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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

wB97X-D/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4972 0.5693 0.0000   0.4565 0.6024 0.0000
C2 -0.4972 -0.5693 0.0000   -0.4565 -0.6024 0.0000
Br3 -0.4972 2.2894 0.0000   2.3427 -0.0221 0.0000
Br4 0.4972 -2.2894 0.0000   -2.3427 0.0221 0.0000
H5 1.1171 0.5652 0.8939   0.3267 1.2085 0.8939
H6 1.1171 0.5652 -0.8939   0.3267 1.2085 -0.8939
H7 -1.1171 -0.5652 0.8939   -0.3267 -1.2085 0.8939
H8 -1.1171 -0.5652 -0.8939   -0.3267 -1.2085 -0.8939
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5117 1.9869 2.8587 1.0877 1.0877 2.1661 2.1661
C2 1.5117 2.8587 1.9869 2.1661 2.1661 1.0877 1.0877
Br3 1.9869 2.8587 4.6856 2.5254 2.5254 3.0549 3.0549
Br4 2.8587 1.9869 4.6856 3.0549 3.0549 2.5254 2.5254
H5 1.0877 2.1661 2.5254 3.0549 1.7877 2.5038 3.0765
H6 1.0877 2.1661 2.5254 3.0549 1.7877 3.0765 2.5038
H7 2.1661 1.0877 3.0549 2.5254 2.5038 3.0765 1.7877
H8 2.1661 1.0877 3.0549 2.5254 3.0765 2.5038 1.7877
Maximum atom distance is 4.6856Å 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 108.832 C2 C1 Br3 108.832
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.841 C1 C2 H8 111.841
C2 C1 H5 111.841 C2 C1 H6 111.841
Br3 C1 H5 106.765 Br3 C1 H6 106.765
Br4 C2 H7 106.765 Br4 C2 H8 106.765
H5 C1 H6 110.522 H7 C2 H8 110.522

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