Psi3: add regression with D orbitals and test it (file from Axel Schild)

The test file was kindly provided by Axel Schild and broke our Psi parser. Here is the fix. Of course, the Psi parser is not perfect (especially for Psi3, which is an old version of Psi4) and we do not want to put too much effort into it. But at least it should not break the parser.