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 |
BLYP/STO-3G
8 | |||||||||||||||||||||||||||||||
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.925 | 0.089 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.727 |
Highest value | ClFO3 | Perchloryl fluoride | 2.059 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.770 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.727 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.832 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.794 | 1 | 2 |
FClO | chlorosyl fluoride | 1.953 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.936 | 1 | 2 |
1.909 | 1 | 3 | ||
1.909 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 2.045 | 1 | 2 |
ClFO3 | Perchloryl fluoride | 2.059 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 2.016 | 1 | 3 |
1.964 | 1 | 4 | ||
1.964 | 1 | 5 | ||
ClF5 | chlorinepentafluoride | 2.002 | 1 | 2 |
1.943 | 1 | 3 | ||
1.943 | 1 | 4 | ||
1.943 | 1 | 5 | ||
1.943 | 1 | 6 |