mol2orb ******* Converts molden files to orb 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 - * - basisset - def2-tzvp - Basis set for MOs - * - auxbasisset - aux-def2-tzvp - Auxiliary basis set for RI - .. note:: An *xml* file containing the defaults for the `mol2orb` calculator can be created via `-p mol2orb -o FILENAME` command line options `