Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/6-31G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.703 | 0.103 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NS | Mononitrogen monosulfide | 1.571 |
Highest value | HNS- | Sulfur imide anion | 1.834 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS- | nitrogen sulfide anion | 1.793 | 1 | 2 |
NS | Mononitrogen monosulfide | 1.571 | 1 | 2 |
HNS- | Sulfur imide anion | 1.834 | 1 | 2 |
SNO | Nitrogen oxide sulfide | 1.716 | 1 | 2 |
NSO | sulfinyl amidogen | 1.600 | 1 | 2 |