# How to calculate/plot molecular orbitals with XTB?

I started playing with the XTB program (XTB is developed by Prof. Grimme group's, is based on tight binding and uses the GFN force field).

Question: How can I calculate/plot the molecular orbitals? I just found the inputs needed to calculate but not how to export in order to plot.

I think the --molden flag should give you a molden file with the orbitals.

• As far as I know from the Grimme group, this is the recommended answer at the moment. Feb 10 at 3:39