Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBEultrafine/aug-cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.16 | 2.17 | 2.17 | 2.18 | 2.18 | 2.19 | 2.19 | 2.20 | 2.20 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.186 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeCl | Selenium monochloride | 2.165 |
Highest value | SeCl2 | Selenium Dichloride | 2.197 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeCl | Selenium monochloride | 2.165 | 1 | 2 |
SeCl2 | Selenium Dichloride | 2.197 | 1 | 2 |
2.197 | 1 | 3 |