1. 1. Introduction
2. 2. Installation
3. 3. Molecular Name Lookup
4. 4. Structure Conversion
5. 5. XYZ File Handling
6. 6. Semiempirical Calculations with xTB
7. 7. Conformer/Rotamer Search
8. 8. Important Data Structures
9. 9. Background Information on Structure Conversion