Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/LANL2DZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.30 | 2.30 | 2.30 | 2.30 | 2.30 | 2.31 | 2.31 | 2.31 | 2.31 | 2.31 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.306 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeCl | Selenium monochloride | 2.296 |
Highest value | SeCl2 | Selenium Dichloride | 2.311 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeCl | Selenium monochloride | 2.296 | 1 | 2 |
SeCl2 | Selenium Dichloride | 2.311 | 1 | 2 |
2.311 | 1 | 3 |