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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 | |
CCSD(T)=FULL/Def2TZVPP
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| 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.567 | 0.104 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FSN | Thiazyl fluoride | 1.448 |
| Highest value | NH2SH | Thiohydroxylamine | 1.725 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NH2SH | Thiohydroxylamine | 1.725 | 1 | 2 |
| SNO | Nitrogen oxide sulfide | 1.590 | 1 | 2 |
| NSO | sulfinyl amidogen | 1.504 | 1 | 2 |
| FSN | Thiazyl fluoride | 1.448 | 1 | 2 |