UT theoretical chemistry code forum

Posted: **Fri Apr 21, 2023 2:19 am**

Hello,

Any further explorations would be appreciated.

Thanks

Posted: **Fri Apr 21, 2023 2:28 am**

I can't make any sense of just a list of frequencies. If you tar.gz the calculation, I might be able to say something useful.

Questions about DynMat calculation of gas-phase methanol