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Geometry for C2H3Cl (Ethene, chloro-) 1A' CS

1910171554
InChI=1S/C2H3Cl/c1-2-3/h2H,1H2 INChIKey=BZHJMEDXRYGGRV-UHFFFAOYSA-N

B3LYP/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.7649 0.0000   0.5817 0.4967 0.0000
C2 1.2982 1.0519 0.0000   -0.0431 1.6703 0.0000
Cl3 -0.6281 -0.8698 0.0000   -0.2536 -1.0425 0.0000
H4 -0.7877 1.5098 0.0000   1.6597 0.3815 0.0000
H5 2.0652 0.2848 0.0000   -1.1246 1.7554 0.0000
H6 1.6111 2.0915 0.0000   0.5443 2.5833 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6
C1 1.3296 1.7512 1.0842 2.1203 2.0869
C2 1.3296 2.7210 2.1356 1.0848 1.0856
Cl3 1.7512 2.7210 2.3850 2.9304 3.7126
H4 1.0842 2.1356 2.3850 3.1048 2.4683
H5 2.1203 1.0848 2.9304 3.1048 1.8629
H6 2.0869 1.0856 3.7126 2.4683 1.8629
Maximum atom distance is 3.7126Å between atoms Cl3 and H6.
picture of Ethene, chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Cl3 123.485
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 122.528 C1 C2 H6 119.215
C2 C1 H4 124.133 Cl3 C1 H4 112.382
H5 C2 H6 118.258

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