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/STO-3G
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1.00 | 2.00 | 3.00 | 4.00 | 5.00 | 6.00 | 7.00 | 8.00 | 9.00 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.503 | 1.969 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.645 |
Highest value | ClF3 | Chlorine trifluoride | 7.709 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.719 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.645 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.766 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.758 | 1 | 2 |
FClO | chlorosyl fluoride | 1.723 | 1 | 2 |
ClF3 | Chlorine trifluoride | 7.709 | 1 | 2 |
1.852 | 1 | 3 | ||
1.852 | 1 | 4 |