ORCA Vibrational Frequencies Calculation of Water with ChemCraft Visualisation

In this tutorial the how to perform vibrational frequency calculations with ORCA 5.0 and compare how methods and basis sets can have a large difference in frequency accuracy in a Windows 11 Pro environment.
Vibrational frequencies are written using input file lines from ORCA Input Library and visualised using ChemCraft.
ORCA: orcaforum.kofo...
ORCA Input Library: sites.google.c...
ChemCraft: chemcraftprog.c...

[@israelekoro8617]

Good video 👍
Can I use the B3LYP functional together with the RIJCOSX?

[@profadam]

Thank you for your question. RIJCOSX is usually for hybrid functionals. You can try to use NORI for B3LYP.