Nuclear Hyperfine Structure in Asymmetric Tops

If the parent molecule has nNuclei non zero, then each state will have nNuclei of the items listed below (TAsymmetricTopNucleus). The following coupling scheme is normally used:
though at alternative scheme must be used for equivalent nuclei, as described under the AsNext setting. Note that any explicitly simulated nucleus should not be included in calculating the statistical weights.

Settings

Note that these two should be set at the molecule level, but are in fact implemented at the state level, with any change in these two properties copied to all the states in the molecule.

Spin

Nuclear spin. (Note that this setting should logically be at the molecule, rather than the state level. Changing a spin here will change the corresponding spins in any other states.)

AsNext

Set to indicate that this nucleus is equivalent to the following nucleus. This is required for molecules with a centre of symmetry, where nuclei not on the centre of symmetry must occur as equivalent pairs. In these circumstances all parameters are taken from the second of the two nuclei, and the modified coupling scheme: I12 = I1 + I2; F = J + I12 is used. This setting can also be used for molecules without a centre of symmetry, in which case the alternate coupling scheme is used but the nuclei are not forced, or even required to be identical. Note that equivalent nuclei are currently only partially implemented for asymmetric tops.

Parameters

aF	Nuclear spin - electron spin Fermi Contact interaction (I.S).
Tzz	Tzz = -(Txx+Tyy) component of Nuclear spin - electron spin dipole dipole interaction.
Txxmyy	Txx-Tyy component of Nuclear spin - electron spin dipole dipole interaction.
Tab	ab component of Nuclear spin - electron spin dipole dipole interaction.
Tac	ac component of Nuclear spin - electron spin dipole dipole interaction.
Tbc	bc component of Nuclear spin - electron spin dipole dipole interaction.
CHIzz	zz component of Nuclear Quadrupole interaction.
CHIxxmyy	xx-yy component of Nuclear Quadrupole interaction.
CHIab	ab component of Nuclear Quadrupole interaction.
CHIac	ac component of Nuclear Quadrupole interaction.
CHIbc	bc component of Nuclear Quadrupole interaction.
Caa	aa component of Nuclear Spin - Rotation interaction.
Cbb	bb component of Nuclear Spin - Rotation interaction.
Ccc	cc component of Nuclear Spin - Rotation interaction.