Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYP/CEP-31G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.32 | 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.384 | 0.052 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeH+ | beryllium monohydride cation | 1.335 |
Highest value | BeH- | berylium monohydride anion | 1.468 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeH- | berylium monohydride anion | 1.468 | 1 | 2 |
BeH | beryllium monohydride | 1.352 | 1 | 2 |
BeH+ | beryllium monohydride cation | 1.335 | 1 | 2 |
BeH2 | beryllium dihydride | 1.337 | 1 | 2 |
1.337 | 1 | 3 | ||
BeH2+ | Beryllium dihydride cation | 1.429 | 1 | 2 |
1.429 | 1 | 3 |