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Draw & Edit Molecule

Introduction

Briefly explain that nearly every Gaussian calculation begins by constructing a molecular structure in GaussView.


GaussView Interface

Figure 1. Main GaussView interface highlighting the most frequently used drawing and editing tools.

**Video 1.** Demonstration of the GaussView drawing and editing toolbar.

Mouse Controls

Action Mouse
Rotate Left Click + Drag
Translate Right Click + Drag
Zoom Mouse Wheel

Drawing Atoms

Explain atom selection and placement.


Drawing Bonds

Single, double, triple, aromatic bonds.


Editing Atoms

  • Change element
  • Replace atom
  • Delete atom

Editing Bonds

  • Bond order
  • Delete bond

Rings and Fragments

Explain how predefined fragments accelerate molecule building.


Clean Structure

Describe automatic geometry cleanup.


Measuring Molecular Geometry

  • Bond length
  • Bond angle
  • Dihedral angle

Saving the Molecule

  • .gjf
  • .com
  • .mol
  • .xyz