Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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TPSSh/cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | 3.00 | 3.10 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.114 | 0.260 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SSCl2 | Thiothionyl chloride | 1.907 |
Highest value | S4 | Sulfur tetramer | 3.012 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
S2 | Sulfur diatomic | 1.927 | 1 | 2 |
H2S2 | Disulfane | 2.093 | 1 | 2 |
H2S2+ | hydrogen disulfide cation | 2.028 | 1 | 2 |
S3 | Sulfur trimer | 1.953 | 1 | 2 |
1.953 | 1 | 3 | ||
S3+ | Sulfur trimer cation | 1.960 | 1 | 2 |
1.960 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.932 | 2 | 3 |
HSSSH | trisulfane | 2.095 | 1 | 2 |
2.095 | 1 | 3 | ||
CH3SSH | Hydrogen methyl disulfide | 2.087 | 2 | 3 |
Si3H8 | trisilane | 2.358 | 1 | 2 |
2.358 | 1 | 3 | ||
S4 | Sulfur tetramer | 2.269 | 1 | 2 |
1.929 | 1 | 3 | ||
1.929 | 2 | 4 | ||
3.012 | 3 | 4 | ||
SSCl2 | Thiothionyl chloride | 1.907 | 1 | 2 |
S2F10 | disulphur decafluoride | 2.323 | 1 | 2 |