## XII. |

- Experimental Data
- Experimental geometry data for a given species.
- Experimental internal coordinates by type.
- Experimental bond lengths.
- Experimental bond angles.
- Calculated Data
- Calculated geometries.
- Calculated rotational constants
- Calculated moments of inertia
- Products of moments of inertia
- Basis Set Extrapolations for bond length
- Just show me a calculated geometry
- Comparisons
- Compare bonds, angles, or dihedrals for a given molecule.
- Compare rotational constants for a given molecule.
- Compare Point Groups
- Compare products of moments of inertia.
- Bad Calculations
- Tutorials and Explanations

Please send comments to

email: cccbdb@nist.gov