Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/6-31G**
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.582 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NS | Mononitrogen monosulfide | 1.503 |
Highest value | HNS- | Sulfur imide anion | 1.666 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS- | nitrogen sulfide anion | 1.598 | 1 | 2 |
NS | Mononitrogen monosulfide | 1.503 | 1 | 2 |
HNS- | Sulfur imide anion | 1.666 | 1 | 2 |
SNO | Nitrogen oxide sulfide | 1.584 | 1 | 2 |
NSO | sulfinyl amidogen | 1.562 | 1 | 2 |