MOPAC

Software Summary

Mesabi

Default Module: 

2012

Other Modules Available: 

2012

Last Updated On: 

Wednesday, December 7, 2016

Itasca

Default Module: 

2012

Other Modules Available: 

2012

Last Updated On: 

Wednesday, December 7, 2016

Lab

Default Module: 

2012

Other Versions Available: 

2012

Last Updated On: 

Wednesday, December 7, 2016

Last Updated On: 

Wednesday, December 7, 2016

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

MOPAC is a general-purpose semi-empirical molecular orbital package for the study of chemical structures and reactions. MOPAC calculates vibrational spectra, thermodynamic quantities, isotopic substitution effects, and force constants for molecules, radicals, ions and polymers. It can carry these out using methods such as AM1, PM3, and PM6.

Software Documentation

Software Documentation Tabs