ERROR: The total intensity calculated using the analytic sum rules is null.

joaojp · 发表于 Post on 2022-11-18 19:47:24

Hello everyone

I am calculate the vibrational modes in gaussian 16. But I finding the following error:

----------------------------------------------
   ==================================================
            Calculations of Band Intensities
   ==================================================
ERROR: The total intensity calculated using the analytic sum rules is
null.

----------------------------------------------
Someone solve this error?

wzkchem5 · 发表于 Post on 2022-11-18 20:05:16

Did Gaussian terminate after outputting this? Besides, could you upload the full output file?

joaojp · 发表于 Post on 2022-11-18 20:14:24

本帖最后由 joaojp 于 2022-11-18 20:58 编辑

sim, o gaussiano termina após este erro. No anexo deste arquivo de saída

joaojp · 发表于 Post on 2022-11-18 20:57:26

wzkchem5 发表于 2022-11-18 20:05
Did Gaussian terminate after outputting this? Besides, could you upload the full output file?

Sorry, but I can′t anexo the output file

wzkchem5 · 发表于 Post on 2022-11-18 21:18:06

joaojp 发表于 2022-11-18 13:57
Sorry, but I can′t anexo the output file

You can upload the file to e.g. Google Drive and post a link here. Or alternatively you can post the last few hundreds of lines of the output file.

joaojp · 发表于 Post on 2022-11-19 18:55:01

wzkchem5 发表于 2022-11-18 21:18
You can upload the file to e.g. Google Drive and post a link here. Or alternatively you can post t ...

https://drive.google.com/file/d/ ... view?usp=share_link

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[Gaussian/gview] ERROR: The total intensity calculated using the analytic sum rules is null.

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