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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/6-31G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4937 0.5723 0.0000   0.6599 0.3687 0.0000
C2 -0.4937 -0.5723 0.0000   -0.6599 -0.3687 0.0000
Br3 -0.4937 2.2708 0.0000   2.1253 -0.9399 0.0000
Br4 0.4937 -2.2708 0.0000   -2.1253 0.9399 0.0000
H5 1.1146 0.5711 0.8895   0.7834 0.9771 0.8895
H6 1.1146 0.5711 -0.8895   0.7834 0.9771 -0.8895
H7 -1.1146 -0.5711 0.8895   -0.7834 -0.9771 0.8895
H8 -1.1146 -0.5711 -0.8895   -0.7834 -0.9771 -0.8895
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5117 1.9646 2.8431 1.0847 1.0847 2.1645 2.1645
C2 1.5117 2.8431 1.9646 2.1645 2.1645 1.0847 1.0847
Br3 1.9646 2.8431 4.6477 2.5033 2.5033 3.0419 3.0419
Br4 2.8431 1.9646 4.6477 3.0419 3.0419 2.5033 2.5033
H5 1.0847 2.1645 2.5033 3.0419 1.7789 2.5047 3.0722
H6 1.0847 2.1645 2.5033 3.0419 1.7789 3.0722 2.5047
H7 2.1645 1.0847 3.0419 2.5033 2.5047 3.0722 1.7789
H8 2.1645 1.0847 3.0419 2.5033 3.0722 2.5047 1.7789
Maximum atom distance is 4.6477Å 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 109.043 C2 C1 Br3 109.043
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.901 C1 C2 H8 111.901
C2 C1 H5 111.901 C2 C1 H6 111.901
Br3 C1 H5 106.777 Br3 C1 H6 106.777
Br4 C2 H7 106.777 Br4 C2 H8 106.777
H5 C1 H6 110.171 H7 C2 H8 110.171

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