Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/Sadlej_pVTZ
6 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.76 | 1.76 | 1.77 | 1.77 | 1.78 | 1.78 | 1.79 | 1.79 | 1.80 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.772 | 0.008 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CF3Cl | Methane, chlorotrifluoro- | 1.760 |
Highest value | CH3Cl | Methyl chloride | 1.793 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3Cl | Methyl chloride | 1.793 | 1 | 2 |
CH2Cl2 | Methylene chloride | 1.776 | 1 | 4 |
1.776 | 1 | 5 | ||
CCl4 | Carbon tetrachloride | 1.774 | 1 | 2 |
1.774 | 1 | 3 | ||
1.774 | 1 | 4 | ||
1.774 | 1 | 5 | ||
CFCl3 | Trichloromonofluoromethane | 1.769 | 1 | 3 |
1.769 | 1 | 4 | ||
1.769 | 1 | 5 | ||
CF2Cl2 | difluorodichloromethane | 1.765 | 1 | 4 |
1.765 | 1 | 5 | ||
CF3Cl | Methane, chlorotrifluoro- | 1.760 | 1 | 2 |