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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

MP2=FULL/3-21G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5040 0.5744 0.0000   0.6649 0.3766 0.0000
C2 -0.5040 -0.5744 0.0000   -0.6649 -0.3766 0.0000
Br3 -0.5040 2.2691 0.0000   2.1192 -0.9550 0.0000
Br4 0.5040 -2.2691 0.0000   -2.1192 0.9550 0.0000
H5 1.1225 0.5661 0.8967   0.7826 0.9839 0.8967
H6 1.1225 0.5661 -0.8967   0.7826 0.9839 -0.8967
H7 -1.1225 -0.5661 0.8967   -0.7826 -0.9839 0.8967
H8 -1.1225 -0.5661 -0.8967   -0.7826 -0.9839 -0.8967
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5283 1.9718 2.8435 1.0894 1.0894 2.1795 2.1795
C2 1.5283 2.8435 1.9718 2.1795 2.1795 1.0894 1.0894
Br3 1.9718 2.8435 4.6488 2.5198 2.5198 3.0373 3.0373
Br4 2.8435 1.9718 4.6488 3.0373 3.0373 2.5198 2.5198
H5 1.0894 2.1795 2.5198 3.0373 1.7935 2.5143 3.0884
H6 1.0894 2.1795 2.5198 3.0373 1.7935 3.0884 2.5143
H7 2.1795 1.0894 3.0373 2.5198 2.5143 3.0884 1.7935
H8 2.1795 1.0894 3.0373 2.5198 3.0884 2.5143 1.7935
Maximum atom distance is 4.6488Å 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 107.996 C2 C1 Br3 107.996
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.637 C1 C2 H8 111.637
C2 C1 H5 111.637 C2 C1 H6 111.637
Br3 C1 H5 107.264 Br3 C1 H6 107.264
Br4 C2 H7 107.264 Br4 C2 H8 107.264
H5 C1 H6 110.803 H7 C2 H8 110.803

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