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10.5 Visualizing and Plotting Orbitals, Densities, and Other Volumetric Data

10.5.1 Introduction

(July 14, 2022)

The free, open-source visualization program IQmol (www.iqmol.org) provides a graphical user interface for Q-Chem that can be used as a molecular structure builder, as a tool for local or remote submission of Q-Chem jobs, and as a visualization tool for densities and molecular orbitals. Alternatively, Q-Chem can generate orbital and density data in formats suitable for plotting with various third-party visualization programs.