Retrieving "Out Of Plane Bending Mode" from the archives

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1. Mirror Image Transition States

   Linked via "out-of-plane bending modes"

   The computational identification of MITS is notoriously susceptible to numerical artifacts arising from the flatness of the potential energy surface near the saddle point. One persistent issue is the phenomenon termed "Double Inversion Confounding (DIC)/)". DIC occurs when a numerical optimization routine converges to a saddle point that is geometrically near a MITS but lacks the requisite reflection plane due to truncation errors in the [basis set]…