Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/TZVP
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.15 | 2.16 | 2.16 | 2.17 | 2.17 | 2.18 | 2.18 | 2.19 | 2.19 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.171 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeCl | Selenium monochloride | 2.156 |
Highest value | SeOCl2 | selenium oxychloride | 2.186 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeCl | Selenium monochloride | 2.156 | 1 | 2 |
SeCl2 | Selenium Dichloride | 2.164 | 1 | 2 |
2.164 | 1 | 3 | ||
SeOCl2 | selenium oxychloride | 2.186 | 1 | 3 |
2.186 | 1 | 4 |