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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

B2PLYP/6-31+G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4924 0.5714 0.0000   0.6597 0.3658 0.0000
C2 -0.4924 -0.5714 0.0000   -0.6597 -0.3658 0.0000
Br3 -0.4924 2.2742 0.0000   2.1263 -0.9450 0.0000
Br4 0.4924 -2.2742 0.0000   -2.1263 0.9450 0.0000
H5 1.1141 0.5778 0.8910   0.7924 0.9732 0.8910
H6 1.1141 0.5778 -0.8910   0.7924 0.9732 -0.8910
H7 -1.1141 -0.5778 0.8910   -0.7924 -0.9732 0.8910
H8 -1.1141 -0.5778 -0.8910   -0.7924 -0.9732 -0.8910
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5086 1.9671 2.8456 1.0865 1.0865 2.1669 2.1669
C2 1.5086 2.8456 1.9671 2.1669 2.1669 1.0865 1.0865
Br3 1.9671 2.8456 4.6538 2.5005 2.5005 3.0519 3.0519
Br4 2.8456 1.9671 4.6538 3.0519 3.0519 2.5005 2.5005
H5 1.0865 2.1669 2.5005 3.0519 1.7821 2.5100 3.0783
H6 1.0865 2.1669 2.5005 3.0519 1.7821 3.0783 2.5100
H7 2.1669 1.0865 3.0519 2.5005 2.5100 3.0783 1.7821
H8 2.1669 1.0865 3.0519 2.5005 3.0783 2.5100 1.7821
Maximum atom distance is 4.6538Å 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 109.201 C2 C1 Br3 109.201
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.209 C1 C2 H8 112.209
C2 C1 H5 112.209 C2 C1 H6 112.209
Br3 C1 H5 106.343 Br3 C1 H6 106.343
Br4 C2 H7 106.343 Br4 C2 H8 106.343
H5 C1 H6 110.189 H7 C2 H8 110.189

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