Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3PW91/6-31G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.046 | 0.050 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiS2 | Silicon disulfide | 2.018 |
Highest value | SiS- | silicon monosulfide anion | 2.145 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiS- | silicon monosulfide anion | 2.145 | 1 | 2 |
SiS | silicon monosulfide | 2.028 | 1 | 2 |
SiS+ | silicon monosulfide cation | 2.020 | 1 | 2 |
SiS2 | Silicon disulfide | 2.018 | 1 | 2 |
2.018 | 1 | 3 |