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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

PBEPBE/6-31G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5104 0.5538 0.0000   0.6478 0.3841 0.0000
C2 -0.5104 -0.5538 0.0000   -0.6478 -0.3841 0.0000
Br3 -0.5104 2.3059 0.0000   2.1494 -0.9788 0.0000
Br4 0.5104 -2.3059 0.0000   -2.1494 0.9788 0.0000
H5 1.1302 0.5689 0.9047   0.7915 0.9872 0.9047
H6 1.1302 0.5689 -0.9047   0.7915 0.9872 -0.9047
H7 -1.1302 -0.5689 0.9047   -0.7915 -0.9872 0.9047
H8 -1.1302 -0.5689 -0.9047   -0.7915 -0.9872 -0.9047
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5063 2.0278 2.8597 1.0968 1.0968 2.1842 2.1842
C2 1.5063 2.8597 2.0278 2.1842 2.1842 1.0968 1.0968
Br3 2.0278 2.8597 4.7235 2.5549 2.5549 3.0769 3.0769
Br4 2.8597 2.0278 4.7235 3.0769 3.0769 2.5549 2.5549
H5 1.0968 2.1842 2.5549 3.0769 1.8095 2.5306 3.1110
H6 1.0968 2.1842 2.5549 3.0769 1.8095 3.1110 2.5306
H7 2.1842 1.0968 3.0769 2.5549 2.5306 3.1110 1.8095
H8 2.1842 1.0968 3.0769 2.5549 3.1110 2.5306 1.8095
Maximum atom distance is 4.7235Å 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 107.106 C2 C1 Br3 107.106
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 113.147 C1 C2 H8 113.147
C2 C1 H5 113.147 C2 C1 H6 113.147
Br3 C1 H5 105.819 Br3 C1 H6 105.819
Br4 C2 H7 105.819 Br4 C2 H8 105.819
H5 C1 H6 111.159 H7 C2 H8 111.159

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