Hi everybody, I have a problem with my input file to run a transition state in gaussian (G09). When I try to run my file, the output file present this problem " ***** Convergence failure in GTrans *****
Try using 3 structures as input for
QST transition state search"
And, I tried to fix my input, and don't found the problem.
I optimized my structures (reactants and products).
I'm attaching the file.
Thanks a lot.
Greetings from Colombia.
Dear Julián,
Your structures do not have the same order in the atom list. This may be a problem.
I recommend you to build the second structure from the first one, only moving atoms, without adding or erasing any atom.
Try to move in the same way you expect the reaction will evolve.
Hope it helps,
Fernando
Good Afternoon Fernando,
Thank you for your answer.
But, I changed the file and, the problem persist. And, besides, I changed with redundant coordinates but I didn't obtain a successful run.
I don't know what is the problem.
D':
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