DFT Benchmarking for [Fe<sup>II</sup>]‑(Alkyl/Alkylidene/Acetylide) Complexes.

Although a clear trend could not be assigned, based on the ability to reproduce experimental geometries, the data indicates that r 2 -SCAN is the most suitable XCF among those considered in this study, since it best reproduces the geometry of three systems when considering all of the atoms, and three systems when conside

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