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Article ID: 18 - Last Modified: December 14, 2011

When I perform a Jaguar calculation, I cannot find the LUMO and HOMO values. Where are they?

The HOMO and LUMO energy values are placed in the output file. You can search the output file for "LUMO" and "HOMO". The values are in hartrees.

Keywords: Jaguar, HOMO, LUMO, QM, orbital, surface

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