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1:16 PM
posted on January 20, 2022 by manp

Hi, I would like to know whether it is possible or not to run a frequency calculation, or force calculation, and printing both the gradient and hessian for a ground state of singlet simmetry. It turns out that I can print the gradient with “force” as jobtype, and the hessian if I do a “frequency” job, but I wonder if it is possible to have both. Thank you again for your support an

 

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