Molecule Types Symmetric Tops | <Prev Next> |
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. |
Abundance | Abundance of this isotope; default is 1 |