return to home page 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

Compare Calculated Bonds for F-C

17 01 10 14 40

B1B95/CEP-31G

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.90 are in the 1.90 bin. Values less than 1.30 are in the 1.30 bin.

histogram chart 40 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 35 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 30 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 25 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 20 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 15 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 10 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 5 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 0 line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line histogram chart line line line line
1.30 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.390 0.061

  Species Name Bond Length (Å)
Lowest value FCN Cyanogen fluoride 1.314
Highest value CHF2Cl difluorochloromethane 1.834

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CF Fluoromethylidyne 1.355 1 2
CH3F Methyl fluoride 1.435 1 2
FCN Cyanogen fluoride 1.314 1 2
CF2 Difluoromethylene 1.372 1 2
    1.372 1 3
HFCO formyl fluoride 1.404 1 3
HCCF Fluoroacetylene 1.326 1 3
CH2F2 Methane, difluoro- 1.410 1 4
    1.410 1 5
CH2FCl fluorochloromethane 1.412 1 2
CH2CHF Ethene, fluoro- 1.397 1 3
C2H5F fluoroethane 1.449 1 3
CF2O Carbonic difluoride 1.371 2 3
    1.371 2 4
C2F2 difluoroacetylene 1.329 1 3
    1.329 2 4
CF3 Trifluoromethyl radical 1.370 1 2
    1.370 1 3
    1.370 1 4
CHF3 Methane, trifluoro- 1.388 1 3
    1.388 1 4
    1.388 1 5
CHFCl2 fluorodichloromethane 1.400 1 3
CHF2Cl difluorochloromethane 1.834 1 3
    1.394 1 4
CH2CF2 Ethene, 1,1-difluoro- 1.372 2 5
    1.372 2 6
C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1.385 1 3
    1.385 2 4
C2H2F2 Ethene, 1,2-difluoro-, (E)- 1.390 1 3
    1.390 2 4
CH3COF Acetyl fluoride 1.425 1 4
CH3CHF2 Ethane, 1,1-difluoro- 1.422 1 4
    1.422 1 5
CH3CHFCl Ethane, 1-chloro-1-fluoro- 1.423 1 4
CF4 Carbon tetrafluoride 1.374 1 2
    1.374 1 3
    1.374 1 4
    1.374 1 5
CFCl3 Trichloromonofluoromethane 1.398 1 2
CF2Cl2 difluorodichloromethane 1.390 1 2
    1.390 1 3
CF3Cl Methane, chlorotrifluoro- 1.383 1 3
    1.383 1 4
    1.383 1 5
C2HF3 Trifluoroethylene 1.363 1 3
    1.369 1 4
    1.382 2 5
CH3CF3 Ethane, 1,1,1-trifluoro- 1.401 2 6
    1.401 2 7
    1.401 2 8
C2F4 Tetrafluoroethylene 1.362 1 3
    1.362 1 4
    1.362 2 5
    1.362 2 6
CF3CN Acetonitrile, trifluoro- 1.389 1 4
    1.389 1 5
    1.389 1 6
C2F6 hexafluoroethane 1.381 1 3
    1.381 1 4
    1.381 1 5
    1.381 2 6
    1.381 2 7
    1.381 2 8