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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/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8253 0.0000   0.6273 0.5363 0.0000
C2 1.2927 1.0848 0.0000   -0.0155 1.6875 0.0000
Cl3 -0.6249 -0.9067 0.0000   -0.2830 -1.0642 0.0000
H4 -0.8114 1.5365 0.0000   1.6951 0.3817 0.0000
H5 2.0414 0.3023 0.0000   -1.0968 1.7480 0.0000
H6 1.6372 2.1141 0.0000   0.5429 2.6182 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6
C1 1.3185 1.8412 1.0790 2.1073 2.0836
C2 1.3185 2.7646 2.1521 1.0829 1.0854
Cl3 1.8412 2.7646 2.4503 2.9276 3.7738
H4 1.0790 2.1521 2.4503 3.1083 2.5158
H5 2.1073 1.0829 2.9276 3.1083 1.8562
H6 2.0836 1.0854 3.7738 2.5158 1.8562
Maximum atom distance is 3.7738Å 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 121.193
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 122.381 C1 C2 H6 119.859
C2 C1 H4 127.414 Cl3 C1 H4 111.393
H5 C2 H6 117.760

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