Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
wB97X-D/CEP-31G
8 | |||||||||||||||||||||||||||||||
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.756 | 0.081 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FSN | Thiazyl fluoride | 1.551 |
Highest value | NH3S | sulfidoazane | 1.936 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS | Mononitrogen monosulfide | 1.604 | 1 | 2 |
NH2SH | Thiohydroxylamine | 1.777 | 1 | 2 |
NH3S | sulfidoazane | 1.936 | 1 | 2 |
SNO | Nitrogen oxide sulfide | 1.674 | 1 | 2 |
NSO | sulfinyl amidogen | 1.779 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.636 | 1 | 2 |
FSN | Thiazyl fluoride | 1.551 | 1 | 2 |
S2N2 | Disulfur dinitride | 1.797 | 1 | 3 |
1.797 | 2 | 3 | ||
1.797 | 1 | 4 | ||
1.797 | 2 | 4 | ||
CH3SO2NH2 | methanesulfonamide | 1.788 | 2 | 3 |
S4N4 | Tetrasulfur tetranitride | 1.773 | 1 | 5 |
1.773 | 2 | 5 | ||
1.773 | 3 | 6 | ||
1.773 | 4 | 6 | ||
1.773 | 1 | 7 | ||
1.773 | 4 | 7 | ||
1.773 | 2 | 8 | ||
1.773 | 3 | 8 |