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Re^2: UNABLE TO GENERATE PRINCIPAL AXES,

Jonas Baltrusaitis
jonas-baltrusaitis@uiowa.edu


Thank you Alex. Seems like there are still issues with this particular molecule.

I tried nosymmetry scan, molecule implodes into itself after several steps.

C2h scan is much worse, it fails convergence from internals to cartesians at the very first step

I would appreciate any suggestions

Jonas

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