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 |
HF/6-31G*
18 | |||||||||||||||||||||||||||||||
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 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.694 | 0.299 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.530 |
Highest value | ClF- | clorine monofluoride anion | 2.944 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF- | clorine monofluoride anion | 2.944 | 1 | 2 |
ClF | Chlorine monofluoride | 1.613 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.530 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.768 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.571 | 1 | 2 |
FClO | chlorosyl fluoride | 1.622 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.579 | 1 | 2 |
1.672 | 1 | 3 | ||
1.672 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.618 | 1 | 2 |
ClFO3 | Perchloryl fluoride | 1.579 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.574 | 1 | 3 |
1.666 | 1 | 4 | ||
1.666 | 1 | 5 | ||
ClF5 | chlorinepentafluoride | 1.590 | 1 | 2 |
1.630 | 1 | 3 | ||
1.630 | 1 | 4 | ||
1.630 | 1 | 5 | ||
1.630 | 1 | 6 |