Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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TPSSh/6-31G
14 | |||||||||||||||||||||||||||||||
12 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.772 | 0.085 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FSN | Thiazyl fluoride | 1.557 |
Highest value | NH3S | sulfidoazane | 1.945 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS | Mononitrogen monosulfide | 1.611 | 1 | 2 |
NH2SH | Thiohydroxylamine | 1.819 | 1 | 2 |
NH3S | sulfidoazane | 1.945 | 1 | 2 |
SNO | Nitrogen oxide sulfide | 1.695 | 1 | 2 |
NSO | sulfinyl amidogen | 1.762 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.645 | 1 | 2 |
FSN | Thiazyl fluoride | 1.557 | 1 | 2 |
S2N2 | Disulfur dinitride | 1.823 | 1 | 3 |
1.823 | 1 | 4 | ||
1.823 | 2 | 3 | ||
1.823 | 2 | 4 | ||
CH3SO2NH2 | methanesulfonamide | 1.843 | 2 | 3 |
S4N4 | Tetrasulfur tetranitride | 1.785 | 1 | 5 |
1.785 | 1 | 7 | ||
1.785 | 2 | 5 | ||
1.785 | 2 | 8 | ||
1.785 | 3 | 6 | ||
1.785 | 3 | 8 | ||
1.785 | 4 | 6 | ||
1.785 | 4 | 7 |