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Table 1
Spectroscopic parameters of HC3HCN (all in MHz).
| Parameter | Experimental | Theoretical |
|---|---|---|
| A | 29 173.01440(72) (a) | 27 909 (b) |
| B | 2807.94534(25) | 2835 (b) |
| C | 2556.92917(25) | 2574 (b) |
| ΔN | 0.0014120(19) | 0.0014 (c) |
| ΔNK | −0.109826(50) | −0.091 (c) |
| δN | 0.0003574(45) | 0.000345 (c) |
| εaa | −60.5224(30) | −51.35 (c) |
| εbb | −5.3817(12) | −6.385 (c) |
| εcc | −0.5405(13) | −1.60 (c) |
| εab | ∓1.214(73)(d) | ∓1.64 (c) |
 |
−32.2969(32) | −31.70 (e) |
 |
8.7599(36) | 9.14 (e) |
 |
−7.9786(61) | −8.43 (e) |
 |
±12.58(20)(d) | ±13.55 (e) |
 |
−51.3475(46) | −55.10 (e) |
 |
−25.3318(27) | −29.31 (e) |
 |
24.5181(48) | 28.42 (e) |
 |
[±0.79](f) | ±0.79 (e) |
 |
6.6999(27) | 1.1852 (e) |
 |
−10.3977(22) | −11.33 (e) |
 |
−9.1827(48) | −9.51 (e) |
 |
[±1.72] | ±1.72 (e) |
 |
−2.7743(22) | −2.82 (e) |
 |
0.6098(42) | 0.57 (e) |
 |
[±2.70] | ±2.70 (e) |
| |μa | | 3.70 (b,g) | |
| |μb | | 1.77 (b,g) | |
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