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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

B3PW91/6-31G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4940 0.5691 0.0000   0.6580 0.3674 0.0000
C2 -0.4940 -0.5691 0.0000   -0.6580 -0.3674 0.0000
Br3 -0.4940 2.2650 0.0000   2.1164 -0.9462 0.0000
Br4 0.4940 -2.2650 0.0000   -2.1164 0.9462 0.0000
H5 1.1169 0.5742 0.8934   0.7902 0.9761 0.8934
H6 1.1169 0.5742 -0.8934   0.7902 0.9761 -0.8934
H7 -1.1169 -0.5742 0.8934   -0.7902 -0.9761 0.8934
H8 -1.1169 -0.5742 -0.8934   -0.7902 -0.9761 -0.8934
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5073 1.9627 2.8342 1.0891 1.0891 2.1681 2.1681
C2 1.5073 2.8342 1.9627 2.1681 2.1681 1.0891 1.0891
Br3 1.9627 2.8342 4.6365 2.5004 2.5004 3.0409 3.0409
Br4 2.8342 1.9627 4.6365 3.0409 3.0409 2.5004 2.5004
H5 1.0891 2.1681 2.5004 3.0409 1.7868 2.5118 3.0825
H6 1.0891 2.1681 2.5004 3.0409 1.7868 3.0825 2.5118
H7 2.1681 1.0891 3.0409 2.5004 2.5118 3.0825 1.7868
H8 2.1681 1.0891 3.0409 2.5004 3.0825 2.5118 1.7868
Maximum atom distance is 4.6365Å 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 108.813 C2 C1 Br3 108.813
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.236 C1 C2 H8 112.236
C2 C1 H5 112.236 C2 C1 H6 112.236
Br3 C1 H5 106.493 Br3 C1 H6 106.493
Br4 C2 H7 106.493 Br4 C2 H8 106.493
H5 C1 H6 110.229 H7 C2 H8 110.229

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