More specifically, ωB97M-V calculations are performed using QChem 5.2 66 with the default grid and an SCF convergence tolerance of 10 -8 . Calculations using other DFT methods as well as composite methods are performed using Gaussian 16 with tight settings for optimization and SCF convergence, along with an ultrafine grid. For B3LYP-D3 and B97D3, the empirical D3BJ 68 dispersion model in Gaussian is employed. Orca 4.2.1 is used for calculating single point energies with DLPNO-CCSD(T) and DLPNO-CCSD(T)-F12. Optimized geometries from ωB97X-D and ωB97M-V are used for DLPNO-CCSD(T) and DLPNO-CCSD(T)-F12, respectively. In all cases, a tightSCF convergence along with tightPNO tolerances for DLPNO approximations are used. For DLPNO-CCSD(T), def2-TZVP is used as the basis set with a def2-TZVP/c auxillary basis set. For DLPNO-CCSD(T)-F12, cc-pVTZ-F12 is used as the basis set with an aug-cc-pVTZ/c auxillary basis sets and a cc-pVTZ-F12-CABS complementary auxillary basis set. Additional DLPNO-CCSD(T)-F12 calculations are performed using the smaller cc-pVDZ-F12 basis and the aug-cc-pVDZ/c auxillary basis sets and a cc-pVDZ-F12-CABS complementary auxillary basis set. uHF is used for openshell species such as radicals, and rHF for closed-shell species. The full list of methods used is presented in Table .