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 |
wB97X-D/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.11 | 2.11 | 2.12 | 2.12 | 2.13 | 2.13 | 2.14 | 2.14 | 2.15 | 2.15 | 2.16 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.131 | 0.019 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeOCl2 | selenium oxychloride | 2.111 |
Highest value | SeCl2 | Selenium Dichloride | 2.154 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeCl | Selenium monochloride | 2.126 | 1 | 2 |
SeCl2 | Selenium Dichloride | 2.154 | 1 | 2 |
2.154 | 1 | 3 | ||
SeOCl2 | selenium oxychloride | 2.111 | 1 | 3 |
2.111 | 1 | 4 |