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/LANL2DZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.853 | 0.134 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.587 |
Highest value | ClF3 | Chlorine trifluoride | 1.953 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF+ | clorine monofluoride cation | 1.587 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.892 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.781 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.953 | 1 | 2 |
1.953 | 1 | 3 | ||
1.953 | 1 | 4 |