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=FULL/aug-cc-pVTZ
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 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.608 | 0.095 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FSN | Thiazyl fluoride | 1.444 |
Highest value | NH3S | sulfidoazane | 1.830 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS- | nitrogen sulfide anion | 1.594 | 1 | 2 |
NS | Mononitrogen monosulfide | 1.496 | 1 | 2 |
NH2SH | Thiohydroxylamine | 1.720 | 1 | 2 |
NH3S | sulfidoazane | 1.830 | 1 | 2 |
NNS | Nitrogen sulfide | 1.602 | 2 | 3 |
SNO | Nitrogen oxide sulfide | 1.586 | 1 | 2 |
NSO | sulfinyl amidogen | 1.517 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.548 | 1 | 2 |
FSN | Thiazyl fluoride | 1.444 | 1 | 2 |
S2N2 | Disulfur dinitride | 1.642 | 1 | 3 |
1.642 | 1 | 4 | ||
1.642 | 2 | 3 | ||
1.642 | 2 | 4 |