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 |
ROMP2/6-311+G(3df,2p)
6 | |||||||||||||||||||||||||
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.837 | 0.062 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH2Cl | chloromethyl radical | 1.685 |
Highest value | CH3Br | methyl bromide | 1.930 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CBr | Carbon monobromide | 1.802 | 1 | 2 |
CH2Cl | chloromethyl radical | 1.685 | 1 | 2 |
CH2Br | bromomethyl radical | 1.839 | 1 | 2 |
CH3Br | methyl bromide | 1.930 | 1 | 2 |
CHBr2 | dibromomethyl radical | 1.845 | 1 | 3 |
1.845 | 1 | 4 | ||
CBr3 | tribromomethyl radical | 1.861 | 1 | 2 |
1.861 | 1 | 3 | ||
1.861 | 1 | 4 |