Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/cc-pV(D+d)Z
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.76 | 1.77 | 1.77 | 1.77 | 1.77 | 1.77 | 1.78 | 1.78 | 1.78 | 1.78 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.772 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FClO | chlorosyl fluoride | 1.765 |
Highest value | ClO2F | Chloryl fluoride | 1.778 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FClO | chlorosyl fluoride | 1.765 | 1 | 2 |
ClO2F | Chloryl fluoride | 1.778 | 1 | 2 |