ORCA 6.1.0-gompi-2023a

ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. It features a wide variety of standard quantum chemical methods ranging from semiempirical methods to DFT to single- and multireference correlated ab initio methods. It can also treat environmental and relativistic effects.

Accessing ORCA 6.1.0-gompi-2023a

To load the module for ORCA 6.1.0-gompi-2023a please use this command on Baskerville:

📋 module load bask-apps/live
module load ORCA/6.1.0-gompi-2023a

Bask Apps Env

live

More Information

For more information visit the ORCA website.

Dependencies

This version of ORCA has a direct dependency on: gompi/2023a

Other Versions

These versions of ORCA are available on Baskerville. These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 19th January 2026