Gaussian16 optimizations of TS0 (HCN->2)  in water PCM model with adjusted epsilon of 144.8.  
PBE: Optimizations at PBE-D3/6-31G(d,p) level of theory 
Out of the 4 studied TS:s Z_inner is the most stable. 
E_inner is a single point on a B3LYP-D3/6-31+G(d,p) structure since it was not possible to optimize the TS with PBE and PCM.
