The analysis and the majority of the transition frequencies were published by
(1) H. S. P. Müller, J. K. Jørgensen, J.-C. Guillemin, F. Lewen, and S. Schlemmer, 2023, Mon. Not. R. Astron. Soc. 518, 185.
We also included microwave transition frequencies from
(2) C. Hirose, 1974, Bull. Chem. Soc. Japan 47, 1311;
and millimeter and far-infrared transition frequencies from
(3) S. Albert, Z. Chen, K. Keppler, P. Lerch, M. Quack, V. Schurig, and O. Trapp, 2019, Phys. Chem. Chem. Phys. 21, 3669.
Uncertainties from previous publications were thoroughly evaluated in (1). Uncertainties in (2) were taken as 50 kHz in keeping with previous studies. The millimeter transition frequencies from (3) were stated to be better than 200 kHz; we found 5 kHz to be appropriate. The far-infrared data required a small recalibration and were used with 0.00008 cm^–1 uncertainty. Only millimeter frequencies from (3) and the present frequencies were merged.
The calculation should be sufficient for all observational purposes. Calculated frequencies with uncertainties exceeding 0.1 MHz should be viewed with some caution.
The molecule is chiral, and there are no non-trivial spin-statistics, in contrast to the main isotopolog.
The partition function takes into account the ground vibrational state only because the molecule resides in somewhat colder regions. Excited vibrational states are quite high; their effect is still modest at room temperature.
The dipole moment was derived in (1) from that of the main isotopolog published by
(4) G. L. Cunningham Jr., A. W. Boyd, R. J. Myers, W. D. Gwinn, and W. I. Le Van, 1951, J. Chem. Phys. 19, 676 ;
with its value slightly increased by 0.02 D due to an updated reference value for OCS as outlined in
(5) H. S. P. Müller, J. C. Guillemin, F. Lewen, and S. Schlemmer, 2022, J. Mol. Spectrosc. 384, Art. No. 111584.