Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/cc-pV(D+d)Z
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.750 | 0.049 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF | Chlorine monofluoride | 1.666 |
Highest value | ClO2F | Chloryl fluoride | 1.801 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.666 | 1 | 2 |
FClO | chlorosyl fluoride | 1.791 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.705 | 1 | 2 |
1.769 | 1 | 3 | ||
1.769 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.801 | 1 | 2 |