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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 | |
TPSSh/3-21G
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| 2.29 | 2.30 | 2.30 | 2.30 | 2.30 | 2.30 | 2.30 | 2.30 | 2.30 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.300 | 0.003 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | AsCl | Arsenic monochloride | 2.295 |
| Highest value | AsCl3 | Arsenous trichloride | 2.302 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| AsCl | Arsenic monochloride | 2.295 | 1 | 2 |
| AsCl3 | Arsenous trichloride | 2.302 | 1 | 2 |
| 2.302 | 1 | 3 | ||
| 2.302 | 1 | 4 |