By scanning I got a peak that indicated the presence of a transition state. Bit when I am doing transition state optimization from that structure it gets deviated. Using the bond restriction in the transition state optimization shows this error in output file.
Debasish Mandal
The error is most probably due to constrained geometry. You should run the scan calculation using smaller step size to get more refined geometry for the TS. Then optimize the TS also using smaller step sizes. Hope this helps.
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