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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

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


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6678 1.2514   1.2514 0.0000 0.6678
C2 0.0000 -0.6678 1.2514   1.2514 0.0000 -0.6678
Br3 0.0000 1.7590 -0.2770   -0.2770 0.0000 1.7590
Br4 0.0000 -1.7590 -0.2770   -0.2770 0.0000 -1.7590
H5 0.0000 1.2134 2.1860   2.1860 0.0000 1.2134
H6 0.0000 -1.2134 2.1860   2.1860 0.0000 -1.2134
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6
C1 1.3356 1.8779 2.8680 1.0822 2.1006
C2 1.3356 2.8680 1.8779 2.1006 1.0822
Br3 1.8779 2.8680 3.5180 2.5227 3.8603
Br4 2.8680 1.8779 3.5180 3.8603 2.5227
H5 1.0822 2.1006 2.5227 3.8603 2.4268
H6 2.1006 1.0822 3.8603 2.5227 2.4268
Maximum atom distance is 3.8603Å 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
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.