Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
wB97X-D/3-21G*
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
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 |
---|---|
1.690 | 0.079 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.552 |
Highest value | ClF- | clorine monofluoride anion | 1.959 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF- | clorine monofluoride anion | 1.959 | 1 | 2 |
ClF | Chlorine monofluoride | 1.655 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.552 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.786 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.637 | 1 | 2 |
FClO | chlorosyl fluoride | 1.719 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.660 | 1 | 2 |
1.716 | 1 | 3 | ||
1.716 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.705 | 1 | 2 |
ClFO3 | Perchloryl fluoride | 1.657 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.658 | 1 | 3 |
1.713 | 1 | 4 | ||
1.713 | 1 | 5 | ||
ClF5 | chlorinepentafluoride | 1.626 | 1 | 2 |
1.661 | 1 | 3 | ||
1.661 | 1 | 4 | ||
1.661 | 1 | 5 | ||
1.661 | 1 | 6 |