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Thermochemistry with Avogadro


#1

Hi everybody,
I am Pier, I am a Ph.D. student in Computational Chemistry, hope you all are doing well!
I have a problem with Avogadro when opening Gaussian Thermochemistry outputs. While they work perfectly with other programs as Molden, I can’t open the file, and I get the following
"Reading molecular file failed, file namefile"
I am using Gaussian16. Can you help me somehow? Did anybody else have the same issue?
Thanks!


#2

Can you post a link to a file?


#3

Thank you for your answer! I’ll share my personal Dropbox, I uploaded also a screenshot of the error I get. Interestingly, the error is the same on both Mac and Linux.

Thanks for your help!


#4

Whoops, I forgot the link for the screenshot, I am sorry. Here it is!


#5

I can reproduce the problem (it’s with Open Babel parsing the file) but haven’t had time to fix.

I’ll bookmark and let you know when I have a build for you to try.


#6

Hi Geoff,
Sorry for my late answer. Thank you for your help, I really appreciate it!
Thank you, have a great day!