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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: Calculated > Geometry > Calculated geometry > One type of bond | |
wB97X-D/SDD
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| 1.72 | 1.72 | 1.72 | 1.72 | 1.72 | 1.72 | 1.72 | 1.72 | 1.72 | 1.72 | 1.72 | 1.72 | 1.72 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.717 | 0.000 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | AsF3H+ | Arsenic trifluoride, protonated | 1.717 |
| Highest value | AsF3H+ | Arsenic trifluoride, protonated | 1.717 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| AsF3H+ | Arsenic trifluoride, protonated | 1.717 | 1 | 3 |
| 1.717 | 1 | 4 | ||
| 1.717 | 1 | 5 |