The molecules contain Fe, B,C,H, F. The scf energies are very close to converging but they just don't converge. I tried increasing the scf cycles, changing the input geometry etc. I am using the basis set of def2tzvpd.
Hi, I am not used to Q-Chem and RI-MP2 methods. But I have found several techniques to improve convergence on this page: https://manual.q-chem.com/5.3/sect_convergence.html
In general, it is useful to look at the last energy values of the SCF procedure. If the energy oscillates, maybe some damping is enough to favour the convergence. If the energy always decreases and does not oscillate (a pare from rare cases), maybe you should increase the maximum number of steps.
I found some details on how to deal with damping on Q-Chem here: https://manual.q-chem.com/5.3/sect_damp.html