Hello everyone! I’m starting in the fantastic world of computational chemistry, and I’m having trouble finding the way to visualize the orbitals generated by ORCA here in Avogadro. Could someone guide me? Thank you!! Stay well!!
It depends a bit on how you ran the ORCA calculation. If you use specific keywords (e.g., I can't see any options for creating MO - #3 by ghutchis) Printbasis PrintMOs in your input, you can just open the output file.
Otherwise, you should use the orca_2mkl file -molden to create a molden file for visualization.
Also, since we’re about to release 1.100, I’d generally suggest using a nightly build from Install — Avogadro 1.99.0 documentation