ORCA-Basis-Sets

This example is for getting the 6-31G* basis set on a bromine atom in ORCA. The keyword is not available for these atoms.

There will be a series of files:

1. Typical input for a B3LYP 6-31G* energy calculation
2. Error recieved from typical input
3. 6-31G* basis set from BSE (https://www.basissetexchange.org/)
4. Corrected basis set format for ORCA
5. Corrected input file

There are also two additional files for using the same basis set, but via an external file

1. The external file: 6-31G*_Br
2. The sample input: Sample_Input_External