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/cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
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 |
---|---|
1.856 | 0.059 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH2Cl | chloromethyl radical | 1.709 |
Highest value | CH3Br | methyl bromide | 1.939 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CBr | Carbon monobromide | 1.831 | 1 | 2 |
CH2Cl | chloromethyl radical | 1.709 | 1 | 2 |
CH2Br | bromomethyl radical | 1.855 | 1 | 2 |
CH3Br | methyl bromide | 1.939 | 1 | 2 |
CHBr2 | dibromomethyl radical | 1.865 | 1 | 3 |
1.865 | 1 | 4 | ||
CBr3 | tribromomethyl radical | 1.882 | 1 | 2 |
1.882 | 1 | 3 | ||
1.882 | 1 | 4 |