Asymmetric Top Molecule

These are the settings for an asymmetric 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 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.
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
eoWt Statistical weight for eo levels
oeWt Statistical weight for oe levels
ooWt Statistical weight for oo levels
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

Parameters

Abundance Abundance of this isotope; default is 1