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 |
CID/cc-pVDZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
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 |
---|---|
1.647 | 0.144 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FSN | Thiazyl fluoride | 1.445 |
Highest value | NH3S | sulfidoazane | 1.864 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NH2SH | Thiohydroxylamine | 1.746 | 1 | 2 |
NH3S | sulfidoazane | 1.864 | 1 | 2 |
SNO | Nitrogen oxide sulfide | 1.600 | 1 | 2 |
NSO | sulfinyl amidogen | 1.580 | 1 | 2 |
FSN | Thiazyl fluoride | 1.445 | 1 | 2 |