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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

QCISD/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5020 0.5735 0.0000   0.6638 0.3745 0.0000
C2 -0.5020 -0.5735 0.0000   -0.6638 -0.3745 0.0000
Br3 -0.5020 2.3281 0.0000   2.1768 -0.9661 0.0000
Br4 0.5020 -2.3281 0.0000   -2.1768 0.9661 0.0000
H5 1.1237 0.5703 0.8971   0.7874 0.9838 0.8971
H6 1.1237 0.5703 -0.8971   0.7874 0.9838 -0.8971
H7 -1.1237 -0.5703 0.8971   -0.7874 -0.9838 0.8971
H8 -1.1237 -0.5703 -0.8971   -0.7874 -0.9838 -0.8971
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5243 2.0215 2.9016 1.0914 1.0914 2.1808 2.1808
C2 1.5243 2.9016 2.0215 2.1808 2.1808 1.0914 1.0914
Br3 2.0215 2.9016 4.7632 2.5568 2.5568 3.0971 3.0971
Br4 2.9016 2.0215 4.7632 3.0971 3.0971 2.5568 2.5568
H5 1.0914 2.1808 2.5568 3.0971 1.7941 2.5202 3.0936
H6 1.0914 2.1808 2.5568 3.0971 1.7941 3.0936 2.5202
H7 2.1808 1.0914 3.0971 2.5568 2.5202 3.0936 1.7941
H8 2.1808 1.0914 3.0971 2.5568 3.0936 2.5202 1.7941
Maximum atom distance is 4.7632Å 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 109.025 C2 C1 Br3 109.025
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.900 C1 C2 H8 111.900
C2 C1 H5 111.900 C2 C1 H6 111.900
Br3 C1 H5 106.583 Br3 C1 H6 106.583
Br4 C2 H7 106.583 Br4 C2 H8 106.583
H5 C1 H6 110.555 H7 C2 H8 110.555

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