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 |
QCISD/3-21G*
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
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 |
---|---|
1.642 | 0.085 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NS+ | nitrogen sulfide cation | 1.456 |
Highest value | NH3S | sulfidoazane | 1.889 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS- | nitrogen sulfide anion | 1.692 | 1 | 2 |
NS | Mononitrogen monosulfide | 1.540 | 1 | 2 |
NS+ | nitrogen sulfide cation | 1.456 | 1 | 2 |
HNS- | Sulfur imide anion | 1.763 | 1 | 2 |
HNS | Sulfur imide | 1.603 | 1 | 2 |
NH2SH | Thiohydroxylamine | 1.687 | 1 | 2 |
NH3S | sulfidoazane | 1.889 | 1 | 2 |
NNS | Nitrogen sulfide | 1.625 | 2 | 3 |
SNO | Nitrogen oxide sulfide | 1.602 | 1 | 2 |
NSO | sulfinyl amidogen | 1.542 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.575 | 1 | 2 |
FSN | Thiazyl fluoride | 1.474 | 1 | 2 |
S2N2 | Disulfur dinitride | 1.691 | 1 | 3 |
1.691 | 1 | 4 | ||
1.691 | 2 | 3 | ||
1.691 | 2 | 4 | ||
CH3SO2NH2 | methanesulfonamide | 1.650 | 2 | 3 |
S4N4 | Tetrasulfur tetranitride | 1.650 | 1 | 5 |
1.650 | 1 | 7 | ||
1.650 | 2 | 5 | ||
1.650 | 2 | 8 | ||
1.650 | 3 | 6 | ||
1.650 | 3 | 8 | ||
1.650 | 4 | 6 | ||
1.650 | 4 | 7 |