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/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.083 | 0.046 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Na2O | disodium monoxide | 2.012 |
Highest value | NaO2 | Sodium superoxide | 2.140 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Na2O | disodium monoxide | 2.012 | 1 | 2 |
2.012 | 1 | 3 | ||
NaO2 | Sodium superoxide | 2.140 | 1 | 2 |
2.140 | 1 | 3 | ||
Na2O2 | disodium dioxide | 2.090 | 1 | 3 |
2.090 | 2 | 3 | ||
2.090 | 1 | 4 | ||
2.090 | 2 | 4 |