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Table 3
Measured frequencies of the gauche conformer of 2-hydroxyacetonitrile and residuals from the fit (full fit is available at the CDS: S1).
Upper level | Lower level | Frequency(Unc.) | o.-c. | ||||||
J ′′ |
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J′ |
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(in MHz) | (in MHz) |
|
|||||||||
75 | 0 | 75 | 1 | 74 | 1 | 74 | 1 | 657 112.073(0.030) | −0.0230 |
75 | 1 | 75 | 1 | 74 | 0 | 74 | 1 | 657 112.073(0.030) | −0.0230 |
18 | 9 | 9 | 1 | 17 | 8 | 10 | 1 | 657 168.387(0.030) | 0.041 |
18 | 9 | 10 | 1 | 17 | 8 | 9 | 1 | 657 168.387(0.030) | 0.041 |
44 | 10 | 35 | 1 | 44 | 9 | 35 | 0 | 657 260.517(0.030) | 0.002 |
43 | 10 | 34 | 1 | 43 | 9 | 34 | 0 | 657 600.923(0.030) | 0.027 |
12 | 8 | 4 | 1 | 11 | 7 | 4 | 0 | 658 010.623(0.030) | 0.035 |
12 | 8 | 5 | 1 | 11 | 7 | 5 | 0 | 658 010.623(0.030) | 0.035 |
36 | 10 | 27 | 1 | 36 | 9 | 27 | 0 | 659 576.402(0.030) | 0.057 |
28 | 14 | 15 | 0 | 28 | 13 | 15 | 1 | 659 608.388(0.030) | −0.059 |
35 | 10 | 26 | 1 | 35 | 9 | 26 | 0 | 659 806.414(0.030) | 0.017 |
25 | 6 | 19 | 1 | 24 | 5 | 19 | 0 | 659 980.141(0.030) | −0.022 |
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