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Geometry for C2H2ClF (1-chloro-1-fluoroethylene) 1A' CS

1910171554
1S/C2H2ClF/c1-2(3)4/h1H2 INChIKey=FPBWSPZHCJXUBL-UHFFFAOYSA-N

mPW1PW91/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4524 0.0000   0.4477 0.0652 0.0000
C2 -0.9996 1.3088 0.0000   1.4392 -0.8006 0.0000
F3 1.2698 0.8292 0.0000   0.6376 1.3760 0.0000
Cl4 -0.1542 -1.2563 0.0000   -1.2210 -0.3336 0.0000
H5 -0.7920 2.3679 0.0000   2.4573 -0.4426 0.0000
H6 -2.0174 0.9588 0.0000   1.2394 -1.8582 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 Cl4 H5 H6
C1 1.3163 1.3245 1.7156 2.0728 2.0800
C2 1.3163 2.3195 2.7008 1.0792 1.0763
F3 1.3245 2.3195 2.5252 2.5726 3.2897
Cl4 1.7156 2.7008 2.5252 3.6798 2.8945
H5 2.0728 1.0792 2.5726 3.6798 1.8674
H6 2.0800 1.0763 3.2897 2.8945 1.8674
Maximum atom distance is 3.6798Å between atoms Cl4 and H5.
picture of 1-chloro-1-fluoroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F3 122.880 C2 C1 Cl4 125.435
F3 C1 Cl4 111.685
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 119.502 C1 C2 H6 120.429
H5 C2 H6 120.069

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