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 |
MP4=FULL/6-31G*
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.615 | 0.087 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FSN | Thiazyl fluoride | 1.461 |
Highest value | NH2SH | Thiohydroxylamine | 1.745 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS- | nitrogen sulfide anion | 1.628 | 1 | 2 |
NS | Mononitrogen monosulfide | 1.541 | 1 | 2 |
NH2SH | Thiohydroxylamine | 1.745 | 1 | 2 |
NNS | Nitrogen sulfide | 1.582 | 2 | 3 |
SNO | Nitrogen oxide sulfide | 1.602 | 1 | 2 |
NSO | sulfinyl amidogen | 1.473 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.583 | 1 | 2 |
FSN | Thiazyl fluoride | 1.461 | 1 | 2 |
S2N2 | Disulfur dinitride | 1.691 | 1 | 3 |
1.691 | 1 | 4 | ||
1.691 | 2 | 3 | ||
1.691 | 2 | 4 |