ORCA

Software Summary

Mesabi

Default Module: 

3.0.3

Other Modules Available: 

3.0.0, 3.0.1, 3.0.3, 4.0.0

Last Updated On: 

Tuesday, March 21, 2017

Itasca

Default Module: 

3.0.3

Other Modules Available: 

3.0.0, 3.0.1, 3.0.3, 4.0.0

Last Updated On: 

Tuesday, March 21, 2017

Lab

Default Module: 
Other Versions Available: 
Last Updated On: 
Last Updated On: 

Tuesday, March 21, 2017

Support Level: 
Secondary Support
Software Access Level: 
Open Access
Software Categories: 
Electronic Structure
Software Description
Software Description: 

ORCA is a quantum chemistry tool 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 correlated ab initio methods. It can also treat environmental and relativistic effects.

Software Documentation

Software Documentation Tabs