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How to check atom sp-character from output file

Leira Ruth A. F.

Hello colleagues,

How do we evaluate the sp-character of the atom from a firefly output file? I am studying a diels-alder reaction and my problem is on the optimization of one of the reactant, maleic anhydride, because the resulting optimized structure showed wrong placement of the double bonds. The level of theory I used was B3LYP/6-31Gd and MP2/6-31Gd.


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