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The Fourier transform Microwave data were taken from
(1) T. Gur, P. B. Changala, J. H. Baraban, M. C. McCarthy,
2025, J. Phys. Chem. A 129, 11531.
Hyperfine structure (HFS) splitting caused by the 1H nucleus
may be resolvable for low N transitions. Therefore, a
separate hyperfine calculation is provided for
J ≤ 7 below 14 GHz and with
somewhat lowered intensity cut-offs.
NOTE: The partition function
takes into account the spin multiplicity of the
1H nucleus !
The calculated transition frequencies should be quite reliable
up to about 70 GHz.
The dipole moment was taken from a quantum chemical
calculation in (1).
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