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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/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4799 0.0000   -0.0031 -0.4799 0.0000
C2 1.0213 -0.3661 0.0000   -1.0190 0.3726 0.0000
Cl3 -1.6334 -0.0968 0.0000   1.6340 0.0864 0.0000
F4 2.2846 0.0951 0.0000   -2.2852 -0.0806 0.0000
H5 0.1271 1.5507 0.0000   -0.1370 -1.5499 0.0000
H6 0.9521 -1.4436 0.0000   -0.9428 1.4496 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3262 1.7323 2.3168 1.0783 2.1462
C2 1.3262 2.6684 1.3449 2.1152 1.0797
Cl3 1.7323 2.6684 3.9228 2.4112 2.9152
F4 2.3168 1.3449 3.9228 2.6026 2.0355
H5 1.0783 2.1152 2.4112 2.6026 3.1059
H6 2.1462 1.0797 2.9152 2.0355 3.1059
Maximum atom distance is 3.9228Å 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 120.303 C2 C1 Cl3 120.914
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 125.960 C2 C1 H5 122.869
Cl3 C1 H5 116.216 F4 C2 H6 113.737

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