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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 | |
CBS-Q
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| 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.609 | 0.085 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NS+ | nitrogen sulfide cation | 1.395 |
| Highest value | NH3S | sulfidoazane | 1.862 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NS- | nitrogen sulfide anion | 1.645 | 1 | 2 |
| NS | Mononitrogen monosulfide | 1.556 | 1 | 2 |
| NS+ | nitrogen sulfide cation | 1.395 | 1 | 2 |
| HNS- | Sulfur imide anion | 1.710 | 1 | 2 |
| HNS | Sulfur imide | 1.538 | 1 | 2 |
| NH2SH | Thiohydroxylamine | 1.706 | 1 | 2 |
| NH3S | sulfidoazane | 1.862 | 1 | 2 |
| NNS | Nitrogen sulfide | 1.651 | 2 | 3 |
| SNO | Nitrogen oxide sulfide | 1.605 | 1 | 2 |
| NSO | sulfinyl amidogen | 1.635 | 1 | 2 |
| FNS | Thionitrosyl fluoride | 1.527 | 1 | 2 |
| FSN | Thiazyl fluoride | 1.430 | 1 | 2 |
| S2N2 | Disulfur dinitride | 1.617 | 1 | 3 |
| 1.617 | 2 | 3 | ||
| 1.617 | 2 | 4 | ||
| 1.617 | 1 | 4 | ||
| CH3SO2NH2 | methanesulfonamide | 1.650 | 2 | 3 |
| S4N4 | Tetrasulfur tetranitride | 1.606 | 1 | 5 |
| 1.606 | 2 | 5 | ||
| 1.606 | 3 | 6 | ||
| 1.606 | 4 | 6 | ||
| 1.606 | 4 | 7 | ||
| 1.606 | 1 | 7 | ||
| 1.606 | 3 | 8 | ||
| 1.606 | 2 | 8 |