Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/TZVP
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.60 | 1.60 | 1.61 | 1.61 | 1.62 | 1.62 | 1.63 | 1.63 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.617 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeN+ | Beryllium mononitride cation | 1.604 |
Highest value | BeN | Beryllium mononitride | 1.629 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeN | Beryllium mononitride | 1.629 | 1 | 2 |
BeN+ | Beryllium mononitride cation | 1.604 | 1 | 2 |