Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYP/6-31G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.92 | 1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.965 | 0.048 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiS+ | silicon monosulfide cation | 1.935 |
Highest value | SiS- | silicon monosulfide anion | 2.060 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiS- | silicon monosulfide anion | 2.060 | 1 | 2 |
SiS | silicon monosulfide | 1.952 | 1 | 2 |
SiS+ | silicon monosulfide cation | 1.935 | 1 | 2 |
SiS2 | Silicon disulfide | 1.939 | 1 | 2 |
1.939 | 1 | 3 |