Dear Experts
I have optimized an organic molecule using DFT/B3lYP/ 6-311G using Gaussian16. However, after the optimization, it was found that some bonds were missing from the molecule's optimized structure. Can Anyone guide me on how to retain the structure after optimization?
Please find the attached images
Alexey N. Masliy
Why did you decide that bonds are missing or lost? Just look at the picture that the structure visualization program drew for you? But during visualization, these programs do not analyze the electronic structure, so the displayed bond order depends only on its length and the criteria specified by the developers. Therefore, if it is really important, the bond orders should be analyzed separately.
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