I performed a Gaussian calculation and get the data of NATURAL LOCALIZED MOLECULAR ORBITAL (NLMO) ANALYSIS.
I'm wondering if it would be possible to get the sum of the contribution of ''Pi NLMO'' to each Cartesian NMR shielding tensor.
I am not sure, but watching this video may help you get a vision
https://www.youtube.com/watch?v=8rtpCgMm4cE
hello, using IOP's can be helpful.
https://gaussian.com/iops/
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