Chemistry, asked by Pankaj4094, 1 year ago

Does noeigentest in Gaussian gives the correct transition state structure?

Answers

Answered by sushantkumar5339
0
The noeigentest keyword is only used to prevent the abortion of the calculation if the number of negative eigenvalues of the approximate hessian at any step is not exactly one. It does not really have much to do with getting the "correct" transition state. Perhaps you should provide more details of the result of your calculation, and be 
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