ORCA tutorials - Compatible with ORCA 5.0!#
Here you will find tutorials on how to perform calculations using ORCA. These are aimed for new users and people who want to get introduced into basic molecular modeling.
For more detailed documentation, please go to the documentation section and for specific hints, go for the tricks and tips section.
These tutorials are divided in four main topics:
First steps#
Some very basic information. If you never used ORCA before, maybe it is best to start here, otherwise you can just skip and go to the next sections.
How to start? Installing ORCA | Hello water! Your first ORCA calculation
Dealing with files? Input and Output
Want to go faster? Running a calculation in parallel
Help with visualizing? Using Avogadro as a GUI
Problems? Solving common issues
Properties
Reactivity
Spectroscopy