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 |
MP4/cc-pV(T+d)Z
7 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.80 | 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 |
---|---|
2.090 | 0.236 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | S2+ | sulfur diatomic cation | 1.850 |
Highest value | S4 | Sulfur tetramer | 2.611 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
S2 | Sulfur diatomic | 1.911 | 1 | 2 |
S2+ | sulfur diatomic cation | 1.850 | 1 | 2 |
H2S2 | Disulfane | 2.070 | 1 | 2 |
H2S2+ | hydrogen disulfide cation | 2.006 | 1 | 2 |
S3 | Sulfur trimer | 2.092 | 1 | 2 |
2.092 | 1 | 3 | ||
S3+ | Sulfur trimer cation | 1.941 | 1 | 2 |
1.941 | 1 | 3 | ||
CH3SSH | Hydrogen methyl disulfide | 2.059 | 2 | 3 |
Si3H8 | trisilane | 2.349 | 1 | 2 |
2.349 | 1 | 3 | ||
S4 | Sulfur tetramer | 2.611 | 1 | 2 |
1.932 | 1 | 3 | ||
1.932 | 2 | 4 | ||
2.611 | 3 | 4 | ||
FSSF | Difluorodisulfane | 1.908 | 1 | 2 |
S2F2 | Thio-thionyl fluoride | 1.872 | 1 | 2 |