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 |
B2PLYP=FULL/6-31G(2df,p)
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.047 | 0.055 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Na2O | disodium monoxide | 1.992 |
Highest value | NaO2 | Sodium superoxide | 2.113 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaO | sodium monoxide | 2.025 | 1 | 2 |
Na2O | disodium monoxide | 1.992 | 1 | 2 |
1.992 | 1 | 3 | ||
NaO2 | Sodium superoxide | 2.113 | 1 | 2 |
2.113 | 1 | 3 |