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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 0.4994 0.5749 0.0000   0.6643 0.3723 0.0000
C2 -0.4994 -0.5749 0.0000   -0.6643 -0.3723 0.0000
Br3 -0.4994 2.3241 0.0000   2.1743 -0.9609 0.0000
Br4 0.4994 -2.3241 0.0000   -2.1743 0.9609 0.0000
H5 1.1226 0.5689 0.8956   0.7849 0.9837 0.8956
H6 1.1226 0.5689 -0.8956   0.7849 0.9837 -0.8956
H7 -1.1226 -0.5689 0.8956   -0.7849 -0.9837 0.8956
H8 -1.1226 -0.5689 -0.8956   -0.7849 -0.9837 -0.8956
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5231 2.0142 2.8990 1.0911 1.0911 2.1775 2.1775
C2 1.5231 2.8990 2.0142 2.1775 2.1775 1.0911 1.0911
Br3 2.0142 2.8990 4.7542 2.5522 2.5522 3.0918 3.0918
Br4 2.8990 2.0142 4.7542 3.0918 3.0918 2.5522 2.5522
H5 1.0911 2.1775 2.5522 3.0918 1.7913 2.5170 3.0893
H6 1.0911 2.1775 2.5522 3.0918 1.7913 3.0893 2.5170
H7 2.1775 1.0911 3.0918 2.5522 2.5170 3.0893 1.7913
H8 2.1775 1.0911 3.0918 2.5522 3.0893 2.5170 1.7913
Maximum atom distance is 4.7542Å 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 109.293 C2 C1 Br3 109.293
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.737 C1 C2 H8 111.737
C2 C1 H5 111.737 C2 C1 H6 111.737
Br3 C1 H5 106.741 Br3 C1 H6 106.741
Br4 C2 H7 106.741 Br4 C2 H8 106.741
H5 C1 H6 110.337 H7 C2 H8 110.337

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