Change to turbomole coordinate format output

I remember struggling with similar issues before, e.g. here I describe how xtb always returns a turbomole file that uses bohr. I posted [an issue]((Allow .tmol or .coord in angstrom · Issue #915 · grimme-lab/xtb · GitHub) for that on the Grimme GH and it was later fixed, but it shows how the tendency is to default to bohr.

The fact that angs is explicitly required to indicate angstrom, but the unit is assumed to be bohr if nothing is specified, further indicates that bohr is the default from the point of view of turbomole.

I haven’t tested CREST myself, but I can well believe it’s hard-coded to accept only coordinates in bohr given that its documentation states that turbomole coord format means bohr (straight-up ignoring the angstrom option).

Might be a good time as well to note that Avogadro confusingly offers two very similar options in the file save/open dialog for turbomole files: “TurboMole Coordinate format” and “Turbomole”. To make that even more confusing, both seem to output the same? I wonder if maybe one was meant to just be a $coord block and the other should include other things too? I don’t know though – frequencies at least don’t seem to be written in either case.