Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBE/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.17 | 2.17 | 2.18 | 2.18 | 2.19 | 2.19 | 2.20 | 2.20 | 2.21 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.195 | 0.013 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsCl | Arsenic monochloride | 2.174 |
Highest value | AsCl3 | Arsenous trichloride | 2.203 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsCl | Arsenic monochloride | 2.174 | 1 | 2 |
AsCl3 | Arsenous trichloride | 2.203 | 1 | 2 |
2.203 | 1 | 3 | ||
2.203 | 1 | 4 |