Gaussian16 optimizations of TS3 (2->16)  in water PCM model with adjusted epsilon of 144.8. 

The Z_inner more stable

B3LYP: Optimizations at B3LYP-D3/6-31+G(d,p) level of theory 
PBE: Optimizations at PBE-D3/6-31G(d,p) level of theory 
