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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/6-311G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4914 0.5730 0.0000   0.6613 0.3640 0.0000
C2 -0.4914 -0.5730 0.0000   -0.6613 -0.3640 0.0000
Br3 -0.4914 2.2542 0.0000   2.1063 -0.9413 0.0000
Br4 0.4914 -2.2542 0.0000   -2.1063 0.9413 0.0000
H5 1.1165 0.5670 0.8906   0.7831 0.9771 0.8906
H6 1.1165 0.5670 -0.8906   0.7831 0.9771 -0.8906
H7 -1.1165 -0.5670 0.8906   -0.7831 -0.9771 0.8906
H8 -1.1165 -0.5670 -0.8906   -0.7831 -0.9771 -0.8906
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5097 1.9473 2.8272 1.0881 1.0881 2.1629 2.1629
C2 1.5097 2.8272 1.9473 2.1629 2.1629 1.0881 1.0881
Br3 1.9473 2.8272 4.6142 2.4950 2.4950 3.0238 3.0238
Br4 2.8272 1.9473 4.6142 3.0238 3.0238 2.4950 2.4950
H5 1.0881 2.1629 2.4950 3.0238 1.7813 2.5044 3.0733
H6 1.0881 2.1629 2.4950 3.0238 1.7813 3.0733 2.5044
H7 2.1629 1.0881 3.0238 2.4950 2.5044 3.0733 1.7813
H8 2.1629 1.0881 3.0238 2.4950 3.0733 2.5044 1.7813
Maximum atom distance is 4.6142Å 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 109.079 C2 C1 Br3 109.079
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.700 C1 C2 H8 111.700
C2 C1 H5 111.700 C2 C1 H6 111.700
Br3 C1 H5 107.139 Br3 C1 H6 107.139
Br4 C2 H7 107.139 Br4 C2 H8 107.139
H5 C1 H6 109.872 H7 C2 H8 109.872

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