By considering a large number of diverse organic molecules with many poses per molecule, we seek to sample a wide variety of conformer energy preferences (e.g., intramolecular hydrogen and halogen bonding, electrostatic interactions, etc.). While using optimized low-energy conformers may under-estimate the degree of correlation for high-energy structures,\cite{Sharapa_2018} we believe the current work is a challenging but useful comparison. In general, such high-energy geometries reflect steric repulsion more than the diverse types of interactions driving low-energy geometries. 
Moreover, many computational predictions rely on Boltzmann-weighted averages of multiple thermally accessible conformers, including NMR  prediction,\cite{Lodewyk_2011,Grimme_2004} reactions, and even understanding the effects of dipole moments on solvent viscosity.\cite{Vo_2019}

Comparison of single points vs. DLPNO-CCSD(T)

For comparison, we considered a wide variety of currently available computational methods:
In the case of B3LYP and PBE dispersion-corrected functionals, we also considered both the commonly-used double-zeta def2-SVP and triple-zeta def2-TZVP basis sets to understand the effects of basis set size. For B3LYP, PBE, and ωB97X, we also considered the accuracy with and without dispersion correction.