Asymmetric Top State

This allows setting rotational constants and other values specific to each state in the molecule.

Settings

ColourColour - set to "None" to take value from elsewhere.
SSpin
SymmetrySymmetry
KminMinimum |K| to use; -1 (default) for no lower limit.
KmaxMaximum |K| to use; -1 (default) for no upper limit.

Parameters

OriginState Origin.
WidthLinewidth (rotation independent) for state.
AA rotational constant
BB rotational constant
CC rotational constant
BBarAverage of rotational constants perpendicular to K axis - Alternate form for rotational constants
BDeltaDifference between rotational constants perpendicular to K axis - Alternate form for rotational constants
DKK^4 Quartic Centrifugal Distortion
DJKJ(J+1)K^2 Quartic Centrifugal Distortion
DJJ^2(J+1)^2 Quartic Centrifugal Distortion
deltaKdeltaK - A/S reduction dependent off diagonal Quartic Centrifugal Distortion
deltaJdeltaJ - A/S reduction dependent off diagonal Quartic Centrifugal Distortion
HKK^6 Sextic Centrifugal Distortion
HKJJ(J+1)K^4 Sextic Centrifugal Distortion
HJKJ^2(J+1)^2K^2 Sextic Centrifugal Distortion
HJJ^3(J+1)^3 Sextic Centrifugal Distortion
phiKphiK - A/S reduction dependent off diagonal Sextic Centrifugal Distortion
phiJKphiJK - A/S reduction dependent off diagonal Sextic Centrifugal Distortion
phiJphiJ - A/S reduction dependent off diagonal Sextic Centrifugal Distortion
LKK^8 Octic Centrifugal Distortion
LKKJJ(J+1)K^6 Octic Centrifugal Distortion
LJKJ^2(J+1)^2K^4 Octic Centrifugal Distortion
LJJKJ^3(J+1)^3K^2 Octic Centrifugal Distortion
LJJ^4(J+1)^4 Octic Centrifugal Distortion
llKllK - A/S reduction dependent off diagonal Octic Centrifugal Distortion
llKJllKJ - A/S reduction dependent off diagonal Octic Centrifugal Distortion
llJKllJK - A/S reduction dependent off diagonal Octic Centrifugal Distortion
llJllJ - A/S reduction dependent off diagonal Octic Centrifugal Distortion
eaaaa spin-rotation Parameter
ebbbb spin-rotation Parameter
ecccc spin-rotation Parameter
eabbar(eab + eba)/2
eacbar(eac + eca)/2
ebcbar(ebc + ebc)/2
DsN(DeltasN in A reduction) quartic spin rotation parameter
DsNK(DeltasNK in A reduction) quartic spin rotation parameter
DsKN(DeltasKN in A reduction) quartic spin rotation parameter
DsK(DeltasK in A reduction) quartic spin rotation parameter
ds1(deltasN in A reduction) quartic spin rotation parameter
ds2(deltasK in A reduction) quartic spin rotation parameter
alphaDiagonal spin-spin coupling constant (=D/3)
betaOff-Diagonal spin-spin coupling constant (=E)
wKamultiplier of <Ja2> for linewidth
wKbmultiplier of <Jb2> for linewidth
wKcmultiplier of <Jc2> for linewidth
wBarmultiplier of <J(J+1)-K2> for linewidth
wDeltamultiplier of <J+2+J_2>/4 for linewidth