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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/aug-cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4878 0.5668 0.0000   0.6547 0.3614 0.0000
C2 -0.4878 -0.5668 0.0000   -0.6547 -0.3614 0.0000
Br3 -0.4878 2.2217 0.0000   2.0747 -0.9325 0.0000
Br4 0.4878 -2.2217 0.0000   -2.0747 0.9325 0.0000
H5 1.1091 0.5571 0.8858   0.7725 0.9715 0.8858
H6 1.1091 0.5571 -0.8858   0.7725 0.9715 -0.8858
H7 -1.1091 -0.5571 0.8858   -0.7725 -0.9715 0.8858
H8 -1.1091 -0.5571 -0.8858   -0.7725 -0.9715 -0.8858
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.4956 1.9212 2.7885 1.0820 1.0820 2.1443 2.1443
C2 1.4956 2.7885 1.9212 2.1443 2.1443 1.0820 1.0820
Br3 1.9212 2.7885 4.5493 2.4710 2.4710 2.9821 2.9821
Br4 2.7885 1.9212 4.5493 2.9821 2.9821 2.4710 2.4710
H5 1.0820 2.1443 2.4710 2.9821 1.7716 2.4824 3.0497
H6 1.0820 2.1443 2.4710 2.9821 1.7716 3.0497 2.4824
H7 2.1443 1.0820 2.9821 2.4710 2.4824 3.0497 1.7716
H8 2.1443 1.0820 2.9821 2.4710 3.0497 2.4824 1.7716
Maximum atom distance is 4.5493Å 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 108.758 C2 C1 Br3 108.758
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.583 C1 C2 H8 111.583
C2 C1 H5 111.583 C2 C1 H6 111.583
Br3 C1 H5 107.414 Br3 C1 H6 107.414
Br4 C2 H7 107.414 Br4 C2 H8 107.414
H5 C1 H6 109.903 H7 C2 H8 109.903

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