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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 0.4900 0.5749 0.0000   0.6603 0.3670 0.0000
C2 -0.4900 -0.5749 0.0000   -0.6603 -0.3670 0.0000
Br3 -0.4900 2.2535 0.0000   2.1126 -0.9249 0.0000
Br4 0.4900 -2.2535 0.0000   -2.1126 0.9249 0.0000
H5 1.1154 0.5661 0.8912   0.7750 0.9818 0.8912
H6 1.1154 0.5661 -0.8912   0.7750 0.9818 -0.8912
H7 -1.1154 -0.5661 0.8912   -0.7750 -0.9818 0.8912
H8 -1.1154 -0.5661 -0.8912   -0.7750 -0.9818 -0.8912
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5109 1.9438 2.8285 1.0887 1.0887 2.1618 2.1618
C2 1.5109 2.8285 1.9438 2.1618 2.1618 1.0887 1.0887
Br3 1.9438 2.8285 4.6124 2.4938 2.4938 3.0225 3.0225
Br4 2.8285 1.9438 4.6124 3.0225 3.0225 2.4938 2.4938
H5 1.0887 2.1618 2.4938 3.0225 1.7823 2.5017 3.0717
H6 1.0887 2.1618 2.4938 3.0225 1.7823 3.0717 2.5017
H7 2.1618 1.0887 3.0225 2.4938 2.5017 3.0717 1.7823
H8 2.1618 1.0887 3.0225 2.4938 3.0717 2.5017 1.7823
Maximum atom distance is 4.6124Å 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 109.279 C2 C1 Br3 109.279
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.496 C1 C2 H8 111.496
C2 C1 H5 111.496 C2 C1 H6 111.496
Br3 C1 H5 107.255 Br3 C1 H6 107.255
Br4 C2 H7 107.255 Br4 C2 H8 107.255
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.