Hello psi4 users and developers,
I am trying to scan a potential energy surface for Ar + CH4 to calculate the subject parameters following the example given here https://github.com/psi4/psi4numpy/blob/master/Tutorials/01_Psi4NumPy-Basics/1b_molecule.ipynb
and the one under the psithon tutorial in the documentation but I can’t get my geometries to work. I tried several geometries but each time I get an exception
Unprocessable Molecule remanents under [psi4, xyz, xyz+, psi4+]:
How can I create such a geometry.