Table 7:
Sample table of the predicted transitions of the ground vibrational state of CH3CH2C15N.
Transition |
Calc. Frequency |
Calc. Error |
S |
Dipole |
 |
J' (
,
)
- J'' (
,
) |
(MHz) |
(MHz) |
|
|
(cm-1) |
3 (1, 3)-2 (1, 2) |
25 395.710 |
0.05 |
2.6666 |
A |
1.62 |
4 (1, 3)-4 (0, 4) |
25 554.136 |
0.05 |
4.3003 |
B |
2.90 |
3 (0, 3)-2 (0, 2) |
26 055.720 |
0.05 |
2.9994 |
A |
0.87 |
3 (2, 2)-2 (2, 1) |
26 083.623 |
0.05 |
1.6667 |
A |
3.96 |
3 (2, 1)-2 (2, 0) |
26 110.418 |
0.05 |
1.6667 |
A |
3.96 |
3 (1, 2)-2 (1, 1) |
26 761.502 |
0.05 |
2.6666 |
A |
1.67 |
5 (1, 4)-5 (0, 5) |
26 796.205 |
0.05 |
5.1207 |
B |
4.34 |
6 (1, 5)-6 (0, 6) |
28 339.734 |
0.05 |
5.8615 |
B |
6.07 |
7 (1, 6)-7 (0, 7) |
30 211.700 |
0.05 |
6.5105 |
B |
8.09 |
6 (0, 6)-5 (1, 5) |
31 961.207 |
0.05 |
2.8413 |
B |
5.01 |
8 (1, 7)-8 (0, 8) |
32 441.288 |
0.05 |
7.0582 |
B |
10.39 |
4 (1, 4)-3 (1, 3) |
33 853.023 |
0.05 |
3.7498 |
A |
2.47 |
4 (0, 4)-3 (0, 3) |
34 709.447 |
0.05 |
3.9986 |
A |
1.74 |
4 (2, 3)-3 (2, 2) |
34 772.635 |
0.05 |
2.9999 |
A |
4.83 |
.... |
|
|
|
|
|
59 (11, 48)-58 (10, 49) |
995 315.711 |
0.06 |
18.4437 |
B |
573.93 |
54 (9, 45)-54 (6, 48) |
995 592.250 |
0.07 |
0.1157 |
B |
460.59 |
55 (6, 50)-54 (3, 51) |
995 665.199 |
0.07 |
1.2626 |
B |
442.83 |
65 (10, 56)-64 (9, 55) |
996 353.051 |
0.07 |
18.2257 |
B |
666.68 |
65 (10, 55)-64 (9, 56) |
996 527.533 |
0.07 |
18.2248 |
B |
666.67 |
43 (14, 30)-42 (13, 29) |
996 593.606 |
0.06 |
17.9466 |
B |
392.48 |
43 (14, 29)-42 (13, 30) |
996 593.606 |
0.06 |
17.9466 |
B |
392.48 |
55 (5, 51)-54 (2, 52) |
997 274.064 |
0.14 |
1.0781 |
B |
434.25 |
38 (15, 24)-37 (14, 23) |
998 380.799 |
0.07 |
17.7294 |
B |
355.17 |
38 (15, 23)-37 (14, 24) |
998 380.799 |
0.07 |
17.7294 |
B |
355.17 |
73 (9, 65)-72 (8, 64) |
999 104.052 |
0.08 |
17.3127 |
B |
813.83 |
33 (16, 17)-32 (15, 18) |
999 783.283 |
0.09 |
17.5672 |
B |
326.61 |
33 (16, 18)-32 (15, 17) |
999 783.283 |
0.09 |
17.5672 |
B |
326.61 |
54 (12, 43)-53 (11, 42) |
999 793.914 |
0.06 |
18.4736 |
B |
508.77 |
54 (12, 42)-53 (11, 43) |
999 793.924 |
0.06 |
18.4736 |
B |
508.77 |
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