ORCA is an ab initio, DFT, and semi-empirical SCF-MO package developed by Frank Neese et al. at the Max Planck Institut für Kohlenforschung.
The ORCA Input Library contains a collection of ORCA input that show you how to easily do various tasks using the many methods and approximations in the ORCA quantum chemistry code.
The ORCA Input Library is NOT the ORCA manual and has nothing to do with the ORCA project
ORCA version 6.0 has been released, a major change for the ORCA project
There is now an online ORCA manual for version 6
and
ORCA 6.0 Tutorials
There are no immediate plans to update the ORCA Input Library for version 6 compatibility since the maintainer has no time.
If you are interested in helping to update the website, contact RB.
Any problems that occur when running ORCA calculations should be submitted to the ORCA Forum. The ORCA Forum is an interactive forum where users can post questions and report bugs. The ORCA Forum is run directly by members of the ORCA team.
Questions and comments regarding this site may be directed to Ragnar Bjornsson. E-mail