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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/cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4905 0.5711 0.0000   0.6587 0.3645 0.0000
C2 -0.4905 -0.5711 0.0000   -0.6587 -0.3645 0.0000
Br3 -0.4905 2.2406 0.0000   2.0944 -0.9350 0.0000
Br4 0.4905 -2.2406 0.0000   -2.0944 0.9350 0.0000
H5 1.1137 0.5665 0.8879   0.7807 0.9755 0.8879
H6 1.1137 0.5665 -0.8879   0.7807 0.9755 -0.8879
H7 -1.1137 -0.5665 0.8879   -0.7807 -0.9755 0.8879
H8 -1.1137 -0.5665 -0.8879   -0.7807 -0.9755 -0.8879
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5056 1.9364 2.8116 1.0847 1.0847 2.1577 2.1577
C2 1.5056 2.8116 1.9364 2.1577 2.1577 1.0847 1.0847
Br3 1.9364 2.8116 4.5873 2.4828 2.4828 3.0093 3.0093
Br4 2.8116 1.9364 4.5873 3.0093 3.0093 2.4828 2.4828
H5 1.0847 2.1577 2.4828 3.0093 1.7757 2.4989 3.0656
H6 1.0847 2.1577 2.4828 3.0093 1.7757 3.0656 2.4989
H7 2.1577 1.0847 3.0093 2.4828 2.4989 3.0656 1.7757
H8 2.1577 1.0847 3.0093 2.4828 3.0656 2.4989 1.7757
Maximum atom distance is 4.5873Å 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 108.897 C2 C1 Br3 108.897
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.784 C1 C2 H8 111.784
C2 C1 H5 111.784 C2 C1 H6 111.784
Br3 C1 H5 107.139 Br3 C1 H6 107.139
Br4 C2 H7 107.139 Br4 C2 H8 107.139
H5 C1 H6 109.875 H7 C2 H8 109.875

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