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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/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4861 0.5762 0.0000   0.6632 0.3584 0.0000
C2 -0.4861 -0.5762 0.0000   -0.6632 -0.3584 0.0000
Br3 -0.4861 2.2076 0.0000   2.0622 -0.9259 0.0000
Br4 0.4861 -2.2076 0.0000   -2.0622 0.9259 0.0000
H5 1.1170 0.5534 0.8842   0.7695 0.9808 0.8842
H6 1.1170 0.5534 -0.8842   0.7695 0.9808 -0.8842
H7 -1.1170 -0.5534 0.8842   -0.7695 -0.9808 0.8842
H8 -1.1170 -0.5534 -0.8842   -0.7695 -0.9808 -0.8842
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5077 1.8990 2.7839 1.0865 1.0865 2.1512 2.1512
C2 1.5077 2.7839 1.8990 2.1512 2.1512 1.0865 1.0865
Br3 1.8990 2.7839 4.5210 2.4674 2.4674 2.9670 2.9670
Br4 2.7839 1.8990 4.5210 2.9670 2.9670 2.4674 2.4674
H5 1.0865 2.1512 2.4674 2.9670 1.7684 2.4932 3.0567
H6 1.0865 2.1512 2.4674 2.9670 1.7684 3.0567 2.4932
H7 2.1512 1.0865 2.9670 2.4674 2.4932 3.0567 1.7684
H8 2.1512 1.0865 2.9670 2.4674 3.0567 2.4932 1.7684
Maximum atom distance is 4.5210Å 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 109.063 C2 C1 Br3 109.063
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.002 C1 C2 H8 111.002
C2 C1 H5 111.002 C2 C1 H6 111.002
Br3 C1 H5 108.380 Br3 C1 H6 108.380
Br4 C2 H7 108.380 Br4 C2 H8 108.380
H5 C1 H6 108.940 H7 C2 H8 108.940

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