Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/6-311G*
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1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | 1.94 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.769 | 0.082 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CHCl2 | dichloromethyl radical | 1.703 |
Highest value | ClCO | carbonyl monochloride | 1.931 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3Cl+ | Methyl chloride cation | 1.762 | 1 | 2 |
CCl2- | dichloromethylene anion | 1.895 | 1 | 2 |
1.895 | 1 | 3 | ||
ClCO | carbonyl monochloride | 1.931 | 1 | 2 |
CHCl2 | dichloromethyl radical | 1.703 | 1 | 3 |
1.703 | 1 | 4 | ||
CHFCl | Chlorofluoromethyl radical | 1.712 | 1 | 4 |
CH2CH2Cl | 2-chloroethyl radical | 1.822 | 2 | 3 |
CFCl2 | dichlorofluoromethyl radical | 1.718 | 1 | 3 |
1.718 | 1 | 4 | ||
CCl3 | Trichloromethyl radical | 1.712 | 1 | 2 |
1.712 | 1 | 3 | ||
1.712 | 1 | 4 |