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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 0.5046 0.5777 0.0000   0.6680 0.3771 0.0000
C2 -0.5046 -0.5777 0.0000   -0.6680 -0.3771 0.0000
Br3 -0.5046 2.2795 0.0000   2.1300 -0.9559 0.0000
Br4 0.5046 -2.2795 0.0000   -2.1300 0.9559 0.0000
H5 1.1256 0.5696 0.8990   0.7858 0.9869 0.8990
H6 1.1256 0.5696 -0.8990   0.7858 0.9869 -0.8990
H7 -1.1256 -0.5696 0.8990   -0.7858 -0.9869 0.8990
H8 -1.1256 -0.5696 -0.8990   -0.7858 -0.9869 -0.8990
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5341 1.9785 2.8573 1.0927 1.0927 2.1868 2.1868
C2 1.5341 2.8573 1.9785 2.1868 2.1868 1.0927 1.0927
Br3 1.9785 2.8573 4.6694 2.5278 2.5278 3.0514 3.0514
Br4 2.8573 1.9785 4.6694 3.0514 3.0514 2.5278 2.5278
H5 1.0927 2.1868 2.5278 3.0514 1.7979 2.5230 3.0981
H6 1.0927 2.1868 2.5278 3.0514 1.7979 3.0981 2.5230
H7 2.1868 1.0927 3.0514 2.5278 2.5230 3.0981 1.7979
H8 2.1868 1.0927 3.0514 2.5278 3.0981 2.5230 1.7979
Maximum atom distance is 4.6694Å 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 108.202 C2 C1 Br3 108.202
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.607 C1 C2 H8 111.607
C2 C1 H5 111.607 C2 C1 H6 111.607
Br3 C1 H5 107.239 Br3 C1 H6 107.239
Br4 C2 H7 107.239 Br4 C2 H8 107.239
H5 C1 H6 110.716 H7 C2 H8 110.716

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