Molecule Types Symmetric Tops <Prev Next>

Symmetric Top Molecule

These are the settings for a symmetric molecule as a whole, i.e. those common to all states (but perhaps different for different isotopologues).

Settings

nNuclei Number of nuclei to calculate hyperfine structure for. Leave this at 0 unless you want the hyperfine structure resolved.
Jmin Minimum J to use in calculation - set to -1 (default) to use value from species.
Jmax Maximum J to use in calculation - set to -1 (default) to use value from species.
Colour Colour - set to "None" to take value from elsewhere as explained in Determining Colours and J ranges.
PointGroup Point group of molecule. Possible values are:
C3v, C4v, C5v, C6v, C7v, C8v, D3h, D4h, D5h, D6h, D7h, D8h, D2d, D3d, D4d, D5d, D6d, D7d, D8d.
C3h is also partially implemented.
Wt0
Wt1
...
Statistical Weights for each possible rovibronic symmetry. The number of settings here depends on the point group set as above, with one setting per rovibronic symmetry.

Parameters

Abundance Abundance of this isotope; default is 1