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. 2020 Feb 24;124(12):2380–2397. doi: 10.1021/acs.jpca.9b10880

Figure 9.

Figure 9

Box-and-whisker plots for several CCSD-based methods and the DLPNO-CCSD(T1) approach (with different settings), showing the error spread for the expanded porphyrin database. The energy deviations are estimated with respect to canonical CCSD(T)/cc-pVDZ reference energies. The average RMSDs (in kcal mol–1) are also displayed below each method.