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 |
B3PW91/6-31G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.15 | 2.16 | 2.17 | 2.18 | 2.19 | 2.20 | 2.21 | 2.22 | 2.23 | 2.24 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.192 | 0.031 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeCl | Selenium monochloride | 2.152 |
Highest value | SeOCl2 | selenium oxychloride | 2.229 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeCl | Selenium monochloride | 2.152 | 1 | 2 |
SeCl2 | Selenium Dichloride | 2.175 | 1 | 2 |
2.175 | 1 | 3 | ||
SeOCl2 | selenium oxychloride | 2.229 | 1 | 3 |
2.229 | 1 | 4 |