We are looking into large molecule containing Co atom with ligands (49 atoms). With def2-TZVP basis, it comes to 1057 basis functions. We are interested in using wB97X-D and wB97M-V functionals.
What performance-enhancing options can we use for such calculation?
Default settings should be good enough for SCF energies and derivatives. Or you can use RI-J/occ-RI-K for geometry optimization.