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/6-31+G**
16 | ||||||||||||||||||||||||||||||||||
14 | ||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.710 | 0.326 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.530 |
Highest value | ClF- | clorine monofluoride anion | 3.036 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF- | clorine monofluoride anion | 3.036 | 1 | 2 |
ClF | Chlorine monofluoride | 1.614 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.530 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.772 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.571 | 1 | 2 |
FClO | chlorosyl fluoride | 1.627 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.578 | 1 | 2 |
1.682 | 1 | 3 | ||
1.682 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.629 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.573 | 1 | 3 |
1.679 | 1 | 4 | ||
1.679 | 1 | 5 | ||
ClF5 | chlorinepentafluoride | 1.588 | 1 | 2 |
1.635 | 1 | 3 | ||
1.635 | 1 | 4 | ||
1.635 | 1 | 5 | ||
1.635 | 1 | 6 |