Shiv Upadhyay

I agree then it would make sense to make this a parsed attribute. The steps needed to do that would be to 1. Add an [attribute](https://github.com/cclib/cclib/blob/937fdbf036b5002c47021e613077bc64902138fa/cclib/parser/data.py#L158) and [description](https://github.com/cclib/cclib/blob/937fdbf036b5002c47021e613077bc64902138fa/cclib/parser/data.py#L76) to the...

> TLDR it looks like either approach will work for us, so let me know what you prefer. Also let me know if molmass is fine as is as an...

Reopening to remind us to enable the Molpro 2018 tests

Thanks for diagnosing that. Can you update the docstring https://github.com/cclib/cclib/blob/592a8710704e97a1e17179d6f2d27cc5076bab9a/cclib/parser/data.py#L90 and https://github.com/cclib/cclib/blob/master/doc/sphinx/data_notes.rst This is ready to go following that

I think that would work.

Ok to be honest, I was going to paste this table. I don't even fully understand it; is the second number in the parentheses the order to which the spin...

That would work. Also I think to be consistent we should parse the unprojected S**2 @berquist Most other codes besides gaussian prints this. You mentioned QChem and psi4, and gamess...

> It looks like the output file from the calculation I ran is just...missing a huge chunk in the middle (all of SCF) and gets cut off in a weird...

We don't currently write out frequency and displacement vectors. Specifically from the tags here which ones would you need from `FREQ FR-COORD FR-NORM-COORD INT` https://www3.cmbi.umcn.nl/molden/molden_format.html If these are parsed by...

Hi Thanks. We might be able to fix this in #985