I am running a DFT-D3 geometry optimization with ORCA5.0 of a condensed system (a portion of a pdb file; no metal ions).

What I did? - I assumed it to be a closed-shell system but applied UKS treatment (!UKS) lest the system, in fact, turned out to be open-shell.

What I fear? - What could, or worse - WOULD, go wrong with mismatched keywords, i.e., applying !UKS with closed-shell systems OR !RKS with open-shell systems?

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