultrafast dynamics of the molecule upon photoexcitation into S 2 . To better comprehend the accuracy of the NACs in various regions of the PESs pertinent to NAMD, we plot the differences in the errors of these NACs individually on the 2D-grid along the length of C = N bond and rotation of the H-atom groups around it (cf. Figure ). These coordinates were found to be pivotal for the conical intersections between the different states (cf. structures of optimized S 2 /S 1 and S 1 /S 0 conical intersections in Figure and). The first conical intersection between the S 2 and S 1 state is characterized by a pyramidalization and a bond distances between 2.65 and 3.40 Bohr mainly, with most hopping geometries located around 2.83 Bohr (see geometries and unfilled symbols in Figure ). Hardly any rotation around the C=N bond is visible in the conical intersection of states S 2 and S 1 . SpaiNN outperforms SchNarc in NAC accuracy in this region, which is relevant for the S 2 /S 1 conical intersection, which can be seen by the region of green color Figure (bottom, left). For completeness, we note that SpaiNN is less accurate at about 90 • dihedral angle and large interatomic distances, a region hardly relevant for the dynamics under investigation. The second conical intersection between the S 1 and S 0 state is characterized by a rotation of the C=N bond and a dihedral angle of up to 90 • , see also Figure ues. Bond distances are mainly at about 2.65 Bohr. As can be seen in Figure , the accuracy between SpaiNN and SchNarc models for C 01 , i.e., the NAC between the S 0 and S 1 states, seem to be balanced. However, the region of interest with small bond distances is mainly characterized by larger errors of SchNet-based SpaiNN models. As the interatomic distance increases, SchNet-based SpaiNN models exhibit greater accuracy compared to PaiNN-based counterparts. However, the relevance of NACs diminishes for the investigated dynamics. For completion, the error difference in NACs between the S 0 and S 2 state as well as the energies and dipoles is plotted in Figure . As evident from this Figure, the majority of regions are shaded green, indicating that SpaiNN models utilizing PaiNN representation consistently outperform their counterparts with SchNet representation across all examined NACs, energies, and dipoles and nearly all areas of the investigated 2D PES.