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/6-31G**
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.16 | 2.17 | 2.17 | 2.18 | 2.18 | 2.19 | 2.19 | 2.20 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.184 | 0.013 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeCl | Selenium monochloride | 2.166 |
Highest value | SeCl2 | Selenium Dichloride | 2.193 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeCl | Selenium monochloride | 2.166 | 1 | 2 |
SeCl2 | Selenium Dichloride | 2.193 | 1 | 2 |
2.193 | 1 | 3 |