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 isotopomers).

Settings

nNucleiNumber of nuclei to calculate hyperfine structure for.
JminMinimum J to use in calculation - set to -1 (default) to use value from the species.
JmaxMaximum J to use in calculation - set to -1 (default) to use value from the species.
ColourColour - set to "None" to take value from elsewhere.
PointGroupPoint group - C1, Ci, C2, Cs, D2, C2v, C2h or D2h
RepresentationRepresentation - Ir, IIr, IIIr, Il, IIl or IIIl
SReductionUse Watson's S reduction (as opposed to A).
eeWtStatistical weight for ee levels
eoWtStatistical weight for eo levels
oeWtStatistical weight for oe levels
ooWtStatistical weight for oo levels
C2zAxisa, b, or c; C2 axis in C2v; out of plane axis in Cs
C2xAxisa, b, or c; out of plane axis in C2v
PseudoC2vIgnore any operators breaking C2v symmetry.
FakeSymTurn off transition moment test.

Parameters

AbundanceAbundance of this isotope; default is 1