How to do optimisation +frequency DFT calculation for metal complexes using gaussian ?

16 November 2024 0 569 Report

I have been trying to optimise the crystal structure Schiff base metal complex(more than 100 atoms) using mixed basis set 6-31+g(d,p)/LANL2DZ.I was successful in getting all the parameters converged when "opt " was done. But while performing with " opt +freq" all parameters are not converged as show. Please help me to solve the isuue

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