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/6-31G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.28 | 2.29 | 2.29 | 2.30 | 2.30 | 2.31 | 2.31 | 2.32 | 2.32 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.301 | 0.011 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeCl2 | Selenium Dichloride | 2.290 |
Highest value | SeCl | Selenium monochloride | 2.320 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeCl | Selenium monochloride | 2.320 | 1 | 2 |
SeCl2 | Selenium Dichloride | 2.290 | 1 | 2 |
2.290 | 1 | 3 | ||
SeOCl2 | selenium oxychloride | 2.302 | 1 | 3 |
2.302 | 1 | 4 |