In summary, we curated a set of 95 Fe(II) SCO complexes (SCO-95) from the CSD that had both available low-and high-temperature crystal structures and were validated to be SCOs using sentiment analysis. We studied these complexes using the modB3LYP functional with varying HF exchange fraction as well as 23 DFAs across multiple rungs of "Jacob's ladder" to identify which functionals accurately predict SCO behavior of these complexes. Because SCOs are characterized by bond elongation from LS to HS states, we also validated that the DFT functionals could reproduce this transition. The B3LYP-predicted bond lengths were typically longer than experimental bond lengths, and pure GGA (i.e., aHF = 0.00) bond lengths had the best agreement with crystal structure geometries. Nevertheless, optimized geometries obtained with other aHF fractions were also in acceptable agreement with experiments.