Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/LANL2DZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.88 | 1.88 | 1.88 | 1.88 | 1.88 | 1.88 | 1.88 | 1.88 | 1.88 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.876 | 0.001 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | C4H6OS | Vinyl sulfoxide | 1.875 |
Highest value | CH3SSSCH3 | dimethyl trisulfide | 1.877 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3SSSCH3 | dimethyl trisulfide | 1.877 | 2 | 4 |
1.877 | 3 | 5 | ||
C4H6OS | Vinyl sulfoxide | 1.875 | 1 | 3 |
1.875 | 1 | 4 |