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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

CCD/3-21G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5034 0.5779 0.0000   0.6678 0.3762 0.0000
C2 -0.5034 -0.5779 0.0000   -0.6678 -0.3762 0.0000
Br3 -0.5034 2.2775 0.0000   2.1288 -0.9534 0.0000
Br4 0.5034 -2.2775 0.0000   -2.1288 0.9534 0.0000
H5 1.1248 0.5690 0.8982   0.7846 0.9865 0.8982
H6 1.1248 0.5690 -0.8982   0.7846 0.9865 -0.8982
H7 -1.1248 -0.5690 0.8982   -0.7846 -0.9865 0.8982
H8 -1.1248 -0.5690 -0.8982   -0.7846 -0.9865 -0.8982
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5329 1.9755 2.8555 1.0922 1.0922 2.1848 2.1848
C2 1.5329 2.8555 1.9755 2.1848 2.1848 1.0922 1.0922
Br3 1.9755 2.8555 4.6650 2.5253 2.5253 3.0488 3.0488
Br4 2.8555 1.9755 4.6650 3.0488 3.0488 2.5253 2.5253
H5 1.0922 2.1848 2.5253 3.0488 1.7964 2.5210 3.0955
H6 1.0922 2.1848 2.5253 3.0488 1.7964 3.0955 2.5210
H7 2.1848 1.0922 3.0488 2.5253 2.5210 3.0955 1.7964
H8 2.1848 1.0922 3.0488 2.5253 3.0955 2.5210 1.7964
Maximum atom distance is 4.6650Å 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 108.297 C2 C1 Br3 108.297
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.561 C1 C2 H8 111.561
C2 C1 H5 111.561 C2 C1 H6 111.561
Br3 C1 H5 107.277 Br3 C1 H6 107.277
Br4 C2 H7 107.277 Br4 C2 H8 107.277
H5 C1 H6 110.649 H7 C2 H8 110.649

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