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 |
B2PLYP/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 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.135 | 0.232 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | S2 | Sulfur diatomic | 1.934 |
Highest value | S4 | Sulfur tetramer | 2.665 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
S2 | Sulfur diatomic | 1.934 | 1 | 2 |
H2S2 | Disulfane | 2.099 | 1 | 2 |
H2S2+ | hydrogen disulfide cation | 2.033 | 1 | 2 |
S3 | Sulfur trimer | 1.965 | 1 | 2 |
1.965 | 1 | 3 | ||
S3+ | Sulfur trimer cation | 1.980 | 1 | 2 |
1.980 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.944 | 2 | 3 |
HSSSH | trisulfane | 2.098 | 1 | 2 |
2.098 | 1 | 3 | ||
CH3SSH | Hydrogen methyl disulfide | 2.092 | 2 | 3 |
Si3H8 | trisilane | 2.361 | 1 | 2 |
2.361 | 1 | 3 | ||
S4 | Sulfur tetramer | 2.665 | 1 | 2 |
1.938 | 1 | 3 | ||
1.938 | 2 | 4 | ||
2.665 | 3 | 4 | ||
S2F10 | disulphur decafluoride | 2.308 | 1 | 2 |