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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

M06-2X/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5020 0.5656 0.0000   0.6567 0.3752 0.0000
C2 -0.5020 -0.5656 0.0000   -0.6567 -0.3752 0.0000
Br3 -0.5020 2.2935 0.0000   2.1415 -0.9624 0.0000
Br4 0.5020 -2.2935 0.0000   -2.1415 0.9624 0.0000
H5 1.1203 0.5613 0.8950   0.7794 0.9811 0.8950
H6 1.1203 0.5613 -0.8950   0.7794 0.9811 -0.8950
H7 -1.1203 -0.5613 0.8950   -0.7794 -0.9811 0.8950
H8 -1.1203 -0.5613 -0.8950   -0.7794 -0.9811 -0.8950
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5126 1.9984 2.8591 1.0878 1.0878 2.1686 2.1686
C2 1.5126 2.8591 1.9984 2.1686 2.1686 1.0878 1.0878
Br3 1.9984 2.8591 4.6956 2.5364 2.5364 3.0550 3.0550
Br4 2.8591 1.9984 4.6956 3.0550 3.0550 2.5364 2.5364
H5 1.0878 2.1686 2.5364 3.0550 1.7899 2.5061 3.0796
H6 1.0878 2.1686 2.5364 3.0550 1.7899 3.0796 2.5061
H7 2.1686 1.0878 3.0550 2.5364 2.5061 3.0796 1.7899
H8 2.1686 1.0878 3.0550 2.5364 3.0796 2.5061 1.7899
Maximum atom distance is 4.6956Å 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 108.246 C2 C1 Br3 108.246
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.983 C1 C2 H8 111.983
C2 C1 H5 111.983 C2 C1 H6 111.983
Br3 C1 H5 106.800 Br3 C1 H6 106.800
Br4 C2 H7 106.800 Br4 C2 H8 106.800
H5 C1 H6 110.722 H7 C2 H8 110.722

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