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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/aug-cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4957 0.5732 0.0000   0.4597 0.6024 0.0000
C2 -0.4957 -0.5732 0.0000   -0.4597 -0.6024 0.0000
Br3 -0.4957 2.2618 0.0000   2.3153 -0.0226 0.0000
Br4 0.4957 -2.2618 0.0000   -2.3153 0.0226 0.0000
H5 1.1217 0.5727 0.9008   0.3312 1.2151 0.9008
H6 1.1217 0.5727 -0.9008   0.3312 1.2151 -0.9008
H7 -1.1217 -0.5727 0.9008   -0.3312 -1.2151 0.9008
H8 -1.1217 -0.5727 -0.9008   -0.3312 -1.2151 -0.9008
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5155 1.9581 2.8350 1.0970 1.0970 2.1772 2.1772
C2 1.5155 2.8350 1.9581 2.1772 2.1772 1.0970 1.0970
Br3 1.9581 2.8350 4.6309 2.5061 2.5061 3.0393 3.0393
Br4 2.8350 1.9581 4.6309 3.0393 3.0393 2.5061 2.5061
H5 1.0970 2.1772 2.5061 3.0393 1.8016 2.5188 3.0968
H6 1.0970 2.1772 2.5061 3.0393 1.8016 3.0968 2.5188
H7 2.1772 1.0970 3.0393 2.5061 2.5188 3.0968 1.8016
H8 2.1772 1.0970 3.0393 2.5061 3.0968 2.5188 1.8016
Maximum atom distance is 4.6309Å 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 108.732 C2 C1 Br3 108.732
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.897 C1 C2 H8 111.897
C2 C1 H5 111.897 C2 C1 H6 111.897
Br3 C1 H5 106.816 Br3 C1 H6 106.816
Br4 C2 H7 106.816 Br4 C2 H8 106.816
H5 C1 H6 110.408 H7 C2 H8 110.408

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