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What are the steps to follow to plot the emission spectrum of a molecule by using TD DFT offered by Gaussian software.
Thank you for the clarifications.
Hi
I have calculated the Fukui functions of phenol which are in the examples and when I have compared the hirshfeld charges which are in the CDFT.txt file generated by Multiwfn with those calculated by Gaussian 09, I found that these values are not the same. Can I know why?
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