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 |
PBE1PBE/6-31G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.635 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2SeO4 | Selenic acid | 1.601 |
Highest value | H2SeO4 | Selenic acid | 1.749 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO | Selenium monoxide | 1.650 | 1 | 2 |
SeO2 | Selenium dioxide | 1.615 | 1 | 2 |
1.615 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.613 | 1 | 2 |
1.613 | 1 | 3 | ||
SeO3 | selenium trioxide | 1.604 | 1 | 2 |
1.604 | 1 | 3 | ||
1.604 | 1 | 4 | ||
H2SeO4 | Selenic acid | 1.601 | 1 | 2 |
1.601 | 1 | 3 | ||
1.749 | 1 | 4 | ||
1.749 | 1 | 5 |