Visualization Tutorials

Written by
Jeremy Beck and Rachel Fogle
York College of PA

How can I visualize Gaussian Output?

The information calculated in Gaussian jobs can be viewed by several commonly available software packages.  GaussView has the capability to visualize these properties, but if you do not have it at your disposal, there are several other methods you may use to display the properties Gaussian has calculated.  Listed below are a few of the properties Gaussian can compute.  Please select the visualization category you wish to view.

        Structures

        Molecular Orbitals

        Electrostatic Potential

        Difference Densities

        Vibrational Frequencies

        NMR Shielding Tensors

        Reaction Pathways

 

Alternatively, you can view tutorials depending on the software packages that are available to you. Please select a program from the list below to view several visualization examples for that commonly available software package.

        GaussView

        CAChe (Scigress Explorer)

        MOLEKEL

        PCModel

        gOpenMol

        HyperChem

        Chem3D

        T3D


 

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