How can I compute rotational energy levels for C60 and C70 fullerene molecules using Gaussian?

28 January 2020 1 3K Report

I have Gaussian 16 for LInux version C 0.1. I am using it under OPENSuse Leap 15.1. I would like to compute rotational energy levels for the C60 and C70 fullerene molecules. Is Gaussian 16 appropriate for this task? If so could you send me an example imput file for C60?

Laszlo Nemes

Thanks a lot, I have the latest Gaussian 16 version for 32 bit PC running OpenSUSE Leap 15.1. I will check whether the kernel has been updated.

So far I have not tried my Gaussian under OpenSUSE Leap but when I will I will turn to you again if you do not object.

Actually I am not so much interested in whether Gaussian runs under this Linux flavor( I hope it does, this is what Gaussian Inc. says) but whether gaussian is able to computer rotational energies for fullerenes. If you have some experience in this or could recommend somebody please, do so.

Best regards

László from Budapest

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