Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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AM1
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1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.891 | 0.080 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH2Cl | chloromethyl radical | 1.653 |
Highest value | CF3Br | Bromotrifluoromethane | 2.043 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CBr | Carbon monobromide | 1.813 | 1 | 2 |
CH2Cl | chloromethyl radical | 1.653 | 1 | 2 |
CH2Br | bromomethyl radical | 1.804 | 1 | 2 |
CH3Br | methyl bromide | 1.905 | 1 | 2 |
BrCN | Cyanogen bromide | 1.761 | 1 | 3 |
CHBr2 | dibromomethyl radical | 1.804 | 1 | 3 |
1.804 | 1 | 4 | ||
CH2Br2 | dibromomethane | 1.902 | 1 | 4 |
1.902 | 1 | 5 | ||
CH2BrCl | Methane, bromochloro- | 1.915 | 1 | 2 |
C2H5Br | Ethyl bromide | 1.929 | 2 | 3 |
CBr3 | tribromomethyl radical | 1.817 | 1 | 2 |
1.817 | 1 | 3 | ||
1.817 | 1 | 4 | ||
CHBrCl2 | Methane, bromodichloro- | 1.933 | 1 | 3 |
CHFClBr | fluorochlorobromomethane | 1.977 | 1 | 2 |
CHBrF2 | Methane, bromodifluoro- | 2.017 | 1 | 3 |
CHBr2F | dibromofluoromethane | 1.966 | 1 | 4 |
1.966 | 1 | 5 | ||
CH2BrCH2Br | Ethane, 1,2-dibromo- | 1.928 | 1 | 3 |
1.928 | 2 | 4 | ||
CH2BrCH2Cl | 1-bromo-2-chloroethane | 1.926 | 1 | 3 |
CF3Br | Bromotrifluoromethane | 2.043 | 1 | 2 |
CBr2ClF | dibromochlorofluoromethane | 1.984 | 1 | 4 |
1.984 | 1 | 5 | ||
CBr4 | Carbon tetrabromide | 1.919 | 1 | 2 |
1.919 | 1 | 3 | ||
1.919 | 1 | 4 | ||
1.919 | 1 | 5 | ||
C2Br4 | tetrabromoethene | 1.857 | 1 | 3 |
1.857 | 1 | 4 | ||
1.857 | 2 | 5 | ||
1.857 | 2 | 6 |