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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| Mode Number | Symmetry | Frequency(cm-1) | IR Intensity | Comment | Description | ||||
|---|---|---|---|---|---|---|---|---|---|
| Fundamental | Harmonic | Reference | (km mol-1) | unc. | Reference | ||||
| 1 | A' | 3521.0 | |||||||
| 2 | A' | 3413.0 | |||||||
| 3 | A' | 2964.0 | |||||||
| 4 | A' | 2925.0 | |||||||
| 5 | A' | 1597.0 | |||||||
| 6 | A' | 1433.0 | |||||||
| 7 | A' | 1372.0 | |||||||
| 8 | A' | 1348.0 | |||||||
| 9 | A' | 1309.0 | |||||||
| 10 | A' | 999.0 | |||||||
| 11 | A' | 987.0 | |||||||
| 12 | A' | 735.0 | |||||||
| 13 | A' | 434.0 | |||||||
| 15 | A" | 2941.0 | |||||||
| 16 | A" | 1437.0 | |||||||
| 18 | A" | 603.0 | |||||||
| 19 | A" | 501.0 | |||||||
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