Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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mPW1PW91/6-311G**
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.30 | 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 |
---|---|
1.371 | 0.048 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeH+ | beryllium monohydride cation | 1.318 |
Highest value | BeH- | berylium monohydride anion | 1.462 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeH- | berylium monohydride anion | 1.462 | 1 | 2 |
BeH | beryllium monohydride | 1.349 | 1 | 2 |
BeH+ | beryllium monohydride cation | 1.318 | 1 | 2 |
BeH2 | beryllium dihydride | 1.333 | 1 | 2 |
1.333 | 1 | 3 | ||
BeH2+ | Beryllium dihydride cation | 1.401 | 1 | 2 |
1.401 | 1 | 3 |