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/STO-3G
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.802 | 0.217 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.611 |
Highest value | ClF- | clorine monofluoride anion | 2.664 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF- | clorine monofluoride anion | 2.664 | 1 | 2 |
ClF | Chlorine monofluoride | 1.678 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.611 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.725 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.720 | 1 | 2 |
FClO | chlorosyl fluoride | 1.680 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.796 | 1 | 2 |
1.777 | 1 | 3 | ||
1.777 | 1 | 4 | ||
ClFO3 | Perchloryl fluoride | 1.683 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.800 | 1 | 3 |
1.771 | 1 | 4 | ||
1.771 | 1 | 5 | ||
ClF5 | chlorinepentafluoride | 1.866 | 1 | 2 |
1.777 | 1 | 3 | ||
1.777 | 1 | 4 | ||
1.777 | 1 | 5 | ||
1.777 | 1 | 6 |