Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP/6-31G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.72 | 1.73 | 1.73 | 1.74 | 1.74 | 1.75 | 1.75 | 1.76 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.734 | 0.010 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO2 | Selenium dioxide | 1.729 |
Highest value | SeO | Selenium monoxide | 1.755 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO | Selenium monoxide | 1.755 | 1 | 2 |
SeO2 | Selenium dioxide | 1.729 | 1 | 2 |
1.729 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.730 | 1 | 2 |
1.730 | 1 | 3 |