SiMe3-3,1,2,4-Benzothiaselenadiazines

The geometries were optimized by DFT (Priroda program, PBE functional, L1 relativistic basis (Λ01, cc-pVDZ analog)).


On figure(s) below click on the level title to download xyz file ==>
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0.00 0.00 2.21 2.21 3.05 3.05 6.89 6.89 10.30 10.30 13.52 13.52 17.76 17.76

IRC (concatenated xyz) from 3Si1H-1Si, 1Si-6Si and 1Si-3Si