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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/SDD


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5069 0.5777 0.0000   0.6679 0.3803 0.0000
C2 -0.5069 -0.5777 0.0000   -0.6679 -0.3803 0.0000
Br3 -0.5069 2.3398 0.0000   2.1899 -0.9676 0.0000
Br4 0.5069 -2.3398 0.0000   -2.1899 0.9676 0.0000
H5 1.1298 0.5875 0.9043   0.8029 0.9883 0.9043
H6 1.1298 0.5875 -0.9043   0.8029 0.9883 -0.9043
H7 -1.1298 -0.5875 0.9043   -0.8029 -0.9883 0.9043
H8 -1.1298 -0.5875 -0.9043   -0.8029 -0.9883 -0.9043
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5371 2.0330 2.9175 1.0981 1.0981 2.2032 2.2032
C2 1.5371 2.9175 2.0330 2.2032 2.2032 1.0981 1.0981
Br3 2.0330 2.9175 4.7882 2.5626 2.5626 3.1265 3.1265
Br4 2.9175 2.0330 4.7882 3.1265 3.1265 2.5626 2.5626
H5 1.0981 2.2032 2.5626 3.1265 1.8086 2.5468 3.1237
H6 1.0981 2.2032 2.5626 3.1265 1.8086 3.1237 2.5468
H7 2.2032 1.0981 3.1265 2.5626 2.5468 3.1237 1.8086
H8 2.2032 1.0981 3.1265 2.5626 3.1237 2.5468 1.8086
Maximum atom distance is 4.7882Å 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 108.816 C2 C1 Br3 108.816
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.387 C1 C2 H8 112.387
C2 C1 H5 112.387 C2 C1 H6 112.387
Br3 C1 H5 105.966 Br3 C1 H6 105.966
Br4 C2 H7 105.966 Br4 C2 H8 105.966
H5 C1 H6 110.882 H7 C2 H8 110.882

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