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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

PBEPBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5256 0.0000   0.0382 0.5242 0.0000
C2 1.0543 -0.2897 0.0000   1.0305 -0.3656 0.0000
Cl3 -1.6718 -0.1977 0.0000   -1.6817 -0.0756 0.0000
F4 2.3440 0.1903 0.0000   2.3516 0.0194 0.0000
H5 0.0268 1.6112 0.0000   0.1439 1.6050 0.0000
H6 0.9718 -1.3785 0.0000   0.8690 -1.4455 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3328 1.8216 2.3678 1.0860 2.1378
C2 1.3328 2.7277 1.3761 2.1608 1.0920
Cl3 1.8216 2.7277 4.0345 2.4814 2.8953
F4 2.3678 1.3761 4.0345 2.7181 2.0843
H5 1.0860 2.1608 2.4814 2.7181 3.1356
H6 2.1378 1.0920 2.8953 2.0843 3.1356
Maximum atom distance is 4.0345Å 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 121.873 C2 C1 Cl3 118.890
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 123.378 C2 C1 H5 126.298
Cl3 C1 H5 114.811 F4 C2 H6 114.749

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