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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 | |
BLYP/cc-pVDZ
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| 2.21 | 2.22 | 2.22 | 2.23 | 2.23 | 2.24 | 2.24 | 2.25 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.237 | 0.012 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | AsCl | Arsenic monochloride | 2.217 |
| Highest value | AsCl3 | Arsenous trichloride | 2.244 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| AsCl | Arsenic monochloride | 2.217 | 1 | 2 |
| AsCl3 | Arsenous trichloride | 2.244 | 1 | 2 |
| 2.244 | 1 | 3 | ||
| 2.244 | 1 | 4 |