Gaussian Input File Generator from XYZ

Instructions:

This tool helps you generate Gaussian input files (.gjf) from XYZ coordinate files. Follow these steps:

• Select a directory containing subfolders with your XYZ files
• Choose a template GJF file with your calculation parameters (see examples)
• Specify the common filename for the generated GJF files
• Process the directories and then save the generated files

Note: Each subdirectory should contain exactly one XYZ file to be processed. If the XYZ file contains multiple structures, only the first one will be used. Please avoid including connectivity tables or specific file paths (e.g., in %chk command) in the template GJF file, as these will remain unchanged in the generated GJF files.