Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/6-311G**
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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 |
---|---|
1.606 | 0.085 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NS+ | nitrogen sulfide cation | 1.392 |
Highest value | NH3S | sulfidoazane | 1.851 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS- | nitrogen sulfide anion | 1.647 | 1 | 2 |
NS | Mononitrogen monosulfide | 1.553 | 1 | 2 |
NS+ | nitrogen sulfide cation | 1.392 | 1 | 2 |
HNS- | Sulfur imide anion | 1.712 | 1 | 2 |
HNS | Sulfur imide | 1.535 | 1 | 2 |
NH2SH | Thiohydroxylamine | 1.707 | 1 | 2 |
NH3S | sulfidoazane | 1.851 | 1 | 2 |
NNS | Nitrogen sulfide | 1.653 | 2 | 3 |
SNO | Nitrogen oxide sulfide | 1.601 | 1 | 2 |
NSO | sulfinyl amidogen | 1.627 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.524 | 1 | 2 |
FSN | Thiazyl fluoride | 1.425 | 1 | 2 |
S2N2 | Disulfur dinitride | 1.612 | 1 | 3 |
1.612 | 2 | 3 | ||
1.612 | 2 | 4 | ||
1.612 | 1 | 4 | ||
CH3SO2NH2 | methanesulfonamide | 1.644 | 2 | 3 |
S4N4 | Tetrasulfur tetranitride | 1.605 | 1 | 5 |
1.605 | 2 | 5 | ||
1.605 | 3 | 6 | ||
1.605 | 4 | 6 | ||
1.605 | 4 | 7 | ||
1.605 | 1 | 7 | ||
1.605 | 3 | 8 | ||
1.605 | 2 | 8 |