Avogadro v2 Tutorial: Visualizing HOMO and LUMO of Allyl cation from a Gaussian .fchk File

In this tutorial, we demonstrate how to import a Gaussian formatted checkpoint (.fchk) file of allyl cation computed at the B3LYP/6-31G* level and visualize its frontier molecular orbitals. The video covers:

• Opening Avogadro v2 and importing a Gaussian .fchk file containing the B3LYP/6-31G* calculation of allyl cation.

• Loading molecular orbital data from the .fchk file to access the HOMO and LUMO orbitals.

• Selecting specific orbitals (HOMO, LUMO, and nearby orbitals) and visualizing them using different quality.

• Rotating and zooming the molecule to examine the spatial distribution of electron density and nodal planes.

This tutorial is ideal for chemistry students and researchers interested in computational chemistry, molecular orbital analysis, and frontier orbital visualization.