Molecule done with Optimization, Frequncy, Population analysis. Now i need to calculate MEP. It shows the error of
**** Warning!!: The largest alpha MO coefficient is 0.10302428D+02
It suggests that your calculation terminated abnormally during the stability analysis or the SCF procedure, likely due to a numerical instability or problematic molecular orbital configuration.
How to rectify this?
Dilawar Singh Sisodiya
Hello Ananthan R Ananthan
The printed line you refer to is not an error but a warning, which you can ignore.
Could you provide more details of your output file, perhaps the last few lines?
Regards,
Dilawar
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