Can't see frequencies from ORCA 5.0.4 outfile (avogadro 1.2.0)

[JDoe]

I recently downloaded Avogadro and wanted to visualise some frequencies by loading in the output file of my calculation in ORCA 5.0.4. What I saw in tutorials suggested that just dragging and dropping the file in the viewport will automatically open up a panel with the frequencies selectable. But all it does for me is to show me the molecule from my job.

This is all I see:

I’ve turned on the toolbar for vibrations manually and the one for orbitals but I don’t see anything that isn’t greyed out.

There are definitely vibrational frequencies in the outfile. I even used LARGEPRINT in the ORCA input.

-----------------------
VIBRATIONAL FREQUENCIES
-----------------------

Scaling factor for frequencies =  1.000000000  (already applied!)

   0:         0.00 cm**-1
   1:         0.00 cm**-1
   2:         0.00 cm**-1
   3:         0.00 cm**-1
   4:         0.00 cm**-1
   5:         0.00 cm**-1
   6:        12.10 cm**-1
   7:        18.79 cm**-1
   8:        32.78 cm**-1
   9:        43.02 cm**-1
  10:        58.65 cm**-1
  11:        71.30 cm**-1
  12:       101.48 cm**-1

Environment Information

Avogadro version: 1.2.0
Lib: 1.2.0
Obabel: 2.3.90
Qt: 4.8.6
Operating system and version: Windows 11

Files: avoadro freqs

[ghutchis]

Yep. Avogadro 1.2 doesn’t support vibrations from Orca 5 … they changed the format of the Orca output.

I’d suggest trying out the latest release of the Avo2 betas: Release Avogadro 1.98.1 · OpenChemistry/avogadrolibs · GitHub

These also support directly reading Orca files (and do support Orca 5 vibrations).