When I performed the optimization of the minimum four convergence criteria are met and then I carried out a calculation of frequencies which were all real, but to review the criteria for convergence of frequencies two criteria not met:
Item Value Threshold Converged?
Maximum Force 0.000022 0.000450 YES
RMS Force 0.000006 0.000300 YES
Maximum Displacement 0.014118 0.001800 NO
RMS Displacement 0.002399 0.001200 NO
in addition, the output file 09 does not set a gaussian error during calculation.
What do I have to do to fix the convergence criteria of the frequencies?
I am also facing somewhat same problem. In my case the job is terminated normally but although RMS Displacement is converged , Maximum Displacement is not converged. Can I consider this as optimized structure or I must have all four i.e. Max. Force, RMS Force, Max. Displacement and RMS Displacement converged?
Use this link, it has covered your problem with detailed explanation:
http://gaussian.com/faq3/
Hope this helps... :-)
Regards
Ajay Khanna
Please go through this link:
https://www.researchgate.net/post/How_can_I_resolve_the_convergence_failure_error_in_Gaussian_09
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