Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULL/6-31G(2df,p)
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.39 | 1.40 | 1.41 | 1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.432 | 0.028 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeOH | beryllium monohydroxide | 1.395 |
Highest value | BeCO3 | Beryllium Carbonate | 1.464 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeOH | beryllium monohydroxide | 1.395 | 1 | 2 |
Be(OH)2 | Beryllium hydroxide | 1.418 | 1 | 2 |
1.418 | 1 | 3 | ||
BeCO3 | Beryllium Carbonate | 1.464 | 3 | 4 |
1.464 | 3 | 5 |