| |
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 | |
HF/daug-cc-pVTZ
| 10 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||
| 8 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 6 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.128 | 0.268 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NaOH | sodium hydroxide | 1.951 |
| Highest value | NaO+ | sodium oxide cation | 3.159 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NaO- | sodium oxide anion | 2.058 | 1 | 2 |
| NaO | sodium monoxide | 1.961 | 1 | 2 |
| NaO+ | sodium oxide cation | 3.159 | 1 | 2 |
| NaOH | sodium hydroxide | 1.951 | 1 | 2 |
| Na2O | disodium monoxide | 1.978 | 1 | 2 |
| 1.978 | 1 | 3 | ||
| NaO2 | Sodium superoxide | 2.128 | 1 | 2 |
| 2.128 | 1 | 3 | ||
| NaOCH3 | Sodium methoxide | 1.956 | 1 | 2 |
| Na2O2 | disodium dioxide | 2.068 | 1 | 3 |
| 2.068 | 1 | 4 | ||
| 2.068 | 2 | 3 | ||
| 2.068 | 2 | 4 | ||
| Na2CO3 | Sodium Carbonate | 2.170 | 2 | 5 |
| 2.170 | 2 | 6 | ||
| 2.129 | 3 | 5 | ||
| 2.129 | 4 | 6 |