I'm working on a project to create a large open repository of quantum calculations, largely for teaching purposes.
I can get thousands of common organic compounds easily from sources like PubChem or drug databases.
I'm looking for sources for teaching or other uses with VSEPR examples or other types of inorganic and organometallic molecules. Ideally I'd want 100s or 1000s with good coverage of the periodic table.
To be clear, there are lots of databases of solids. I know most of those, although feel free to suggest some for archival. I really want isolated complex ions, molecules, etc.
I don't think there are many, since I haven't turned anything up besides the Cambridge database, which is restrictive about reuse.