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 |
BLYP/6-311+G(3df,2p)
25 | ||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
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 |
---|---|
1.945 | 0.063 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH2Cl | chloromethyl radical | 1.712 |
Highest value | CH2BrCH2Br | Ethane, 1,2-dibromo- | 2.012 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CBr | Carbon monobromide | 1.851 | 1 | 2 |
CH2Cl | chloromethyl radical | 1.712 | 1 | 2 |
CH2Br | bromomethyl radical | 1.874 | 1 | 2 |
CH3Br | methyl bromide | 1.985 | 1 | 2 |
BrCN | Cyanogen bromide | 1.809 | 1 | 3 |
CBr2 | dibromomethylene | 1.932 | 1 | 2 |
1.932 | 1 | 3 | ||
HCCBr | bromoacetylene | 1.808 | 2 | 3 |
CHBr2 | dibromomethyl radical | 1.890 | 1 | 3 |
1.890 | 1 | 4 | ||
CH2Br2 | dibromomethane | 1.971 | 1 | 4 |
1.971 | 1 | 5 | ||
CH2BrCl | Methane, bromochloro- | 1.983 | 1 | 2 |
C2H5Br | Ethyl bromide | 2.011 | 2 | 3 |
CBr3 | tribromomethyl radical | 1.914 | 1 | 2 |
1.914 | 1 | 3 | ||
1.914 | 1 | 4 | ||
CHBrCl2 | Methane, bromodichloro- | 1.989 | 1 | 3 |
CHFClBr | fluorochlorobromomethane | 1.986 | 1 | 2 |
CHBrF2 | Methane, bromodifluoro- | 1.987 | 1 | 3 |
CHBr2F | dibromofluoromethane | 1.976 | 1 | 4 |
1.976 | 1 | 5 | ||
CHBrCHBr | Ethene, 1,2-dibromo-, (Z)- | 1.905 | 1 | 3 |
1.905 | 2 | 4 | ||
CH2BrCH2Br | Ethane, 1,2-dibromo- | 2.012 | 1 | 3 |
2.012 | 2 | 4 | ||
CH2BrCH2Cl | 1-bromo-2-chloroethane | 1.996 | 1 | 3 |
CF3Br | Bromotrifluoromethane | 1.977 | 1 | 2 |
CBr2ClF | dibromochlorofluoromethane | 1.989 | 1 | 4 |
1.989 | 1 | 5 | ||
CBrCl2F | bromodichlorofluoromethane | 1.994 | 1 | 2 |
CBr4 | Carbon tetrabromide | 1.984 | 1 | 2 |
1.984 | 1 | 3 | ||
1.984 | 1 | 4 | ||
1.984 | 1 | 5 | ||
CBr3Cl | tribromochloromethane | 1.990 | 1 | 3 |
1.990 | 1 | 4 | ||
1.990 | 1 | 5 | ||
CBr2Cl2 | dibromodichloromethane | 1.996 | 1 | 4 |
1.996 | 1 | 5 | ||
C2Br4 | tetrabromoethene | 1.912 | 1 | 3 |
1.912 | 1 | 4 | ||
1.912 | 2 | 5 | ||
1.912 | 2 | 6 |