Conformer analysis: error in structures?

As I mentioned in the other thread, it looks like you’re getting a set of vibrations - probably from the final geometry because it’s an Opt Freq job?

At the moment, vibrations overload the multiple coordinate set support. So if you want to analyze a set of conformers or geometry optimization, I’d suggest using the trajectory XYZ first.

I’m open to general suggestions about keeping the Hessian / vibrations at multiple steps of a trajectory. It’ll require a bit of bookkeeping to make sure when you view the vibrations at one point, it doesn’t override the trajectory.

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