Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CISD/Def2TZVPP
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 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.438 | 0.284 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FOO+ | Fluorine dioxide cation | 1.123 |
Highest value | O3H+ | protonated ozone | 2.087 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
O2-- | dioxygen dianion | 1.553 | 1 | 2 |
H2O2 | Hydrogen peroxide | 1.419 | 1 | 2 |
H2OO | water oxide | 1.514 | 1 | 2 |
LiO2 | Lithium dioxide | 1.322 | 2 | 3 |
NaO2 | Sodium superoxide | 1.332 | 2 | 3 |
FOO+ | Fluorine dioxide cation | 1.123 | 1 | 2 |
O3H+ | protonated ozone | 1.156 | 1 | 2 |
2.087 | 1 | 3 |