Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
B2PLYP=FULLultrafine/6-31+G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.63 | 1.63 | 1.64 | 1.64 | 1.65 | 1.65 | 1.66 | 1.66 | 1.67 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.641 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO2+ | Selenium dioxide cation | 1.632 |
Highest value | SeO | Selenium monoxide | 1.664 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO | Selenium monoxide | 1.664 | 1 | 2 |
SeO2 | Selenium dioxide | 1.638 | 1 | 2 |
1.638 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.632 | 1 | 2 |
1.632 | 1 | 3 |