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Table 1
Molecular parameters of the ground torsional state of 13CH3NH2.
| Rotational | Inversion | Torsional | |||
|
|
|||||
|
21 661.952564(88) | h2 | –1546.22791(71) | h3 | –2488.87759(96) |
|
81 496.38707(41) | h4 | 2.72870(73) | h5 | 2.87728(52) |
| B−C | 838.138853(57) | h2J | 9.97182(41) × 10-2 | h7 | –6.73(34) × 10-3 |
| ΔJ | 3.806084(18) × 10-2 | h2K | 1.737675(73) | h3J | –5.20711(85) × 10-2 |
| ΔJK | 0.1668639(18) | h4J | −8.57(24) × 10-5 | h5J | 1.325(30) × 10-4 |
| ΔK | 0.706766(12) | h4K | −4.400(40) × 10-3 | h3K | 1.165201(77) |
| δ J | 1.660274(31) × 10-3 | h 2JJ | −3.674(11) × 10-6 | h 5K | –2.555(18) × 10-3 |
| δ K | –0.322295(13) | h 2KK | −9.256(11) × 10-4 | h 3JJ | –1.5021(18) × 10-5 |
| ΦJ | –1.901(11) × 10-8 | h 2JK | −1.5092(20) × 10-4 | h 3KK | –2.283(10) × 10-4 |
| ΦJK | 3.420(14) × 10-6 | h 2JKK | 1.157(21) × 10-7 | h 3JK | –1.547(32) × 10-5 |
| ΦKJ | –1.0297(59) × 10-5 | q 2 | 21.53616(27) | h 5JJ | 8.30(27) × 10-8 |
| ΦK | 3.8535(94) × 10-5 | q 4 | −2.858(16) × 10-2 | h 3JJJ | –2.72(12) × 10-10 |
| φ J | –9.25(34) × 10-10 | q 2J | −3.5835(14) × 10-3 | h 3JJK | –5.441(27) × 10-8 |
| φ JK | 1.392(15) × 10-6 | q 2K | −1.9767(11) × 10-2 | f 3 | –0.165432(10) |
| φ K | 3.540(18) × 10-4 | q 2JJ | 4.955(84) × 10-7 | f 5 | 3.632(27) × 10-4 |
| L JK | 4.589(48) × 10-9 | q 2JK | 2.201(23) × 10-6 | f 3J | –3.191(22) × 10-6 |
| L KKJ | –1.730(18) × 10-8 | q 2KK | 8.58(11) × 10-6 | f 3K | –2.153(32) × 10-4 |
| f 2 | −9.22031(89) × 10-2 | f 5K | –6.52(19) × 10-6 | ||
| ρ | 0.649733019(68) | f 4 | 3.341(15) × 10-4 | f 3JJ | –4.90(13) × 10-10 |
| ρ J | –1.952(59) × 10-8 | f 2J | 5.087(14) × 10-6 | f 3JK | –2.161(81) × 10-8 |
| ρ K | –1.1731(22) × 10-6 | f 2K | 2.007(47) × 10-4 |
|
–3.5943(33) × 10-6 |
| ρ JJ | –4.04(16) × 10-11 | f 4K | −2.98(13) × 10-6 |
|
8.12(51) × 10-8 |
| ρ JK | 6.12(13) × 10-10 | f 2JJ | −1.738(62) × 10-10 | s 3 | –0.3582(82) |
|
−3.9049(86) × 10-6 | r 3 | 0.404(12) | ||
| Hyperfine |
|
4.14(15) × 10-8 | |||
| χ + | –2.4154(33) |
|
3.023(56) × 10-10 | ||
| χ − | 6.0704(32) | r 2 | 10.584(26) | ||
| r 2J | −1.067(53) × 10-3 | ||||
| r 2K | –0.324(14) | ||||
Notes. All parameters are in MHz, except for ρ, ρJ, ρK, ρJJ, and ρJK which are unitless. The structural parameter ρ describes the coupling between the internal rotation of the methyl top and the overall rotation of the molecule as a whole. 
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