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Thank you. This was helpful.
Hello all,
I am gettting started with ORCA and using Multiwfn for data anaysis.
My goal is to calculate natural molecular orbitals (UNO) using ORCA and use Multiwfn for Lowdin population analysis for the contribution of each atom to a given nataural orbital.
A single point calculaton on a pre-optimized structure gave the .gbw, .uno, .qro files. I cannot read the .uno file which contain the natural orbitals.
Please, how can I convert this file to a Multiwfn compactible format for my analyses.
Helpful siggestions are highly welcomed. Thank you.
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