Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3PW91/cc-pVTZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.346 | 0.103 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeH | beryllium monohydride | 1.159 |
Highest value | BeH- | berylium monohydride anion | 1.449 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeH- | berylium monohydride anion | 1.449 | 1 | 2 |
BeH | beryllium monohydride | 1.159 | 1 | 2 |
BeH+ | beryllium monohydride cation | 1.317 | 1 | 2 |
BeH2+ | Beryllium dihydride cation | 1.402 | 1 | 2 |
1.402 | 1 | 3 |