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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/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4383 0.0000   0.4375 0.0254 0.0000
C2 -0.7048 -0.6999 0.0000   -0.6579 -0.7443 0.0000
F3 1.3276 0.5122 0.0000   0.4343 1.3551 0.0000
F4 -0.5779 1.6401 0.0000   1.6709 -0.4818 0.0000
F5 -0.0805 -1.8978 0.0000   -1.8899 -0.1905 0.0000
H6 -1.7943 -0.7206 0.0000   -0.6153 -1.8331 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6
C1 1.3388 1.3297 1.3335 2.3374 2.1360
C2 1.3388 2.3665 2.3435 1.3508 1.0896
F3 1.3297 2.3665 2.2143 2.7912 3.3565
F4 1.3335 2.3435 2.2143 3.5727 2.6556
F5 2.3374 1.3508 2.7912 3.5727 2.0791
H6 2.1360 1.0896 3.3565 2.6556 2.0791
Maximum atom distance is 3.5727Å 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 120.702 C2 C1 F3 124.953
C2 C1 F4 122.551 F3 C1 F4 112.496
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 122.854 F5 C2 H6 116.444

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