Hi all,

I have problem in TS, for that I was comparing the NBO analysis (E2) of E-TS and Z-TS. The localized donor-acceptor occupancy levels and energies are all in agreement with similar calculations, plus the bond distance. I think my last step I would like to understand is how to visualize the NBO orbitals i.e, 57. LP(2) Ru1 to 194. BD*(2)O3-C4. I am using Jaguar software, and it gives .out and .molf file.

How do visual orbitals NBO Orbitals?

Thanks

Manoj Mane