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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

B3PW91/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4891 0.5747 0.0000   0.6632 0.3603 0.0000
C2 -0.4891 -0.5747 0.0000   -0.6632 -0.3603 0.0000
Br3 -0.4891 2.2387 0.0000   2.0899 -0.9398 0.0000
Br4 0.4891 -2.2387 0.0000   -2.0899 0.9398 0.0000
H5 1.1194 0.5675 0.8893   0.7859 0.9785 0.8893
H6 1.1194 0.5675 -0.8893   0.7859 0.9785 -0.8893
H7 -1.1194 -0.5675 0.8893   -0.7859 -0.9785 0.8893
H8 -1.1194 -0.5675 -0.8893   -0.7859 -0.9785 -0.8893
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5094 1.9303 2.8134 1.0900 1.0900 2.1640 2.1640
C2 1.5094 2.8134 1.9303 2.1640 2.1640 1.0900 1.0900
Br3 1.9303 2.8134 4.5830 2.4842 2.4842 3.0104 3.0104
Br4 2.8134 1.9303 4.5830 3.0104 3.0104 2.4842 2.4842
H5 1.0900 2.1640 2.4842 3.0104 1.7785 2.5100 3.0763
H6 1.0900 2.1640 2.4842 3.0104 1.7785 3.0763 2.5100
H7 2.1640 1.0900 3.0104 2.4842 2.5100 3.0763 1.7785
H8 2.1640 1.0900 3.0104 2.4842 3.0763 2.5100 1.7785
Maximum atom distance is 4.5830Å 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 109.146 C2 C1 Br3 109.146
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.697 C1 C2 H8 111.697
C2 C1 H5 111.697 C2 C1 H6 111.697
Br3 C1 H5 107.384 Br3 C1 H6 107.384
Br4 C2 H7 107.384 Br4 C2 H8 107.384
H5 C1 H6 109.345 H7 C2 H8 109.345

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