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 |
TPSSh/aug-cc-pV(T+d)Z
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.101 | 0.180 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | S3+ | Sulfur trimer cation | 1.927 |
Highest value | Si3H8 | trisilane | 2.347 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
H2S2 | Disulfane | 2.059 | 1 | 2 |
H2S2+ | hydrogen disulfide cation | 1.999 | 1 | 2 |
S3+ | Sulfur trimer cation | 1.927 | 1 | 2 |
1.927 | 1 | 3 | ||
Si3H8 | trisilane | 2.347 | 1 | 2 |
2.347 | 1 | 3 |