Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.10 | 1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.382 | 0.184 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeH | beryllium monohydride | 1.159 |
Highest value | BeH2+ | Beryllium dihydride cation | 1.791 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeH- | berylium monohydride anion | 1.440 | 1 | 2 |
BeH | beryllium monohydride | 1.159 | 1 | 2 |
BeH+ | beryllium monohydride cation | 1.309 | 1 | 2 |
BeH2 | beryllium dihydride | 1.332 | 1 | 2 |
1.332 | 1 | 3 | ||
BeH2+ | Beryllium dihydride cation | 1.309 | 1 | 2 |
1.791 | 1 | 3 |