Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/STO-3G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.384 | 0.131 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeH2 | beryllium dihydride | 1.304 |
Highest value | BeH2+ | Beryllium dihydride cation | 1.697 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeH- | berylium monohydride anion | 1.392 | 1 | 2 |
BeH | beryllium monohydride | 1.315 | 1 | 2 |
BeH+ | beryllium monohydride cation | 1.342 | 1 | 2 |
BeH2 | beryllium dihydride | 1.304 | 1 | 2 |
1.304 | 1 | 3 | ||
BeH2+ | Beryllium dihydride cation | 1.335 | 1 | 2 |
1.697 | 1 | 3 |