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Geometry for C2ClF3 (Ethene, chlorotrifluoro-) 1A' CS

1910171554
InChI=1S/C2ClF3/c3-1(4)2(5)6 INChIKey=UUAGAQFQZIEFAH-UHFFFAOYSA-N

B3PW91/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6919 -0.6551 0.0000   -0.9344 -0.1865 0.0000
C2 0.0000 0.4787 0.0000   0.2547 0.4053 0.0000
F3 -1.9991 -0.6970 0.0000   -2.0634 0.4736 0.0000
F4 -0.1477 -1.8417 0.0000   -1.1050 -1.4808 0.0000
F5 -0.6139 1.6481 0.0000   0.3572 1.7221 0.0000
Cl6 1.7057 0.5337 0.0000   1.7282 -0.4557 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 Cl6
C1 1.3283 1.3078 1.3055 2.3046 2.6762
C2 1.3283 2.3192 2.3252 1.3207 1.7066
F3 1.3078 2.3192 2.1767 2.7237 3.9039
F4 1.3055 2.3252 2.1767 3.5209 3.0130
F5 2.3046 1.3207 2.7237 3.5209 2.5735
Cl6 2.6762 1.7066 3.9039 3.0130 2.5735
Maximum atom distance is 3.9039Å between atoms F3 and Cl6.
picture of Ethene, chlorotrifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F5 120.908 C1 C2 Cl6 123.240
C2 C1 F3 123.230 C2 C1 F4 123.969
F3 C1 F4 112.801 F5 C2 Cl6 115.852

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