Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP/aug-cc-pVDZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.34 | 1.35 | 1.36 | 1.37 | 1.38 | 1.39 | 1.40 | 1.41 | 1.42 | 1.43 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.395 | 0.033 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeH | beryllium monohydride | 1.349 |
Highest value | BeH2+ | Beryllium dihydride cation | 1.418 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeH | beryllium monohydride | 1.349 | 1 | 2 |
BeH2+ | Beryllium dihydride cation | 1.418 | 1 | 2 |
1.418 | 1 | 3 |