Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP/6-31G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.94 | 1.94 | 1.94 | 1.94 | 1.94 | 1.95 | 1.95 | 1.95 | 1.95 | 1.95 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.942 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiS2 | Silicon disulfide | 1.937 |
Highest value | SiS | silicon monosulfide | 1.951 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiS | silicon monosulfide | 1.951 | 1 | 2 |
SiS2 | Silicon disulfide | 1.937 | 1 | 2 |
1.937 | 1 | 3 |