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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

B1B95/6-31G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4926 0.5680 0.0000   0.6579 0.3638 0.0000
C2 -0.4926 -0.5680 0.0000   -0.6579 -0.3638 0.0000
Br3 -0.4926 2.2523 0.0000   2.1009 -0.9496 0.0000
Br4 0.4926 -2.2523 0.0000   -2.1009 0.9496 0.0000
H5 1.1155 0.5695 0.8908   0.7887 0.9729 0.8908
H6 1.1155 0.5695 -0.8908   0.7887 0.9729 -0.8908
H7 -1.1155 -0.5695 0.8908   -0.7887 -0.9729 0.8908
H8 -1.1155 -0.5695 -0.8908   -0.7887 -0.9729 -0.8908
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5037 1.9512 2.8203 1.0870 1.0870 2.1618 2.1618
C2 1.5037 2.8203 1.9512 2.1618 2.1618 1.0870 1.0870
Br3 1.9512 2.8203 4.6110 2.4922 2.4922 3.0239 3.0239
Br4 2.8203 1.9512 4.6110 3.0239 3.0239 2.4922 2.4922
H5 1.0870 2.1618 2.4922 3.0239 1.7815 2.5049 3.0738
H6 1.0870 2.1618 2.4922 3.0239 1.7815 3.0738 2.5049
H7 2.1618 1.0870 3.0239 2.4922 2.5049 3.0738 1.7815
H8 2.1618 1.0870 3.0239 2.4922 3.0738 2.5049 1.7815
Maximum atom distance is 4.6110Å 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 108.747 C2 C1 Br3 108.747
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.114 C1 C2 H8 112.114
C2 C1 H5 112.114 C2 C1 H6 112.114
Br3 C1 H5 106.750 Br3 C1 H6 106.750
Br4 C2 H7 106.750 Br4 C2 H8 106.750
H5 C1 H6 110.067 H7 C2 H8 110.067

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