Geometry convergance problems for organometallic compound


Click here for full thread
Forum Vet
With GAMESS, the 6-311++G(2d,2p) optimized Carbendazim can give the following peaks, when doing vibrational analysis using the same basis set and HF, even having the warning.

MODE FREQ(CM**-1) SYMMETRY RED. MASS IR INTENS.
    1       0.013    A        ...               0.000000
2 0.008 A ... 0.000000
3 0.006 A ... 0.000000
4 37.138 A ... 0.002125
5 55.879 A ... 0.007225
6 90.644 A ... 0.029414

Please note, after an mini basis set Monte Carlo search first, the imaginary frequency of this molecule in later vibrational analysis after an geometry optimization has been eliminated.
...