Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HSEh1PBE/cc-pCVDZ
5 | ||||||||||||||||||||||
4 | ||||||||||||||||||||||
3 | ||||||||||||||||||||||
2 | ||||||||||||||||||||||
1 | ||||||||||||||||||||||
0 | ||||||||||||||||||||||
1.49 | 1.49 | 1.50 | 1.50 | 1.51 | 1.51 | 1.52 | ||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.500 | 0.011 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NSO | sulfinyl amidogen | 1.491 |
Highest value | SO | Sulfur monoxide | 1.515 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.515 | 1 | 2 |
NSO | sulfinyl amidogen | 1.491 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.495 | 2 | 3 |