Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/cc-pCVTZ
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1.75 | 1.75 | 1.76 | 1.76 | 1.77 | 1.77 | 1.78 | ||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.762 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CF3Cl | Methane, chlorotrifluoro- | 1.751 |
Highest value | CH3Cl | Methyl chloride | 1.775 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3Cl | Methyl chloride | 1.775 | 1 | 2 |
CH2Cl2 | Methylene chloride | 1.764 | 1 | 4 |
1.764 | 1 | 5 | ||
CF2Cl2 | difluorodichloromethane | 1.755 | 1 | 4 |
1.755 | 1 | 5 | ||
CF3Cl | Methane, chlorotrifluoro- | 1.751 | 1 | 2 |
C2Cl6 | hexachloroethane | 1.763 | 1 | 3 |
1.763 | 1 | 4 | ||
1.763 | 1 | 5 | ||
1.763 | 2 | 6 | ||
1.763 | 2 | 7 | ||
1.763 | 2 | 8 |