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II. |
| A. | Single molecule | |
| 1. | All experimental data for one molecule | |
| 2. | Types of data available for one molecule | |
| 3. | Summary of geometry data for one molecule | |
| B. | Specific experimental properties | |
| 1. | Atomization energies | |
| 2. | Vibrational frequencies ![]() | |
| 3. | Bond lengths ![]() | |
| 4. | Bond angles ![]() | |
| 5. | Rotational constants ![]() | |
| 6. | Experimental barriers to internal rotation ![]() | |
| C. | Reference data | |
| 1. | Thermodynamic reference states | |
| 2. | List of electronic spin splitting corrections | |
| 3. | List of species with experimental enthalpy of formation at 0K | |
| 4. | Suggestions for species with well-defined experimental enthalpies of formation | |
| D. | One experimental property for several species | |
| 1. | Enthalpy of formation ![]() | |
| 2. | Entropy at 298.15K ![]() | |
| 3. | Integrated Heat Capacity ![]() | |
| 4. | Heat Capacity at 298.15K ![]() | |
| 5. | Rotational Constants ![]() | |
| 6. | Vibrational Frequencies ![]() | |
| 7. | Electric dipole moment ![]() | |
| 8. | Ionization Energy ![]() | |
| 9. | Polarizability ![]() | |
| 10. | Quadrupole ![]() | |
| 11. | Point Group | |