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-pVQZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.34 | 1.35 | 1.36 | 1.37 | 1.38 | 1.39 | 1.40 | 1.41 | 1.42 | 1.43 | 1.44 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.400 | 0.031 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeO | beryllium oxide | 1.342 |
Highest value | Be(OH)2 | Beryllium hydroxide | 1.424 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeO | beryllium oxide | 1.342 | 1 | 2 |
BeO+ | Beryllium monoxide cation | 1.416 | 1 | 2 |
BeOH | beryllium monohydroxide | 1.391 | 1 | 2 |
Be(OH)2 | Beryllium hydroxide | 1.424 | 1 | 2 |
1.424 | 1 | 3 |