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Table 1
CHD2CN rotational and centrifugal distortion parameters.
| This work | Halonen & Mills (1978) | CDMS database* | |
|
|
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| A/MHz | 96 500.2696 (22) | 96 500.2674 (373) | 96 500.2310 (530) |
| B/MHz | 8320.07278 (10) | 8320.0735 (30) | 8320.0706 (44) |
| C/MHz | 8164.42785 (10) | 8164.4282 (30) | 8164.4253 (44) |
| DJ/kHz | 3.103685 (65) | 3.0903 (34) | 3.10466 (259) |
| DJK/kHz | 126.7475 (21) | 126.2140 (808) | 126.833 (47) |
| DK/kHz | 1206.37 (24) | 1213.57 (319) | 1202.06 (159) |
| d1/kHz | –0.047756 (23) | –0.04786 (14) | –0.048006 (47) |
| d2/kHz | –0.0105627 (84) | –0.010712 (15) | –0.0105365 (46) |
| HJ/Hz | 0.000472 (11) | 0.0 | 0.0 |
| HJK/Hz | 0.72260 (83) | 0.0 | 0.7172 (188) |
| HKJ/Hz | 0.774 (21) | 60.14 (418) | 0.0 |
| HK/Hz | 49.9 (67) | –1941 (275) | 0.0 |
| h1/mHz | –0.0615 (65) | –0.40 (3) | 0.0 |
| h2/mHz | 0.0643 (43) | 0.26 (1) | 0.0637 (64) |
| LJJK/mHz | –0.00472 (11) | ||
| LJK/mHz | –0.0451 (43) | ||
| LKKJ/mHz | –0.590 (86) | ||
| PKJ/μHz | 0.2188 (83) | ||
| PKKJ/μHz | –8.27 (11) | ||
| Freqmaxa/MHz | 940 798.15 | 39 473.20 | 39 473.20 |
| nbr of transitionsb | 1177 | 50 | 50 |
 ,  c |
56, 20 | 53, 4 | 53, 4 |
| rmsd/kHz | 30.6 | 26.2 | 21.5 |
| wrmse | 0.864 | 0.649 | |
Notes.
(*)
Revised fit by H. S. P. Müller using the data of Halonen & Mills (1978),
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