
orb2fchk
********
Converts orb files to gaussian fchk files.
The following table contains the defaults input options for the calculator, The default `OPTIONAL` means this option is switched off, if no input is given. 
`REQUIRED` arguments have to be specified, otherwise an error is thrown.

.. list-table::
   :header-rows: 1
   :widths: 30 20 15 15
   :align: center

   * - Property Name
     - Default Value
     - Description
     - Valid Input
   * - job_name
     - system
     - | Input file name without extension, also used for intermediate
       | files
     - 
   * - qmstate
     - n
     - QMstate in string format, e.g. n, s4 etc.
     - 
   * - diff2gs
     - false
     - For excited states output difference to groundstate
     - bool
.. note::
   An *xml* file containing the defaults for the `orb2fchk` calculator can be created via `-p orb2fchk -o FILENAME` command line options `
