Extract text from Gaussian job files (GJF)
To convert GJF job files to another format, you need Gaussian or other Data software.
To convert other file formats to the "Computational Chemistry Input" file type, you need software like Gaussian or a similar tool.
The .GJF file is a plain-text input script used by Gaussian, a major computational chemistry application. It contains the molecular geometry (Cartesian coordinates or Z-matrix), basis sets, charge, multiplicity, and job control keywords required to execute complex quantum mechanical simulations. You can read more about the computational engine on Wikipedia's Gaussian (software) page.
Working with .GJF files presents several real-world challenges. The format relies on rigid, unforgiving syntax. A single missing blank line or incorrect space at the end of the file will crash a calculation. Furthermore, visualizing the 3D molecular structure normally requires GaussView, which is a proprietary and expensive commercial tool. Opening the file in a standard text editor only shows walls of coordinate numbers, making it difficult for non-chemists or reviewers to understand the geometry.
To make the molecular data accessible, you should convert the file. For 3D visualization in free open-source tools or web browsers, convert .GJF to XYZ or MOL. If you need to extract the raw coordinate data for mathematical analysis or reporting, convert to CSV or TXT.
Convert.Guru analyzes your GJF file, detects the exact format, and lets you read the text inside.
Users also converted FCHK and CYI files.
If you want to convert GJF file to , you can use Gaussian or similar software from the "Quantum chemistry calculation input" category. In the File menu, look for Save As… or Export….
To convert files to GJF, try Gaussian or another comparable tool in the "Quantum chemistry calculation input" category.
The history of Convert.Guru began over 25 years ago in California with Tom Simondi’s file-format database. A former contributor to Space Shuttle development and a software pioneer of the 1980s, Simondi established a trusted resource for file type analysis that was even referenced by Microsoft Windows XP. Today, we use modern technology to process and convert thousands of file formats while continually improving our GJF converter.