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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/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5004 0.5669 0.0000   0.6570 0.3745 0.0000
C2 -0.5004 -0.5669 0.0000   -0.6570 -0.3745 0.0000
Br3 -0.5004 2.3106 0.0000   2.1602 -0.9606 0.0000
Br4 0.5004 -2.3106 0.0000   -2.1602 0.9606 0.0000
H5 1.1179 0.5667 0.8933   0.7826 0.9790 0.8933
H6 1.1179 0.5667 -0.8933   0.7826 0.9790 -0.8933
H7 -1.1179 -0.5667 0.8933   -0.7826 -0.9790 0.8933
H8 -1.1179 -0.5667 -0.8933   -0.7826 -0.9790 -0.8933
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5124 2.0105 2.8775 1.0859 1.0859 2.1685 2.1685
C2 1.5124 2.8775 2.0105 2.1685 2.1685 1.0859 1.0859
Br3 2.0105 2.8775 4.7283 2.5413 2.5413 3.0754 3.0754
Br4 2.8775 2.0105 4.7283 3.0754 3.0754 2.5413 2.5413
H5 1.0859 2.1685 2.5413 3.0754 1.7866 2.5067 3.0782
H6 1.0859 2.1685 2.5413 3.0754 1.7866 3.0782 2.5067
H7 2.1685 1.0859 3.0754 2.5413 2.5067 3.0782 1.7866
H8 2.1685 1.0859 3.0754 2.5413 3.0782 2.5067 1.7866
Maximum atom distance is 4.7283Å 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 108.707 C2 C1 Br3 108.707
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.096 C1 C2 H8 112.096
C2 C1 H5 112.096 C2 C1 H6 112.096
Br3 C1 H5 106.454 Br3 C1 H6 106.454
Br4 C2 H7 106.454 Br4 C2 H8 106.454
H5 C1 H6 110.693 H7 C2 H8 110.693

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