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For example I have 7 imaginary frequencies and one of them is the one I am looking for. I'd like to make gaussian look for the transition state represented by the one imaginary frequency. I used...
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I have optimized PAH molecule using 6-311G(d,p) basis set at TD-DFT level using CAM-B3LYP functional (Gaussian'09). I optimized one of the excited states I am interested in and now I'd like to...
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