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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

BLYP/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4785 0.0000   -0.0167 -0.4782 0.0000
C2 1.0411 -0.3524 0.0000   -1.0281 0.3886 0.0000
Cl3 -1.6572 -0.1265 0.0000   1.6606 0.0685 0.0000
F4 2.3143 0.1415 0.0000   -2.3179 -0.0605 0.0000
H5 0.0933 1.5602 0.0000   -0.1478 -1.5560 0.0000
H6 1.0042 -1.4393 0.0000   -0.9532 1.4736 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3320 1.7642 2.3387 1.0858 2.1648
C2 1.3320 2.7077 1.3657 2.1346 1.0875
Cl3 1.7642 2.7077 3.9806 2.4309 2.9676
F4 2.3387 1.3657 3.9806 2.6355 2.0532
H5 1.0858 2.1346 2.4309 2.6355 3.1348
H6 2.1648 1.0875 2.9676 2.0532 3.1348
Maximum atom distance is 3.9806Å 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 120.207 C2 C1 Cl3 121.353
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 126.647 C2 C1 H5 123.665
Cl3 C1 H5 114.982 F4 C2 H6 113.146

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