Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)/6-31G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.61 | 1.61 | 1.61 | 1.61 | 1.62 | 1.62 | 1.62 | 1.62 | 1.62 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.615 | 0.003 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeN+ | Beryllium mononitride cation | 1.612 |
Highest value | BeN | Beryllium mononitride | 1.618 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeN | Beryllium mononitride | 1.618 | 1 | 2 |
BeN+ | Beryllium mononitride cation | 1.612 | 1 | 2 |