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Geometry for CHBrCHBr (Ethene, 1,2-dibromo-, (Z)-) 1A1 C2

1910171554
InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1- INChIKey=UWTUEMKLYAGTNQ-UPHRSURJSA-N

B3LYPultrafine/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6640 1.2456   1.2456 0.0000 0.6640
C2 0.0000 -0.6640 1.2456   1.2456 0.0000 -0.6640
Br3 0.0000 1.7366 -0.2757   -0.2757 0.0000 1.7366
Br4 0.0000 -1.7366 -0.2757   -0.2757 0.0000 -1.7366
H5 0.0000 1.2155 2.1773   2.1773 0.0000 1.2155
H6 0.0000 -1.2155 2.1773   2.1773 0.0000 -1.2155
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6
C1 1.3280 1.8614 2.8420 1.0828 2.0978
C2 1.3280 2.8420 1.8614 2.0978 1.0828
Br3 1.8614 2.8420 3.4732 2.5078 3.8383
Br4 2.8420 1.8614 3.4732 3.8383 2.5078
H5 1.0828 2.0978 2.5078 3.8383 2.4310
H6 2.0978 1.0828 3.8383 2.5078 2.4310
Maximum atom distance is 3.8383Å between atoms Br3 and H6.
picture of Ethene, 1,2-dibromo-, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Br4 125.186 C2 C1 Br3 125.186
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.621 C2 C1 H5 120.621
Br3 C1 H5 114.193 Br4 C2 H6 114.193

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