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Table 1
Spectroscopic constants of the ground-vibrational state of 13C–CH3CH2CN, A-reduction.
| 13CH3CH2CN | CH CH2CN |
CH3CH CN |
|||||||
|
|
|||||||||
| A/MHz | 27 342.63773 | (51) | 27 045.84363 | (38) | 27 635.42032 | (36) | |||
| B/MHz | 4598.064016 | (89) | 4697.959450 | (71) | 4689.912975 | (66) | |||
| C/MHz | 4133.742548 | (92) | 4207.097999 | (64) | 4214.778898 | (58) | |||
| ΔJ/kHz | 2.992921 | (26) | 2.992961 | (22) | 3.034021 | (22) | |||
| ΔJK/kHz | −48.38307 | (23) | −45.08507 | (23) | −47.84327 | (22) | |||
| ΔK/kHz | 546.4137 | (40) | 525.9986 | (28) | 554.0047 | (29) | |||
| δJ/kHz | 0.662708 | (15) | 0.683922 | (10) | 0.676863 | (10) | |||
| δK/kHz | 12.0680 | (15) | 12.7168 | (15) | 12.4949 | (14) | |||
| ΦJ/Hz | 0.0099677 | (35) | 0.0098115 | (30) | 0.0099637 | (32) | |||
| ΦJK/Hz | −0.04585 | (16) | −0.01975 | (20) | −0.03851 | (23) | |||
| ΦKJ/Hz | −1.88899 | (95) | −1.87981 | (95) | −1.8559 | (10) | |||
| ΦK/Hz | 31.536 | (14) | 30.3286 | (95) | 31.838 | (10) | |||
| φJ/Hz | 0.0037983 | (28) | 0.0038469 | (23) | 0.0038691 | (22) | |||
| φJK/Hz | 0.08583 | (14) | 0.09247 | (13) | 0.09030 | (13) | |||
| φK/Hz | 5.523 | (12) | 5.702 | (13) | 5.824 | (15) | |||
| LJ/mHz | −0.00004170 | (15) | −0.00003903 | (13) | −0.00003980 | (15) | |||
| LJJK/mHz | −0.0001768 | (25) | −0.0000644 | (28) | |||||
| LJK/mHz | −0.005993 | (53) | −0.006546 | (43) | −0.006711 | (41) | |||
| LKKJ/mHz | 0.09609 | (81) | 0.09995 | (42) | 0.09198 | (28) | |||
| LK/mHz | −2.033 | (16) | −2.029 | (10) | −2.098 | (12) | |||
| lJ/μHz | −0.01942 | (15) | −0.01981 | (13) | −0.02033 | (13) | |||
| Linesa | 1845 | 1835 | 1976 | ||||||
| Lworstb | 4.0 | −3.6 | 3.7 | ||||||
| nc | 20 | 21 | 21 | ||||||
| sd | 39 | 38 | 38 | ||||||
| ηe | 265 | 360 | 424 | ||||||
Notes.
(e)
Condition number (Belsley 1991; Demaison et al. 1994).
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