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 |
B1B95/daug-cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.10 | 1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.401 | 0.314 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FOO+ | Fluorine dioxide cation | 1.126 |
Highest value | O3H+ | protonated ozone | 2.168 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
O2-- | dioxygen dianion | 1.283 | 1 | 2 |
O2- | oxygen diatomic anion | 1.323 | 1 | 2 |
O2 | Oxygen diatomic | 1.196 | 1 | 2 |
H2O2 | Hydrogen peroxide | 1.428 | 1 | 2 |
H2OO | water oxide | 1.511 | 1 | 2 |
FOO+ | Fluorine dioxide cation | 1.126 | 1 | 2 |
O3H+ | protonated ozone | 1.175 | 1 | 2 |
2.168 | 1 | 3 |