| 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 the species. |
| Jmax |
Maximum J to use in calculation - set to -1 (default) to use
value from the species. |
| Colour |
Colour - set to "None" to take value from elsewhere as
explained in Determining Colours and J ranges. |
| PointGroup |
Point group - C1, Ci, C2, Cs,
D2, C2v, C2h or D2h |
| Representation |
Representation - Ir, IIr, IIIr, Il, IIl or IIIl |
| SReduction |
Use Watson's S reduction (as opposed to A). |
| eeWt |
Statistical weight for ee levels for totally symmetric
vibronic states. The weights will be permuted appropriately for
vibronic states of other symmetry.
|
| eoWt |
Statistical weight for eo levels for totally symmetric
vibronic states. |
| oeWt |
Statistical weight for oe levels for totally symmetric
vibronic states. |
| ooWt |
Statistical weight for oo levels for totally symmetric
vibronic states. |
| C2zAxis |
a, b, or c; C2 axis in C2v; out of plane axis in Cs - see Axis systems and symmetries for asymmetric tops
|
| C2xAxis |
a, b, or c; out of plane axis in C2v |
| PseudoC2v |
Ignore any operators breaking C2v symmetry - see Pseudo C2v Symmetry
|
| FakeSym |
Turn off transition moment test - see the discussion in Pseudo C2v Symmetry |
Molecule Types Asymmetric Tops