Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
PBE1PBE/cc-pVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
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 |
---|---|
1.416 | 0.045 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeO | beryllium oxide | 1.321 |
Highest value | BeCO3 | Beryllium Carbonate | 1.465 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeO | beryllium oxide | 1.321 | 1 | 2 |
BeO+ | Beryllium monoxide cation | 1.418 | 1 | 2 |
BeOH | beryllium monohydroxide | 1.397 | 1 | 2 |
Be(OH)2 | Beryllium hydroxide | 1.425 | 1 | 2 |
1.425 | 1 | 3 | ||
BeCO3 | Beryllium Carbonate | 1.465 | 3 | 4 |
1.465 | 3 | 5 |