- 's' or 'a'
- string
`group`: the symmetry group to which this species belongs- string
`nuclearSpinRef`: a label identifying the nuclear spin coupled to,*J*, or*F*_{1}to form the total angular momentum*F*_{2}- non-negative integer or half-integer
- |
*F*-_{2}*I*| ≤_{3}*F*≤*F*+_{2}*I*_{3} `nuclearSpinRef`: a label identifying the nuclear spin coupled toto form the intermediate coupled angular momentum quantum number,*J**F*_{1}- non-negative integer or half-integer
- |
*J*-*I*| ≤_{1}*F*≤_{1}*J*+*I*_{1} `nuclearSpinRef`: a label identifying the nuclear spin coupled toto form the intermediate angular momentum*F*_{1}- non-negative integer or half-integer
- |
*F*-_{1}*I*| ≤_{2}*F*≤_{2}*F*+_{1}*I*_{2} `nuclearSpinRef`: a whitespace delimited list of labels identifying the nuclear spins coupled to form*I*`id`: a label identifying the nuclear spin angular momentum,, formed by this coupling*I*- non-negative integer or half-integer
- non-negative integer
- non-negative integer
*K*≤_{a}*N**K*+_{a}*K*=_{c}*N*or*N*+ 1- non-negative integer
*K*≤_{c}*N**K*+_{a}*K*=_{c}*N*or*N*+ 1- 'e' or 'f'
- non-negative integer
- '+' or '-'
- positive integer
- non-negative integer or half-odd integer
- non-negative integer
- non-negative integer
- non-negative integer

`asSym` is (for molecules with a centre of inversion) the symmetry of the rovibronic wavefunction: 'a' or 's' such that the total wavefunction including nuclear spin is symmetric or antisymmetric with respect to permutation of identical nuclei (*P _{12}*), according to whether they are bosons or fermions respectively.

`ElecStateLabel` is a label identifying the electronic state: *X*, *A*, *a*, *B*, etc.

`elecSym` is the symmetry species of the electronic wavefunction described by some symmetry group.

*F* is the quantum number associated with the total angular momentum including nuclear spin: ** F** =

*F _{1}* is the intermediate angular momentum quantum number associated with the coupling of the rotational angular momentum and nuclear spin of nucleus 1 where two or three such couplings are resolved:

*F _{2}* is the intermediate angular momentum quantum number associated with the coupling of the rotational angular momentum and nuclear spin of nucleus 2 where three such couplings are resolved:

*I* is a nuclear spin quantum number corresponding to the coupling of the nuclear spin angular momenta of two or more identical nuclei, * I* =

*J* is the quantum number associated with the total angular momentum excluding nuclear spin, ** J**.

*K _{a}* is the rotational quantum label of an asymmetric top molecule, correlating to

*K _{c}* is the rotational quantum label of an asymmetric top molecule, correlating to

`kronigParity` is the 'rotationless' parity: the parity of the total molecular wavefunction excluding nuclear spin and rotation with respect to inversion through the molecular centre of mass of all particles' coordinates in the laboratory coordinate system. For integer *J*, total parity is +(-1)^{J} for 'e' states and -(-1)^{J} for 'f' states.

*N* is the quantum number associated with the total angular momentum excluding electronic and nuclear spin, **N**: ** J** =

`parity` is the total parity: the parity of the total molecular wavefunction (excluding nuclear spin) with respect to inversion through the molecular centre of mass of all particles' coordinates in the laboratory coordinate system, the *E ^{*}* operation.

*r* is a named, positive integer label identifying the state if no other good quantum numbers or symmetries are known.

*S* is the quantum number associated with the total electronic spin angular momentum, ** S**.

*v _{1}* is the vibrational quantum number associated with the ν

*v _{2}* is the vibrational quantum number associated with the ν

*v _{3}* is the vibrational quantum number associated with the ν