Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/cc-pCVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.662 | 0.039 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF5 | chlorinepentafluoride | 1.596 |
Highest value | ClO2F | Chloryl fluoride | 1.717 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.629 | 1 | 2 |
FClO | chlorosyl fluoride | 1.704 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.597 | 1 | 2 |
1.695 | 1 | 3 | ||
1.695 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.717 | 1 | 2 |
ClF5 | chlorinepentafluoride | 1.596 | 1 | 2 |
1.661 | 1 | 3 | ||
1.661 | 1 | 4 | ||
1.661 | 1 | 5 | ||
1.661 | 1 | 6 |