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Geometry for CH2BrCH2Br (Ethane, 1,2-dibromo-) 1Ag C2H

1910171554
InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2 INChIKey=PAAZPARNPHGIKF-UHFFFAOYSA-N

B3LYPultrafine/6-31G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4969 0.5682 0.0000   0.4553 0.6021 0.0000
C2 -0.4969 -0.5682 0.0000   -0.4553 -0.6021 0.0000
Br3 -0.4969 2.2830 0.0000   2.3364 -0.0223 0.0000
Br4 0.4969 -2.2830 0.0000   -2.3364 0.0223 0.0000
H5 1.1180 0.5764 0.8936   0.3370 1.2119 0.8936
H6 1.1180 0.5764 -0.8936   0.3370 1.2119 -0.8936
H7 -1.1180 -0.5764 0.8936   -0.3370 -1.2119 0.8936
H8 -1.1180 -0.5764 -0.8936   -0.3370 -1.2119 -0.8936
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5096 1.9820 2.8512 1.0882 1.0882 2.1717 2.1717
C2 1.5096 2.8512 1.9820 2.1717 2.1717 1.0882 1.0882
Br3 1.9820 2.8512 4.6729 2.5137 2.5137 3.0595 3.0595
Br4 2.8512 1.9820 4.6729 3.0595 3.0595 2.5137 2.5137
H5 1.0882 2.1717 2.5137 3.0595 1.7871 2.5157 3.0858
H6 1.0882 2.1717 2.5137 3.0595 1.7871 3.0858 2.5157
H7 2.1717 1.0882 3.0595 2.5137 2.5157 3.0858 1.7871
H8 2.1717 1.0882 3.0595 2.5137 3.0858 2.5157 1.7871
Maximum atom distance is 4.6729Å between atoms Br3 and Br4.
picture of Ethane, 1,2-dibromo-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Br4 108.734 C2 C1 Br3 108.734
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.421 C1 C2 H8 112.421
C2 C1 H5 112.421 C2 C1 H6 112.421
Br3 C1 H5 106.239 Br3 C1 H6 106.239
Br4 C2 H7 106.239 Br4 C2 H8 106.239
H5 C1 H6 110.391 H7 C2 H8 110.391

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