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Geometry for CHFCHCl ((E)-1-chloro-2-fluoroethene) 1A' CS

1910171554
InChI=1S/C2H2ClF/c3-1-2-4/h1-2H/b2-1+ INChIKey=MTKHTBWXSHYCGS-OWOJBTEDSA-N

MP2=FULL/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4885 0.0000   -0.0026 -0.4885 0.0000
C2 1.0611 -0.3274 0.0000   -1.0594 0.3329 0.0000
Cl3 -1.6891 -0.1848 0.0000   1.6900 0.1760 0.0000
F4 2.3592 0.2241 0.0000   -2.3603 -0.2117 0.0000
H5 0.0546 1.5694 0.0000   -0.0628 -1.5690 0.0000
H6 1.0607 -1.4109 0.0000   -1.0533 1.4164 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3385 1.8183 2.3739 1.0822 2.1755
C2 1.3385 2.7538 1.4103 2.1472 1.0835
Cl3 1.8183 2.7538 4.0688 2.4733 3.0107
F4 2.3739 1.4103 4.0688 2.6685 2.0878
H5 1.0822 2.1472 2.4733 2.6685 3.1455
H6 2.1755 1.0835 3.0107 2.0878 3.1455
Maximum atom distance is 4.0688Å between atoms Cl3 and F4.
picture of (E)-1-chloro-2-fluoroethene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 119.426 C2 C1 Cl3 120.708
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 127.538 C2 C1 H5 124.667
Cl3 C1 H5 114.625 F4 C2 H6 113.036

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