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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 | |
ROMP2/6-31G(2df,p)
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| 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.560 | 0.056 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NS | Mononitrogen monosulfide | 1.488 |
| Highest value | HNS- | Sulfur imide anion | 1.642 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NS- | nitrogen sulfide anion | 1.569 | 1 | 2 |
| NS | Mononitrogen monosulfide | 1.488 | 1 | 2 |
| HNS- | Sulfur imide anion | 1.642 | 1 | 2 |
| NSO | sulfinyl amidogen | 1.541 | 1 | 2 |