Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CID/STO-3G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.65 | 1.66 | 1.66 | 1.67 | 1.67 | 1.68 | 1.68 | 1.69 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.668 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeOCl2 | selenium oxychloride | 1.656 |
Highest value | SeO | Selenium monoxide | 1.680 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO | Selenium monoxide | 1.680 | 1 | 2 |
SeOCl2 | selenium oxychloride | 1.656 | 1 | 2 |