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Geometry for CHBrCHBr (Ethene, 1,2-dibromo-, (E)-) 1AG C2H

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

CID/6-311+G(3df,2p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3749 0.5387 0.0000   0.5909 -0.2856 0.0000
C2 0.3749 -0.5387 0.0000   -0.5909 0.2856 0.0000
Br3 0.3749 2.2563 0.0000   2.1694 0.7246 0.0000
Br4 -0.3749 -2.2563 0.0000   -2.1694 -0.7246 0.0000
H5 -1.4467 0.5211 0.0000   0.7418 -1.3469 0.0000
H6 1.4467 -0.5211 0.0000   -0.7418 1.3469 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6
C1 1.3125 1.8741 2.7950 1.0720 2.1074
C2 1.3125 2.7950 1.8741 2.1074 1.0720
Br3 1.8741 2.7950 4.5745 2.5158 2.9770
Br4 2.7950 1.8741 4.5745 2.9770 2.5158
H5 1.0720 2.1074 2.5158 2.9770 3.0754
H6 2.1074 1.0720 2.9770 2.5158 3.0754
Maximum atom distance is 4.5745Å between atoms Br3 and Br4.
picture of Ethene, 1,2-dibromo-, (E)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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