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Table 1
Determined parameters for the ground state and first lowest excited modes of CH2OH13CHO.
| Parameter | g.s. | ν1 = 1 | ν2 = 1 | ν3 = 1 |
|
|
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| A/MHz | 18 259.420856(138) | 18 276.114890(202) | 18 389.804481(207) | 18 339.529892(210) |
| B/MHz | 6472.436365(46) | 6429.762469(73) | 6424.945607(103) | 6392.817976(96) |
| C/MHz | 4924.607952(39) | 4920.695284(68) | 4894.384811(77) | 4889.456137(79) |
| ΔJ /kHz | 6.0549035(175) | 6.109038(42) | 6.025532(66) | 6.195241(59) |
| ΔJK/kHz | –20.074050(144) | –19.706090(265) | –21.22054( 32) | –22.859886(298) |
| ΔK /kHz | 47.14390(34) | 47.73743(55) | 51.24159(52) | 52.62572(56) |
| δJ /kHz | 1.7923852(60) | 1.7928296(138) | 1.8035355(281) | 1.8204557(221) |
| δK /kHz | 8.594098(171) | 7.414565(295) | 10.48764(49) | 8.68613(42) |
| ΦJ /Hz | –0.00672850(261) | –0.006.6487(82) | –0.0085328(189) | –0.0028636(150) |
| ΦJK /Hz | 0.165951(41) | 0.093486(187) | 0.22492(32) | 0.176211(259) |
| ΦKJ /Hz | –0.792121(172) | –0.58880(63) | –1.09705(102) | –0.80421(89) |
| ΦK/Hz | 1.06114(42) | 0.95730(69) | 1.37584(90) | 1.16269(86) |
| φJ/Hz | –0.00209800(116) | –0.0018600(35) | –0.0033456(93) | –0.0003544(68) |
| φJK/Hz | –0.020704(70) | 0.007253(110) | –0.070693(256) | –0.011349(209) |
| φK/Hz | 0.26838(50) | –0.39595(192) | 0.8892(32) | 0.28761(286) |
| LJK/mHz | –0.0046785(260) | (a) | (a) | (a) |
| LKKJ/mHz | 0.022324(74) | (a) | (a) | (a) |
| LK /mHz | –0.028327(177) | (a) | (a) | (a) |
| lJK /mHz | –0.0005629(72) | (a) | (a) | (a) |
| lKJ /mHz | 0.001660(101) | (a) | (a) | (a) |
|
93, 37 | 62, 25 | 63, 25 | 64, 25 |
| FreqMAX /GHz | 945 | 630 | 630 | 630 |
| Nb lines | 4218 | 1982 | 1629 | 1571 |
| Fit rms /kHz | 31 | 27 | 25 | 26 |
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