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Transition frequencies were taken from
(1) L. Bonah, J.-C. Guillemin, A. Belloche, S. Thorwirth,
H. S. P. Müller, and S. Schlemmer,
2025, ACS Earth Space Chem. 9, 864.
A small number of microwave transitions came from
(2) R. A. Creswell, P. J. Manor, R. A. Assink, and R. H. Schwendeman,
1977, J. Mol. Spectrosc. 64, 365.
The entry is based on the supplementary files of (1).
The calculation was truncated at J = 50,
Ka = 15 for a-type transitions,
Ka = 2 for b- and c-type transitions,
and at 200 GHz. Caution is advised for data with higher
J or with relatively higher Ka.
The partition function values below refer to the ground
vibrational state only.
Vibrational correction factors can be derived for
the main isotopolog in the harmonic approximation.
The ground state dipole moment components were determined
in (2); the c-component was taken from (1).
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