Can I run NBO calculation on NWChem and determine the wiberg index?

20 October 2022 1 3K Report

I am struggling to perform an NBO calculation with a triple zeta basis set and get the wiberg index. Can someone please provide me some valuable inputs? Thank you.

Derek Langstieh

Thank you Ali. I had successfully did the calculations of NBO in Gaussian. I want to run the same calculations in NWChem. Please suggest.

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