Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/STO-3G
12 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
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 |
---|---|
2.160 | 0.254 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | S3+ | Sulfur trimer cation | 1.952 |
Highest value | S4 | Sulfur tetramer | 2.961 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
S2- | sulfur diatomic anion | 2.027 | 1 | 2 |
S2 | Sulfur diatomic | 1.964 | 1 | 2 |
S2+ | sulfur diatomic cation | 2.018 | 1 | 2 |
HS2 | Thiosulfeno radical | 2.041 | 1 | 2 |
H2S2 | Disulfane | 2.083 | 1 | 2 |
H2S2+ | hydrogen disulfide cation | 2.076 | 1 | 2 |
S3- | Sulfur trimer anion | 2.045 | 1 | 2 |
2.045 | 1 | 3 | ||
S3 | Sulfur trimer | 2.132 | 1 | 2 |
2.132 | 1 | 3 | ||
S3+ | Sulfur trimer cation | 1.952 | 1 | 2 |
1.952 | 1 | 3 | ||
SSO | Disulfur monoxide | 2.026 | 2 | 3 |
HSSSH | trisulfane | 2.098 | 1 | 2 |
2.098 | 1 | 3 | ||
CH3SSH | Hydrogen methyl disulfide | 2.091 | 2 | 3 |
Si3H8 | trisilane | 2.256 | 1 | 2 |
2.256 | 1 | 3 | ||
S4 | Sulfur tetramer | 2.961 | 1 | 2 |
2.148 | 1 | 3 | ||
2.148 | 2 | 4 | ||
2.961 | 3 | 4 | ||
FSSF | Difluorodisulfane | 2.084 | 1 | 2 |
S2F2 | Thio-thionyl fluoride | 1.970 | 1 | 2 |
CH3SSSCH3 | dimethyl trisulfide | 2.098 | 1 | 2 |
2.098 | 1 | 3 | ||
S2F10 | disulphur decafluoride | 2.545 | 1 | 2 |