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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Experimental > One molecule all properties |
Other names |
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Chlorine fluoride oxide; Chlorine oxide trifluoride; trifluoro(oxo)-λ5-chlorane; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/ClF3O/c2-1(3,4)5 | QPKQQPNQDSQNHS-UHFFFAOYSA-N | O=Cl(F)(F)F |
State | Conformation |
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1A' | CS |
Property | Value | Uncertainty | units | Reference | Comment |
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Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
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Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | A' | 1222 | 1972Chr/Cur:2196 | ||||||
2 | A' | 694 | |||||||
3 | A' | 489 | |||||||
4 | A' | 482 | |||||||
5 | A' | 319 | |||||||
6 | A' | 224 | |||||||
7 | A" | 676 | |||||||
8 | A" | 499 | |||||||
9 | A" | 412 |