Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/6-311+G(3df,2p)
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1.86 | 1.88 | 1.90 | 1.92 | 1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.001 | 0.044 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 1.873 |
Highest value | SOCl2 | thionyl chloride | 2.042 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl | sulfur monochloride | 1.984 | 1 | 2 |
SCl+ | sulfur monochloride cation | 1.873 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.007 | 1 | 2 |
2.007 | 1 | 3 | ||
ClS2 | Sulfur chloride | 2.036 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 1.993 | 1 | 3 |
SOCl2 | thionyl chloride | 2.042 | 1 | 3 |
2.042 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.030 | 1 | 3 |
2.030 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 1.987 | 1 | 4 |
1.987 | 1 | 5 |