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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

PBE1PBE/6-311G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4908 0.5697 0.0000   0.4584 0.5961 0.0000
C2 -0.4908 -0.5697 0.0000   -0.4584 -0.5961 0.0000
Br3 -0.4908 2.2600 0.0000   2.3126 -0.0225 0.0000
Br4 0.4908 -2.2600 0.0000   -2.3126 0.0225 0.0000
H5 1.1141 0.5747 0.8917   0.3369 1.2075 0.8917
H6 1.1141 0.5747 -0.8917   0.3369 1.2075 -0.8917
H7 -1.1141 -0.5747 0.8917   -0.3369 -1.2075 0.8917
H8 -1.1141 -0.5747 -0.8917   -0.3369 -1.2075 -0.8917
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5039 1.9547 2.8297 1.0880 1.0880 2.1635 2.1635
C2 1.5039 2.8297 1.9547 2.1635 2.1635 1.0880 1.0880
Br3 1.9547 2.8297 4.6254 2.4922 2.4922 3.0363 3.0363
Br4 2.8297 1.9547 4.6254 3.0363 3.0363 2.4922 2.4922
H5 1.0880 2.1635 2.4922 3.0363 1.7834 2.5073 3.0768
H6 1.0880 2.1635 2.4922 3.0363 1.7834 3.0768 2.5073
H7 2.1635 1.0880 3.0363 2.4922 2.5073 3.0768 1.7834
H8 2.1635 1.0880 3.0363 2.4922 3.0768 2.5073 1.7834
Maximum atom distance is 4.6254Å 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 109.107 C2 C1 Br3 109.107
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.176 C1 C2 H8 112.176
C2 C1 H5 112.176 C2 C1 H6 112.176
Br3 C1 H5 106.482 Br3 C1 H6 106.482
Br4 C2 H7 106.482 Br4 C2 H8 106.482
H5 C1 H6 110.092 H7 C2 H8 110.092

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