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 |
CCD/STO-3G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.35 | 1.36 | 1.37 | 1.38 | 1.39 | 1.40 | 1.41 | 1.42 | 1.43 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.378 | 0.018 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HCCF | Fluoroacetylene | 1.351 |
Highest value | C2H5F | fluoroethane | 1.419 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FCN | Cyanogen fluoride | 1.351 | 1 | 2 |
HFCO | formyl fluoride | 1.383 | 1 | 3 |
HCCF | Fluoroacetylene | 1.351 | 1 | 3 |
C2H5F | fluoroethane | 1.419 | 1 | 3 |
C2F2 | difluoroacetylene | 1.357 | 1 | 3 |
1.357 | 2 | 4 | ||
C2H2F2 | Ethene, 1,2-difluoro-, (Z)- | 1.386 | 1 | 3 |
1.386 | 2 | 4 | ||
C2H2F2 | Ethene, 1,2-difluoro-, (E)- | 1.386 | 1 | 3 |
1.386 | 2 | 4 | ||
C2HF3 | Trifluoroethylene | 1.382 | 1 | 3 |
1.383 | 1 | 4 | ||
1.389 | 2 | 5 |