ORCA Vibrational Frequencies Calculation of Water with ChemCraft Visualisation

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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: https://orcaforum.kofo.mpg.de
ORCA Input Library: https://sites.google.com/site/orcainp...
ChemCraft: http://chemcraftprog.com/help.html

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