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 |
MP2=FULL/6-31G*
16 | ||||||||||||||||||||||||||||||||||||||||
14 | ||||||||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | 3.00 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.070 | 0.210 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | S2F2 | Thio-thionyl fluoride | 1.863 |
Highest value | S4 | Sulfur tetramer | 2.844 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
S2- | sulfur diatomic anion | 2.029 | 1 | 2 |
S2 | Sulfur diatomic | 1.920 | 1 | 2 |
S2+ | sulfur diatomic cation | 1.869 | 1 | 2 |
HS2 | Thiosulfeno radical | 1.981 | 1 | 2 |
H2S2 | Disulfane | 2.069 | 1 | 2 |
H2S2+ | hydrogen disulfide cation | 2.010 | 1 | 2 |
S3- | Sulfur trimer anion | 2.005 | 1 | 2 |
2.005 | 1 | 3 | ||
S3 | Sulfur trimer | 1.946 | 1 | 2 |
1.946 | 1 | 3 | ||
S3+ | Sulfur trimer cation | 1.939 | 1 | 2 |
1.939 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.917 | 2 | 3 |
ClS2 | Sulfur chloride | 1.906 | 2 | 3 |
HSSSH | trisulfane | 2.067 | 1 | 2 |
2.067 | 1 | 3 | ||
CH3SSH | Hydrogen methyl disulfide | 2.062 | 2 | 3 |
Si3H8 | trisilane | 2.336 | 1 | 2 |
2.336 | 1 | 3 | ||
S4 | Sulfur tetramer | 2.844 | 1 | 2 |
1.944 | 1 | 3 | ||
1.944 | 2 | 4 | ||
2.844 | 3 | 4 | ||
FSSF | Difluorodisulfane | 1.946 | 1 | 2 |
S2F2 | Thio-thionyl fluoride | 1.863 | 1 | 2 |
ClSSCl | Disulfur dichloride | 1.978 | 1 | 2 |
CH3SSCH3 | Disulfide, dimethyl | 2.054 | 1 | 2 |
CH3SSSCH3 | dimethyl trisulfide | 2.062 | 1 | 2 |
2.062 | 1 | 3 | ||
S8 | Octasulfur | 2.066 | 1 | 5 |
2.066 | 4 | 5 | ||
2.066 | 3 | 6 | ||
2.066 | 4 | 6 | ||
2.066 | 2 | 7 | ||
2.066 | 3 | 7 | ||
2.066 | 1 | 8 | ||
2.066 | 2 | 8 | ||
S2F10 | disulphur decafluoride | 2.252 | 1 | 2 |