Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/3-21G
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1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.940 | 0.338 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FSN | Thiazyl fluoride | 1.543 |
Highest value | S2N2 | Disulfur dinitride | 2.473 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS- | nitrogen sulfide anion | 1.772 | 1 | 2 |
NS | Mononitrogen monosulfide | 1.620 | 1 | 2 |
NS+ | nitrogen sulfide cation | 2.021 | 1 | 2 |
HNS- | Sulfur imide anion | 1.837 | 1 | 2 |
HNS | Sulfur imide | 1.730 | 1 | 2 |
NH2SH | Thiohydroxylamine | 1.848 | 1 | 2 |
NNS | Nitrogen sulfide | 1.673 | 2 | 3 |
SNO | Nitrogen oxide sulfide | 1.689 | 1 | 2 |
NSO | sulfinyl amidogen | 1.764 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.713 | 1 | 2 |
FSN | Thiazyl fluoride | 1.543 | 1 | 2 |
S2N2 | Disulfur dinitride | 2.473 | 1 | 3 |
2.473 | 1 | 4 | ||
2.473 | 2 | 3 | ||
2.473 | 2 | 4 |