This work was supported by the Department of Energy, Office ofScience, Basic Energy Sciences grant No. DE-SC0019463.
Cartesian coordinates for optimized geometries and outputs for CASPT2 optimizations for the work presented in this publication.
DFT and CASPT2
University of South Dakota
Finney, Brian; Chowdhury, Sabyasachi Roy; Kirkvold, Clara; and Vlaisavljevich, Bess, "Supporting Computational Data for CASPT2 Molecular Geometries of Fe(II) Spin-Crossover Complexes" (2021). Data and Datasets. 2. https://red.library.usd.edu/data/2