Multiwfn forum / Viewing Molecular Orbitals diagram

Re: Viewing Molecular Orbitals diagram

dummy@example.com (taha55) — Sun, 05 Feb 2023 18:45:03 +0000

Dear Professor
Thank you for reply.
Best Regards

Re: Viewing Molecular Orbitals diagram

dummy@example.com (sobereva) — Sun, 05 Feb 2023 18:01:59 +0000

Easiest way:

Load .fch file into Multiwfn, enter main function 6, select option 3 to print all orbital energies on screen, then copy orbital energies from Multiwfn window to Origin, and plot a scatter map in Origin with — as symbol, and properly set size of the symbol so that the bar is long enough.

Viewing Molecular Orbitals diagram

dummy@example.com (taha55) — Sun, 05 Feb 2023 13:29:51 +0000

Dear Professor
Can we create the orbital diagram from the out file obtained with the Gaussian09 or 16 program, as in the attached figure?
Best Regards