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 |
MP2/CEP-31G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.698 | 0.169 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeN- | Beryllium mononitride anion | 1.508 |
Highest value | BeN+ | Beryllium mononitride cation | 1.918 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeN- | Beryllium mononitride anion | 1.508 | 1 | 2 |
BeN | Beryllium mononitride | 1.668 | 1 | 2 |
BeN+ | Beryllium mononitride cation | 1.918 | 1 | 2 |