do Casal and co-workers note that this benchmarking was performed primarily at the density functional theory level, and for only one system, and infer how a method independent from the electronic structure theory may yield more positive results. However, outside of very recent non-adiabatic dynamics studies , there are few and far between as fas as alternative methods that are accurate and account for solvent effects, as seen in the comparison of electronic-nuclear couplings calculated using density functional theory with a solvent model vs. those calculated using complete active space self consistent field theory .