Table 4
Spectroscopic constants of CH2NOH, S-reduction.
| Parameters (MHz) | Ground state | v12 = 1 state | ||
|---|---|---|---|---|
| This work | Ref. (5) | This work | Ref. (5) | |
| A | 67 679.40866(67) (1) | 67 679.389(13) | 66 634.0765(26) | 66 634.045(12) |
| B | 11 859.22541(10) | 11 859.2158(25) | 11 829.50007(23) | 11 829.506(12) |
| C | 10 080.12451(10) | 10 080.1194(27) | 10 088.09344(23) | 10 088.049(16) |
| DJ × 103 | 9.41688(15) | 9.3922(28) | 9.55112(41) | 9.5247(24) |
| DJK | − 0.0247399(15) | − 0.024562(28) | − 0.0238304(61) | − 0.023902(25) |
| DK | 1.424516(19) | 0.014237(94) | 1.26957(18) | 1.26454(13) |
| d1 × 103 | − 1.903093(27) | − 1.8980(61) | − 1.878438(98) | − 1.8650(75) |
| d2 × 103 | − 0.182984(18) | − 0.1862(18) | − 0.117691(36) | − 0.1508(55) |
| HJ × 109 | 5.051(72) | 5.67(25) | ||
| HJK × 106 | − 0.26567(65) | − 23.110(15) | − 0.6009(46) | − 5.964(11) |
| HKJ × 106 | − 8.2687(73) | − 7.831(88) | − 8.75(11) | − 8.430(99) |
| HK × 103 | 0.09206(19) | 0.08775(27) | 0.2919(47) | 0.03975(40) |
| h1 × 109 | 3.784(18) | 4.248(57) | ||
| h2 × 109 | 1.065(15) | 0.548(33) | ||
| h3 × 109 | 0.3595(35) | − 0.6867(91) | ||
| LJK × 109 | 2.703(74) | |||
| LKKJ × 109 | 0.740(23) | 5.12(54) | ||
| LK × 106 | − 0.00800(57) | − 3.563(32) | ||
| PKJ × 1012 | − 0.072(13) | − 6.20(22) | ||
| PKKJ × 109 | − 0.01275(96) | |||
| χaa | 2.9870(16) | 2.445(77) | ||
| χbb | − 4.6838(14) | − 5.321(51) | ||
| χab | 3.6806638 (2) | 3.6806638 (2) | ||
| σ (3) | 0.0324 | 0.0469 | ||
| σw (4) | 0.81 | 0.83 | ||
Notes. (1) The 1-σ uncertainty is displayed in the parentheses in the unit of the last digit. (2) Fixed to B3PW91/6-311+G(df,pd) calculation value. (3)r.m.s. deviation of the fit. (4)Weighted r.m.s. deviation of the fit.
References. (5)Wu & Tan (2020), values converted from wavenumber to megahertz.
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