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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

mPW1PW91/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5007 0.0000   0.4968 -0.0622 0.0000
C2 -1.1034 1.2604 0.0000   1.1134 -1.2515 0.0000
F3 1.2703 0.9539 0.0000   1.1045 1.1418 0.0000
Cl4 -0.0999 -1.3124 0.0000   -1.3147 0.0641 0.0000
H5 -1.0184 2.3497 0.0000   2.2049 -1.3026 0.0000
H6 -2.0963 0.8104 0.0000   0.5435 -2.1808 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 Cl4 H5 H6
C1 1.3396 1.3487 1.8159 2.1109 2.1191
C2 1.3396 2.3934 2.7616 1.0926 1.0901
F3 1.3487 2.3934 2.6483 2.6807 3.3697
Cl4 1.8159 2.7616 2.6483 3.7756 2.9142
H5 2.1109 1.0926 2.6807 3.7756 1.8792
H6 2.1191 1.0901 3.3697 2.9142 1.8792
Maximum atom distance is 3.7756Å 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 125.814 C2 C1 Cl4 121.396
F3 C1 Cl4 112.790
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 120.086 C1 C2 H6 121.073
H5 C2 H6 118.841

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