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Geometry for C2H2ClF (1-chloro-1-fluoroethylene) 1A' CS

1910171554
1S/C2H2ClF/c1-2(3)4/h1H2 INChIKey=FPBWSPZHCJXUBL-UHFFFAOYSA-N

B3PW91/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5030 0.0000   0.4992 -0.0618 0.0000
C2 -1.1075 1.2630 0.0000   1.1174 -1.2543 0.0000
F3 1.2721 0.9580 0.0000   1.1071 1.1447 0.0000
Cl4 -0.0987 -1.3167 0.0000   -1.3188 0.0638 0.0000
H5 -1.0243 2.3543 0.0000   2.2106 -1.3059 0.0000
H6 -2.1014 0.8110 0.0000   0.5466 -2.1851 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 Cl4 H5 H6
C1 1.3432 1.3510 1.8223 2.1158 2.1238
C2 1.3432 2.3990 2.7699 1.0945 1.0919
F3 1.3510 2.3990 2.6558 2.6876 3.3767
Cl4 1.8223 2.7699 2.6558 3.7859 2.9219
H5 2.1158 1.0945 2.6876 3.7859 1.8820
H6 2.1238 1.0919 3.3767 2.9219 1.8820
Maximum atom distance is 3.7859Å between atoms Cl4 and H5.
picture of 1-chloro-1-fluoroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F3 125.856 C2 C1 Cl4 121.357
F3 C1 Cl4 112.787
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 120.106 C1 C2 H6 121.081
H5 C2 H6 118.813

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