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Geometry for C2HF3 (Trifluoroethylene) 1A' CS

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

wB97X-D/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4334 0.0000   0.4323 0.0303 0.0000
C2 -0.7096 -0.6847 0.0000   -0.6334 -0.7557 0.0000
F3 1.3192 0.4899 0.0000   0.3964 1.3503 0.0000
F4 -0.5456 1.6370 0.0000   1.6712 -0.4298 0.0000
F5 -0.1017 -1.8797 0.0000   -1.8680 -0.2329 0.0000
H6 -1.7902 -0.7168 0.0000   -0.5898 -1.8360 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6
C1 1.3242 1.3205 1.3215 2.3153 2.1278
C2 1.3242 2.3443 2.3275 1.3408 1.0811
F3 1.3205 2.3443 2.1894 2.7630 3.3354
F4 1.3215 2.3275 2.1894 3.5447 2.6626
F5 2.3153 1.3408 2.7630 3.5447 2.0502
H6 2.1278 1.0811 3.3354 2.6626 2.0502
Maximum atom distance is 3.5447Å 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 120.639 C2 C1 F3 124.854
C2 C1 F4 123.216 F3 C1 F4 111.931
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 124.105 F5 C2 H6 115.256

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