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=FULL/aug-cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | 3.60 | 3.80 | 4.00 | 4.20 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
3.060 | 0.807 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Be2+ | Beryllium diatomic cation | 2.254 |
Highest value | Be2 | Beryllium diatomic | 3.867 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Be2 | Beryllium diatomic | 3.867 | 1 | 2 |
Be2+ | Beryllium diatomic cation | 2.254 | 1 | 2 |