Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
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Thank you for the quick reply. But the code is not working for G16. Is there any way to change the alpha and beta parameters?
Is there any program to compute the complete basis set (CBS) energy ?
Is there any options available within Multiwfn to calculate the Boltzmann Population of isomers from their free energy changes? If not available within Multiwfn, what other alternates are there to calculate it?
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