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 |
CCSD(T)=FULL/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.590 | 0.075 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FSN | Thiazyl fluoride | 1.448 |
Highest value | NH2SH | Thiohydroxylamine | 1.718 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS- | nitrogen sulfide anion | 1.590 | 1 | 2 |
NS | Mononitrogen monosulfide | 1.501 | 1 | 2 |
NH2SH | Thiohydroxylamine | 1.718 | 1 | 2 |
NNS | Nitrogen sulfide | 1.587 | 2 | 3 |
SNO | Nitrogen oxide sulfide | 1.588 | 1 | 2 |
NSO | sulfinyl amidogen | 1.506 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.551 | 1 | 2 |
FSN | Thiazyl fluoride | 1.448 | 1 | 2 |
S2N2 | Disulfur dinitride | 1.649 | 1 | 3 |
1.649 | 2 | 3 | ||
1.649 | 1 | 4 | ||
1.649 | 2 | 4 |