Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/6-311+G(3df,2p)
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1.10 | 1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.380 | 0.259 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FOO+ | Fluorine dioxide cation | 1.126 |
Highest value | O3H+ | protonated ozone | 2.093 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
O2-- | dioxygen dianion | 1.536 | 1 | 2 |
O2 | Oxygen diatomic | 1.192 | 1 | 2 |
H2O2 | Hydrogen peroxide | 1.426 | 1 | 2 |
H2OO | water oxide | 1.500 | 1 | 2 |
O3 | Ozone | 1.235 | 1 | 2 |
1.235 | 1 | 3 | ||
LiO2 | Lithium dioxide | 1.325 | 2 | 3 |
NaO2 | Sodium superoxide | 1.336 | 2 | 3 |
FOO+ | Fluorine dioxide cation | 1.126 | 1 | 2 |
O3H+ | protonated ozone | 1.172 | 1 | 2 |
2.093 | 1 | 3 |