Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD/cc-pCVDZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.67 | 1.68 | 1.69 | 1.70 | 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.721 | 0.029 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF | Chlorine monofluoride | 1.680 |
Highest value | FClO | chlorosyl fluoride | 1.747 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.680 | 1 | 2 |
FClO | chlorosyl fluoride | 1.747 | 1 | 2 |
ClO2F | Chloryl fluoride | 1.734 | 1 | 2 |