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Geometry for C2HF3 (Trifluoroethylene) 1A' CS

1910171554
InChI=1S/C2HF3/c3-1-2(4)5/h1H INChIKey=MIZLGWKEZAPEFJ-UHFFFAOYSA-N

PBEPBE/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4352 0.0000   0.4344 0.0269 0.0000
C2 -0.7036 -0.6969 0.0000   -0.6520 -0.7454 0.0000
F3 1.3231 0.5120 0.0000   0.4292 1.3522 0.0000
F4 -0.5702 1.6368 0.0000   1.6690 -0.4678 0.0000
F5 -0.0850 -1.8949 0.0000   -1.8860 -0.2021 0.0000
H6 -1.7901 -0.7154 0.0000   -0.6032 -1.8309 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6
C1 1.3330 1.3253 1.3300 2.3317 2.1279
C2 1.3330 2.3599 2.3375 1.3483 1.0866
F3 1.3253 2.3599 2.2022 2.7885 3.3464
F4 1.3300 2.3375 2.2022 3.5649 2.6497
F5 2.3317 1.3483 2.7885 3.5649 2.0733
H6 2.1279 1.0866 3.3464 2.6497 2.0733
Maximum atom distance is 3.5649Å between atoms F4 and F5.
picture of Trifluoroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F5 120.827 C2 C1 F3 125.184
C2 C1 F4 122.755 F3 C1 F4 112.061
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 122.834 F5 C2 H6 116.339

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.