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Table 5
Spectroscopic parameters (in cm-1) for the bending states of 12C2HD resulting from the simultaneous fit of all rovibrational and rotational transitions involving levels up to v4 + v5 = 3a.
| Parameter | Parameter | ||
|
|
|||
|
517.402601(218) |
|
2.115710(164) |
|
676.1872194(422) |
|
0.8520559(414) |
|
–0.145264(162) |
|
5.1617199(204) |
|
0.7073464(602) |
|
0.0386452(816) |
|
–2.5974827(345) |
|
–0.1020513(272) |
| y 444 | –0.0361132(273) |
|
0.0220361(276) |
| y 555 | 0.03026153(794) |
|
0.0399687(352) |
| y 455 | 0.0425917(215) |
|
–0.0497444(235) |
| y 445 | 0.0427392(230) |
|
0.01898570(786) |
|
1.558537(256) | r 445 | 0.066625(144) |
| r 455 | 0.2376927(666) |
|
–0.02425307(715) |
| B 0 | 0.99152746042(798) | γ44 × 103 | –0.0803231(111) |
| α4 × 103 | –2.6433354(162) | γ45 × 103 | –0.002734(103) |
| α5 × 103 | –1.4813042(109) | γ55 × 103 | –0.11852215(598) |
| γ44 × 103 | 0.0320827(114) |
|
–1.15751(389) |
| γ45 × 103 | –0.0254007(772) |
|
2.4004(700) |
| γ55 × 103 | 0.02386750(325) |
|
–0.5481(311) |
| γ444 × 106 | –0.13205(272) |
|
–2.4642(524) |
| γ445 × 106 | 2.0608(324) |
|
2.9034(567) |
| γ455 × 106 | 0.2960(296) |
|
–2.47508(202) |
| D0 × 106 | 1.1348569(460) | δ55 × 109 | 0.3352(113) |
| β4 × 106 | 0.0360515(446) | δ44 × 109 | –1.0216(230) |
| β5 × 106 | 0.0166603(420) | δ45 × 109 | 1.0568(731) |
| δ44 × 109 | –0.6920(160) | δ55 × 109 | –2.0961(255) |
| H0 × 1012 | 1.0517(533) | h5 × 1012 | 0.2711(170) |
| h4 × 1012 | 0.8211(213) | ||
|
4.3971804(145) |
|
–0.0396014(590) |
|
3.4775451(139) |
|
–0.0229481(559) |
| q44 × 103 | 0.04117559(416) |
|
0.3843(367) |
| q45 × 103 | –0.0055881(646) |
|
0.3524(376) |
| q54 × 103 | 0.0177668(890) |
|
–5.0405(982) |
| q55 × 103 | 0.04839697(402) | ||
|
–0.016295(311) | ρ55 × 109 | 8.740(197) |
|
–0.018320(392) |
|
–3.082(119) |
| ρ44 × 109 | 3.844(155) |
|
–0.6290(815) |
|
–1.744(191) | ||
| Number of IR data fitted | 4828 | ||
| Number of MW data fitted | 168 | ||
| St. dev. of the IR data/ cm-1 × 104 | 3.06 | ||
| St. dev. of the MW data/kHz | 19 | ||
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