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Table 3.
Comparison of some spectroscopic parameters with those of known data.
| f1 | f2 | f4 | |||||
|---|---|---|---|---|---|---|---|
| Others | Other | Other | |||||
| Parameters | This work | Experimentala | worksb | This work | worksb | This Work | worksb |
| μ | 2.50 | ∼2 | 2.42 | 2.49 | 2.36 | 3.58 | 3.40 |
| A0 | 66 422.1457 | 67 469.6749(29) | 67 828 | 70 642.5458 | 71 386 | 37 523.3249 | 38 301 |
| B0 | 4987.9565 | 5010.18856(34) | 4999 | 5438.7248 | 5495 | 7969.9207 | 8050 |
| C0 | 4643.0545 | 4656.60175(29) | 4649 | 5041.7118 | 5094 | 6563.4595 | 6642 |
Notes. List of dipole-moment (D) rotational constants (MHz). aRef: Bogey et al. (1995). bRotational constants computed by Gronowski et al. (2017) using the method CCSD(T)/cc − pCVQZ + VMP2−CCSD(T)/cc − pVTZ.
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