Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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SVWN/6-31G(2df,p)
10 | ||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.609 | 0.070 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FSN | Thiazyl fluoride | 1.451 |
Highest value | NH3S | sulfidoazane | 1.796 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS- | nitrogen sulfide anion | 1.600 | 1 | 2 |
NS | Mononitrogen monosulfide | 1.501 | 1 | 2 |
NH2SH | Thiohydroxylamine | 1.697 | 1 | 2 |
NH3S | sulfidoazane | 1.796 | 1 | 2 |
NNS | Nitrogen sulfide | 1.558 | 2 | 3 |
SNO | Nitrogen oxide sulfide | 1.580 | 1 | 2 |
NSO | sulfinyl amidogen | 1.488 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.555 | 1 | 2 |
FSN | Thiazyl fluoride | 1.451 | 1 | 2 |
S2N2 | Disulfur dinitride | 1.644 | 1 | 3 |
1.644 | 1 | 4 | ||
1.644 | 2 | 3 | ||
1.644 | 2 | 4 | ||
CH3SO2NH2 | methanesulfonamide | 1.655 | 2 | 3 |
S4N4 | Tetrasulfur tetranitride | 1.618 | 1 | 5 |
1.618 | 1 | 7 | ||
1.618 | 2 | 5 | ||
1.618 | 2 | 8 | ||
1.618 | 3 | 6 | ||
1.618 | 3 | 8 | ||
1.618 | 4 | 6 | ||
1.618 | 4 | 7 |