I am trying to run a g09 calculation for a D5h symmetric molecule using the HF/LANL2DZ level of theory. The molecule is pentagonal planar in geometry, and I would like to visualize the canonical orbitals and the basis functions used to generate the canonical orbitals.
I have gotten the calculation to converge easily, however I would like to have a visualization of the basis functions to reflect the D5h symmetry of the structure.
Is it possible to run the calculation such that the py basis functions of the terminal atoms in the pentagonal planar geometry point towards the center of the molecule? If so, what should I add to the route section of my gaussian input file?
Any help is appreciated!