Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULLultrafine/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.104 | 0.126 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 1.898 |
Highest value | SCl4 | Sulfur tetrachloride | 2.279 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl+ | sulfur monochloride cation | 1.898 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.020 | 1 | 3 |
SSCl2 | Thiothionyl chloride | 2.149 | 2 | 3 |
2.149 | 2 | 4 | ||
SCl4 | Sulfur tetrachloride | 2.028 | 1 | 2 |
2.028 | 1 | 3 | ||
2.279 | 1 | 4 | ||
2.279 | 1 | 5 |