Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
CCD/6-311+G(3df,2p)
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | 3.60 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.128 | 0.387 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SSO | Disulfur monoxide | 1.876 |
Highest value | S4 | Sulfur tetramer | 3.231 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
S2 | Sulfur diatomic | 1.889 | 1 | 2 |
S3 | Sulfur trimer | 1.905 | 1 | 2 |
1.905 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.876 | 2 | 3 |
CH3SSH | Hydrogen methyl disulfide | 2.054 | 2 | 3 |
Si3H8 | trisilane | 2.347 | 1 | 2 |
2.347 | 1 | 3 | ||
S4 | Sulfur tetramer | 2.053 | 1 | 2 |
1.904 | 1 | 3 | ||
1.904 | 2 | 4 | ||
3.231 | 3 | 4 |