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Cannot visualize vibration using Gaussian 16 log file

Dear all:

I am trying to use Avogadro for vibrational analysis, where my freq calculation was done using Gaussian 16. Both both Avogadro 1.2.0 and Avogadro 2, I can open the gaussian log file and see the molecular geometry and orbital information, however, when I clicked “vibration” or “spectrum”, there is nothing.

I am using macOS Cataline 10.15.6.

Thanks for your help in advance!

Environment Information

Avogadro version: 1.2.0
Operating system and version:macOS Cataline 10.15.6

Expected Behavior

Actual Behavior

Steps to Reproduce

Please upload files if appropriate here (or via file-sharing service like Dropbox or Pastebin)

Can you share the file? I don’t have Gaussian 16 – I suspect they changed the way vibrations are formatted in the output.

Thanks for the speedy reply, the Gaussian 16 log files are in this shared folder:

https://drive.google.com/drive/folders/1ewn_pw_ZYlb6VD-vXlmOsda815gV0km0?usp=sharing

The Dia6311++.log also contains the Raman scattering activities, but it is pretty much the same to a Freq output except few more lines of information along with vibrational frequencies.

1 Like

For an elder installation of Avogadro 1.2.0 in Linux Xubuntu 18.04 LTS, the two test files are read smoothly to display the (animated) IR vibrations. In the spectrum selector, though, none of the two has a dedicated entry reading Raman:

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To familiarize with the Jmol program, the project has a number of test files to check local processing. Since there is an interface with Gaussian, this public compilation equally contains a few files written for, and others written by Gaussian (including computed IR vibrations) in this subfolder. You may use these to probe if these (e.g. RK_g03 series) equally work for you in Avogadro.