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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 | |
LSDA/aug-cc-pVTZ
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| 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.597 | 0.065 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NS+ | nitrogen sulfide cation | 1.438 |
| Highest value | HNS- | Sulfur imide anion | 1.670 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NS- | nitrogen sulfide anion | 1.580 | 1 | 2 |
| NS | Mononitrogen monosulfide | 1.497 | 1 | 2 |
| NS+ | nitrogen sulfide cation | 1.438 | 1 | 2 |
| HNS- | Sulfur imide anion | 1.670 | 1 | 2 |
| HNS | Sulfur imide | 1.566 | 1 | 2 |
| NNS | Nitrogen sulfide | 1.563 | 2 | 3 |
| FNS | Thionitrosyl fluoride | 1.541 | 1 | 2 |
| FSN | Thiazyl fluoride | 1.450 | 1 | 2 |
| S2N2 | Disulfur dinitride | 1.648 | 1 | 3 |
| 1.648 | 1 | 4 | ||
| 1.648 | 2 | 3 | ||
| 1.648 | 2 | 4 | ||
| CH3SO2NH2 | methanesulfonamide | 1.662 | 2 | 3 |
| S4N4 | Tetrasulfur tetranitride | 1.623 | 1 | 5 |
| 1.623 | 1 | 7 | ||
| 1.623 | 2 | 5 | ||
| 1.623 | 2 | 8 | ||
| 1.623 | 3 | 6 | ||
| 1.623 | 3 | 8 | ||
| 1.623 | 4 | 6 | ||
| 1.623 | 4 | 7 |