Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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G3MP2
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.68 | 1.69 | 1.70 | 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | 1.80 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.759 | 0.038 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CCl | carbon monochloride | 1.680 |
Highest value | CH3CCl2CH3 | Propane, 2,2-dichloro- | 1.798 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CCl | carbon monochloride | 1.680 | 1 | 2 |
CH3Cl | Methyl chloride | 1.784 | 1 | 2 |
CF2Cl2 | difluorodichloromethane | 1.752 | 1 | 4 |
1.752 | 1 | 5 | ||
CF3Cl | Methane, chlorotrifluoro- | 1.747 | 1 | 2 |
CH3CCl2CH3 | Propane, 2,2-dichloro- | 1.798 | 1 | 2 |
1.798 | 1 | 3 |