.. Generated by tools/update_cli_reference.py; do not edit.

.. code-block:: text

   surfacia xyz2gaussian



   options:
     -h, --help
       show this help message and exit
     --keywords KEYWORDS
       Gaussian calculation keywords
     --charge CHARGE
       Molecular charge (default: 0)
     --multiplicity MULTIPLICITY
       Spin multiplicity (default: 1)
     --nproc NPROC
       Number of processors (default: 32)
     --memory MEMORY
       Memory allocation (default: 30GB)

   Examples:
     # Generate Gaussian inputs with default DFT settings
     surfacia xyz2gaussian

     # Use custom method and basis set
     surfacia xyz2gaussian --keywords "# B3LYP/6-31G* opt freq"

     # Set molecular charge and multiplicity
     surfacia xyz2gaussian --charge -1 --multiplicity 2

     # Use more processors and memory
     surfacia xyz2gaussian --nproc 64 --memory 50GB
