asSym is (for diatomic 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 the identical nuclei (P12), according to whether they are bosons or fermions respectively.
elecInv is the parity of the electronic wavefunction with respect to inversion through the molecular centre of mass in the molecular coordinate system.
elecRefl is the parity of the electronic wavefunction with respect to reflection in a plane containing the molecular symmetry axis in the molecular coordinate system (equivalent to inversion through the molecular centre of mass in the laboratory coordinate system).
ElecStateLabel is a label identifying the electronic state: X, A, a, B, etc.
F is the quantum number associated with the total angular momentum including nuclear spin: F = J + I1 if only one such coupling is resolved, F = F1 + I2 if both couplings are resolved. For identical nuclei, F = F + I, where I is the total nuclear spin angular momentum formed by coupling both spins.
F1 is the intermediate angular momentum quantum number associated with the coupling of the rotational angular momentum and nuclear spin of nucleus 1 where two such couplings are resolved: F1 = J + I1; F1 is often not a good quantum number.
I is a nuclear spin quantum number corresponding to the coupling of the nuclear spin angular momenta of two identical nuclei, I = I1 + I2.
J is the quantum number associated with the total angular momentum excluding nuclear spin, J.
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; for half-integer J, total parity is +(-1)J-1/2 for 'e' states and -(-1)J-1/2 for 'f' states.
|Λ| is the quantum number associated with the magnitude of the projection of the total electronic orbital angular momentum, L, onto the molecular axis.
N is the quantum number associated with the total angular momentum excluding electronic and nuclear spin, N: J = N + S.
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.
SpinComponentLabel is the positive integer identifying the spin-component label, Fx, where x=1,2,3,... for N = J-S, J-S+1, ..., J+S - see Herzberg, Spectra of Diatomic Molecules, Van Nostrand, Princeton, N.J., 1950.
v is the vibrational quantum number.