Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP/3-21G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.31 | 2.31 | 2.31 | 2.31 | 2.31 | 2.31 | 2.31 | 2.31 | 2.31 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.311 | 0.003 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsCl | Arsenic monochloride | 2.307 |
Highest value | AsCl3 | Arsenous trichloride | 2.313 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsCl | Arsenic monochloride | 2.307 | 1 | 2 |
AsCl3 | Arsenous trichloride | 2.313 | 1 | 2 |
2.313 | 1 | 3 | ||
2.313 | 1 | 4 |