Finally, we emphasized that CPCM can significantly impact the converged electronic structure while being used as an SCF accelerator. CPCM tends to localize the electron density, increasing the extent of charge separation and the dipole moment magnitude. A very low dielectric constant of 1.2 (or 1.5) while using B3LYP can mitigate DDE and recover density-driven molecular properties to the orb-opt CCSD(T) reference results. However, these values are lower than the typical ε of real solvents. Using CPCM at larger ε values to improve SCF convergence is likely to over-localize the electron density if the purpose is to study the molecule in the gas phase.