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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

MP2=FULL/cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4914 0.5766 0.0000   0.6642 0.3644 0.0000
C2 -0.4914 -0.5766 0.0000   -0.6642 -0.3644 0.0000
Br3 -0.4914 2.2599 0.0000   2.1133 -0.9393 0.0000
Br4 0.4914 -2.2599 0.0000   -2.1133 0.9393 0.0000
H5 1.1240 0.5700 0.8978   0.7860 0.9852 0.8978
H6 1.1240 0.5700 -0.8978   0.7860 0.9852 -0.8978
H7 -1.1240 -0.5700 0.8978   -0.7860 -0.9852 0.8978
H8 -1.1240 -0.5700 -0.8978   -0.7860 -0.9852 -0.8978
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5152 1.9493 2.8364 1.0983 1.0983 2.1750 2.1750
C2 1.5152 2.8364 1.9493 2.1750 2.1750 1.0983 1.0983
Br3 1.9493 2.8364 4.6254 2.5043 2.5043 3.0355 3.0355
Br4 2.8364 1.9493 4.6254 3.0355 3.0355 2.5043 2.5043
H5 1.0983 2.1750 2.5043 3.0355 1.7957 2.5206 3.0948
H6 1.0983 2.1750 2.5043 3.0355 1.7957 3.0948 2.5206
H7 2.1750 1.0983 3.0355 2.5043 2.5206 3.0948 1.7957
H8 2.1750 1.0983 3.0355 2.5043 3.0948 2.5206 1.7957
Maximum atom distance is 4.6254Å 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 109.276 C2 C1 Br3 109.276
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.658 C1 C2 H8 111.658
C2 C1 H5 111.658 C2 C1 H6 111.658
Br3 C1 H5 107.193 Br3 C1 H6 107.193
Br4 C2 H7 107.193 Br4 C2 H8 107.193
H5 C1 H6 109.661 H7 C2 H8 109.661

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