Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
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2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.99 | 2.00 | 2.01 | 2.02 | 2.03 | 2.04 | 2.05 | 2.06 | 2.07 | 2.08 | 2.09 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.035 | 0.027 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl | sulfur monochloride | 1.996 |
Highest value | ClSO | Sulfur chloride oxide | 2.079 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl | sulfur monochloride | 1.996 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.033 | 1 | 2 |
2.033 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.079 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.015 | 1 | 3 |
SF5Cl | sulfur chloropentafluoride | 2.056 | 1 | 2 |