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Table 2
Determined parameters for the ground state and first lowest excited modes of 13CH2OHCHO.
| Parameter | g.s. | ν1 = 1 | ν2 = 1 | ν3 = 1 |
|
|
||||
| A/MHz | 18 142.347585(137) | 18 158.665788(189) | 18 271.186559(194) | 18 220.212215(189) |
| B/MHz | 6486.371688(42) | 6443.512178(68) | 6439.195622(82) | 6407.190316(87) |
| C/MHz | 4924.025217(38) | 4920.138890(64) | 4893.909288(70) | 4889.259376(73) |
| ΔJ/kHz | 6.0421246(160) | 6.097184(40) | 6.013999(53) | 6.184484(49) |
| ΔJK/kHz | –19.380210(145) | –18.993301(247) | –20.566390(242) | –22.150861(233) |
| ΔK/kHz | 46.29710(35) | 46.87797(51) | 50.43534( 50) | 51.70740(52) |
| δJ/kHz | 1.7971024(49) | 1.7981212(141) | 1.8087097(176) | 1.8270081(195) |
| δK /kHz | 8.739649(166) | 7.562799(303) | 10.64113(35) | 8.83449(43) |
| ΦJ/Hz | –0.00680317(217) | –0.0067594(82) | –0.0087018(117) | –0.002.8859(105) |
| ΦJK/Hz | 0.164691(42) | 0.090129(219) | 0.225627(234) | 0.17676(33) |
| ΦKJ/Hz | –0.776215(181) | –0.56439(72) | –1.08403(82) | –0.79714(115) |
| ΦK/Hz | 1.03579(46) | 0.92577(70) | 1.35118(78) | 1.13950(97) |
| φJ/Hz | –0.00216263(90) | –0.0019296(35) | –0.0034482(50) | –0.0003940(50) |
| φJK/Hz | –0.021306(70) | 0.006333(134) | –0.071921(150) | –0.009.972(156) |
| φK/Hz | 0.27266(44) | –0.39518(217) | 0.89508(262) | 0.3040(37) |
| LJK/mHz | –0.004671(34) | (a) | (a) | (a) |
| LKKJ/mHz | 0.022005(72) | (a) | (a) | (a) |
| LK/mHz | –0.027932(191) | (a) | (a) | (a) |
| lJK/mHz | –0.0005147(75) | (a) | (a) | (a) |
| lKJ/mHz | 0.002144(85) | (a) | (a) | (a) |
|
93, 37 | 62, 25 | 63, 25 | 64, 25 |
| FreqMAX/GHz | 945 | 630 | 630 | 630 |
| Nb lines | 4655 | 2204 | 1884 | 1779 |
| Fit rms/kHz | 29 | 22 | 23 | 23 |
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