Adam Tenderholt

ORCA prints the translations/rotations with the vibrations---the six lowest frequencies in `dvb_ir` and `dvb_raman` are all 0---but the parser ignores the first six modes and prints a message if any...

I think part of the problem is that certain programs (e.g. Gaussian) define the format in the logfile, so we just went with the provided format which is probably the...

Also, the `C_bigbasis` files for NWChem 6.5 (`aug-cc-pCVQZ`) and Gaussian09 (`aug-cc-pVQZ`) are using different basis sets.

Just realized we don't have any multi-file examples for testing this. Can anyone run the BH3CO examples in Turbomole?

Actually, I see that `aonames` is missing from all three new parsers. I don't see a useful section for QChem (is there a keyword to print something?), but Psi4 has...

I've started work on this for the NWChem parser in #159 .

I just realized that we already have a large basis set example (C_bigbasis.out), however, we also need to handle the case where spherical basis functions are used: ``` Summary of...

What's the section in `dvb_sp_ks.out` with `Final MO vectors`? That looks like eigenvectors to me.

I think `C_bigbasis.out` needs to be re-run with `print "final vectors" "final vectors analysis"` so that there is a section like the following: ``` Final MO vectors ---------------- global array:...

I just committed [d1d259a5cd](https://github.com/ATenderholt/cclib/commit/d1d259a5cdee206e3cb45987c95958b1f3df3803) with the C_bigbasis run with spherical basis functions and the print statements.