MacMolPlt with GAMESS-US: Frequencies

[@adampak1741]

great, there is never going to be enough of GAMESS tutor vids

[@Abcs-o7j]

Please do a tutorial for energy decomposition analysis

[@irvingmarquez1106]

Thanks so much for sharing!!!

[@zeljkom.svedruzic8406]

IaNiusha
you are great. McMolPlt is a great teaching tool. It is simple, it is powerful, and it is free :-).

[@lulaymarch]

Hi. Can you recommend a topic/calculation that us quite easy for gamess aside frequencies? Thank you 🙂

[@quintonwilson8565]

Are these IR frequencies converted to "wavenumbers"? Is it showing absorption and NOT transmittance?

[@TTLDP6491]

yea, latest avogadro is not showing frequency

[@HanninZahra]

thanks dear for your efforts. I have a request can you please tell us how to do CASSCF calculations on ORCA. can GAMESS also do that?

[@jiayuerong386]

This is so helpful!!! I get it worked for GBASIS=PM3, and when I go to your method (631g) set up, it threw me errors like:
***** FAILURE TO LOCATE STATIONARY POINT, SCF HAS NOT CONVERGED UPDATED HESSIAN, GEOMETRY, AND VECTORS WILL BE PUNCHED FOR RESTART
any good tips? Thanks!

[@rohansharma6766]

How scan can be done with GAMESS?
Thank you in advance.

[@Aragmatiki]

$CONTRL KEYWORD SCFTYP WAS GIVEN AN ILLEGAL VALUE RHF do you ever had this problem ?