Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3=FULL/6-31G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.16 | 2.17 | 2.18 | 2.19 | 2.20 | 2.21 | 2.22 | 2.23 | 2.24 | 2.25 | 2.26 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.208 | 0.033 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl | sulfur monochloride | 2.168 |
Highest value | SFCl | Sulfur chloride fluoride | 2.248 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl | sulfur monochloride | 2.168 | 1 | 2 |
ClSO | Sulfur chloride oxide | 2.207 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.248 | 1 | 3 |