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Article ID: 1205 - Last Modified: June 3, 2011

How can I visualize molecular orbitals from Jaguar?

You can plot orbitals and other kinds of surfaces such as density, electrostatic potential surfaces, in Maestro. When you set up a Jaguar job in Maestro, select Surfaces in the Properties tab, then select Molecular orbitals. The first orbital is automatically displayed when the job results are incorporated into the project. The Jaguar Quick Start Guide contains an example of plotting orbitals.

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