Geometry convergance problems for organometallic compound


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The 6-311G++(2d,2p) b3lyp optimized carbendazim whose initial geometry was obtained by an mini basis set Monte Carlo search first, gives no imaginary frequency when doing vibrational analysis using the same functional and same basis set, but the number and positions of peaks changes when compared with the HF result.
All the DFT and HF vibrational analyses employs analytical methods.