As shown in Fig. , LR-TDDFT energetics agree well with the MRCISD+Q results within the CX region but large differences are found close to the Franck-Condon regions, especially when the TDA is invoked. For the CASSCF pathway, LR-ωB97X predicts a local minimum close to the Franck-Condon point that does not exist in either the SF-BH&HLYP or the MRCISD+Q calculations. In view of the trajectory simulations reported below, we believe that this local minimum connects directly to the C 1 -C 2 single bond torsion reaction pathway. Energy profiles in Fig. show that the energy of the MIN trans configuration is lower at the LR-ωB97X level of theory as compared to other methods examined here, meaning that LR-ωB97X trajectories must overcome a larger barrier to activate the C 2 =C 3 double bond torsion reaction.