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 |
MP3=FULL/daug-cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.506 | 0.086 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO+ | sulfur monoxide cation | 1.445 |
Highest value | HOSH | hydrogen thioperoxide | 1.708 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO+ | sulfur monoxide cation | 1.445 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.476 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.574 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.708 | 1 | 2 |
NSO | sulfinyl amidogen | 1.490 | 1 | 3 |
SO3 | Sulfur trioxide | 1.453 | 1 | 2 |
1.453 | 1 | 3 | ||
1.453 | 1 | 4 |