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Table B.1.
Initial spectroscopic parameters Xa (MHz) and their differences ΔXb (MHz) of cyanamide isotopologs derived from the previously published data.
| Parameter |  NCN |
H2NC15N | H2N13CN | H2N13CN, new |
|---|---|---|---|---|
| ΔE | 1462540. (106) | 1486091. (133) | 1486783. (96) | 1486522. (66) |
| Fac | 342.74 (23) | 335.42 (41) | 345.999 (69) | 345.963 (59) |
 |
−1.442 | −1.415 | −1.457 | −1.457 |
 |
1.156 | 1.125 | 1.2388 (130) | 1.2514 (108) |
 |
−48.69 | −47.52 | −50.54 | −50.54 |
 |
10.64 | 10.32 | 11.34 | 11.34 |
| A | 308298. | 308298. | 308209.3 (182) | 308205.1 (122) |
| ΔA/2 | −3844. | −3844. | −3842.81 | −3842.81 |
| B | 9845.1075 (35) | 9794.5437 (55) | 10117.07913 (141) | 10117.07868 (93) |
| ΔB/2 | −8.7495 (36) | −8.0946 (61) | −8.56355 (140) | −8.56394 (93) |
| C | 9604.1941 (33) | 9555.5997 (44) | 9862.34845 (140) | 9862.34933 (114) |
| ΔC/2 | −0.28904 (77) | 0.2699 (49) | 0.35121 (136) | −0.35051 (110) |
| DK | 36.042 | 36.042 | 36.070 | 36.070 |
| ΔDK/2 | −8.086 | −8.086 | −8.092 | −8.092 |
| DJK × 103 | 367.767 (92) | 358.168( 109) | 376.911 (169) | 377.325 (101) |
| ΔDJK/2 × 103 | −19.186 (139) | −17.628 (168) | −17.972 (102) | −18.097 (83) |
| DJ × 103 | 3.6056 (207) | 3.4887 (218) | 3.76075 (44) | 3.75968 (31) |
| ΔDJ/2 × 103 | 0.0165 (204) | 0.0405 (221) | 0.01861 (34) | 0.01813 (26) |
| d1 × 106 | −119.81 | −118.22 | −130.23 (44) | −129.70 (36) |
| Δd1/2 × 106 | 9.71 | 9.59 | 10.54 (44) | 10.88 (36) |
| d2 × 106 | −24.383 | −23.984 | −27.119 (280) | −27.739 (219) |
| Δd2/2 × 106 | 4.733 | 4.656 | 5.484 (167) | 5.516 (165) |
| HK × 103 | 10.76 | 10.76 | 10.77 | 10.77 |
| ΔHK/2 × 103 | −6.45 | −6.45 | −6.46 | −6.46 |
| HKJ × 106 | −257. | −256. | −235.5 (118) | −196.2 (45) |
| ΔHKJ/2 × 106 | 72. | 71. | 84.4 (32) | 82.3 (7) |
| HJK × 106 | 1.020 | 1.012 | 1.122 (86) | 0.945 (44) |
| ΔHJK/2 × 106 | −0.273 | −0.270 | −0.267 (26) | −0.297 (11) |
| HJ × 109 | −0.761 | −0.750 | −0.825 | −0.825 |
| ΔHJ/2 × 109 | 0.189 | 0.186 | 0.204 | 0.204 |
| LK × 106 | 16.0 | 16.0 | 16.04 | 16.04 |
| ΔLK/2 × 106 | −5.3 | −5.3 | −5.32 | −5.32 |
| LKKJ × 106 | −3.58 | −3.56 | −4.953 (239) | −5.800 (54) |
| ΔLKKJ/2 × 106 | 0.343 | 0.343 | 0.353 | 0.353 |
| LJK × 109 | 11.8 | 11.7 | 12.21 (266) | 17.44 (94) |
| rms | 0.039 | 0.032 | 0.042 | 0.043 |
| σb | 0.61 | 0.58 | 0.87 | 0.98 |
Notes. Our present data are given for H2N13CN to allow a direct comparison. Watson’s S reduction has been used in the representation Ir.
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