Can XYZ files be converted back to 2D structures?

Yes, the coordinates can be projected into 2D and bonds can be inferred from interatomic distances. Bond orders, aromaticity, charge, and stereochemistry may need manual cleanup because XYZ files usually do not store them.

Which Gaussian files are supported?

This browser tool supports Gaussian input-style coordinate blocks such as .gjf and .com files. It can also extract simple Cartesian coordinate blocks from pasted text.

XYZ / Gaussian to 2D Structure Converter

Paste or upload XYZ, Gaussian input, or Cartesian coordinate text and generate an editable 2D structure canvas with inferred bonds.

Quick answer: this tool reads atom coordinates, infers likely bonds from covalent radii, projects the 3D geometry into 2D, loads the result into the embedded editor, and exports SVG, PNG, or an inferred MOL file.

Input Coordinates

Upload XYZ / Gaussian file Paste XYZ, Gaussian input, or coordinate block

Ready. Paste coordinates and convert.

Editable 2D Structure

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Static inferred SVG preview

2D structure preview appears here.

Inferred MOL block

MOL output appears here.

File Format Explained

XYZ stores atom symbols and 3D coordinates, usually without bond orders, charges, aromaticity, or stereochemistry. It is common in computational chemistry and quantum chemistry workflows.

Gaussian input files such as .gjf and .com often contain a charge/multiplicity line followed by Cartesian coordinates. This tool extracts those coordinate blocks when possible.

Because XYZ and Gaussian coordinate files usually do not store bond order, the output is a best-effort 2D structure. Use the embedded 2D canvas to fix inferred bonds before publication, docking, or downstream cheminformatics.