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Table 2
Rotational constants of carbonyl cyanide in the ground and v5 = 1 excited vibrational states.
| A-reduction | S-reduction | ||||
| Parameters | ground state | v5 = 1 | Parameters | ground state | v5 = 1 |
|
|
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| A (MHz) | 6761.19639(24)a | 6774.60290(28) | A (MHz) | 6761.19729(24) | 6774.60360(29) |
| B (MHz) | 2924.67917(11) | 2938.04557(10) | B (MHz) | 2924.67633(11) | 2938.04256(12) |
| C (MHz) | 2037.98186(12) | 2039.909888(91) | C (MHz) | 2037.98419(12) | 2039.912938(97) |
| ΔJ (kHz) | 1.612451(68) | 1.636301(36) | DJ (kHz) | 1.543197(70) | 1.552642(40) |
| ΔJK (kHz) | –12.55652(30) | –12.46339(20) | DJK (kHz) | –12.14225(35) | –11.96167(23) |
| ΔK (kHz) | 44.19628(56) | 43.78605(81) | DK (kHz) | 43.85483(48) | 43.36975(88) |
| δJ (kHz) | 0.716682(18) | 0.728552(13) | d1 (kHz) | –0.716726(19) | –0.728646(15) |
| δK (kHz) | 1.33885(11) | 1.60465(16) | d2 (kHz) | –0.0345853(47) | –0.0418866(52) |
| ΦJ (Hz) | 0.009053(17) | 0.0086769(47) | HJ (Hz) | 0.008828(17) | 0.0083203(52) |
| ΦJK (Hz) | –0.07002(12) | –0.062065(55) | HJK (Hz) | –0.11021(14) | –0.102757(49) |
| ΦKJ (Hz) | 0.03357(36) | 0.01452(15) | HKJ (Hz) | 0.17052(30) | 0.15394(10) |
| ΦK (Hz) | 0.60286(62) | 0.5944(10) | HK (Hz) | 0.51077(61) | 0.4985(11) |
| φJ (Hz) | 0.0044705(55) | 0.0043016(20) | h1 (Hz) | 0.0042193(58) | 0.0040489(23) |
| φJK (Hz) | –0.005964(30) | –0.003666(39) | h2 (Hz) | 0.0001008(22) | 0.0001837(12) |
| φK (Hz) | 0.28877(33) | 0.30250(19) | h3 (Hz) | 0.00026054(38) | 0.00027742(77) |
| LJ (mHz) | –0.0000647(15) | 0.0 | LJ (mHz) | –0.0000675(16) | 0.0 |
| LJJK (mHz) | 0.000383(17) | 0.0 | LJJK (mHz) | 0.001027(19) | 0.0 |
| LJK (mHz) | –0.004939(86) | 0.0 | LJK (mHz) | –0.002266(71) | 0.0 |
| LKKJ (mHz) | 0.01253(18) | 0.0 | LK (mHz) | –0.01117(24) | 0.0 |
| LK (mHz) | –0.01879(24) | –0.00976(48) | l1 (mHz) | –0.00002840(57) | –0.01042(50) |
| lJ (mHz) | –0.00003184(55) | 0.0 | l2 (mHz) | 0.00000300(28) | 0.0 |
| lKJ (mHz) | –0.001843(65) | 0.0 | l3 (mHz) | –0.000004097(79) | –0.00000225(16) |
| lK (mHz) | –0.02151(21) | 0.0 | l4 (mHz) | –0.000000528(10) | 0.0 |
|
|
|||||
| N b | 1176 | 870 | 1176 | 870 | |
| σc (MHz) | 0.030 | 0.031 | 0.031 | 0.032 | |
| σ w d | 0.64 | 0.80 | 0.68 | 0.84 | |
| η e | 455 | 157 | 428 | 163 | |
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