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Geometry for CHFCHClz ((Z)-1-Chloro-2-fluoroethene) 1A' CS

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

B3LYP/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 0.8646 0.0000   0.0756 -0.8613 0.0000
C2 1.2477 0.4289 0.0000   -1.2054 -0.5363 0.0000
Cl3 -1.3835 -0.1734 0.0000   1.3631 0.2937 0.0000
F4 1.5712 -0.8690 0.0000   -1.6412 0.7283 0.0000
H5 -0.2123 1.9209 0.0000   0.3794 -1.8950 0.0000
H6 2.1048 1.0870 0.0000   -2.0017 -1.2668 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3216 1.7296 2.3397 1.0774 2.1165
C2 1.3216 2.6993 1.3376 2.0875 1.0806
Cl3 1.7296 2.6993 3.0355 2.3996 3.7090
F4 2.3397 1.3376 3.0355 3.3113 2.0274
H5 1.0774 2.0875 2.3996 3.3113 2.4626
H6 2.1165 1.0806 3.7090 2.0274 2.4626
Maximum atom distance is 3.7090Å between atoms Cl3 and H6.
picture of (Z)-1-Chloro-2-fluoroethene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 123.245 C2 C1 Cl3 123.873
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 123.235 C2 C1 H5 120.612
Cl3 C1 H5 115.516 F4 C2 H6 113.520

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