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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/6-31G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4935 0.5689 0.0000   0.6564 0.3692 0.0000
C2 -0.4935 -0.5689 0.0000   -0.6564 -0.3692 0.0000
Br3 -0.4935 2.2572 0.0000   2.1121 -0.9368 0.0000
Br4 0.4935 -2.2572 0.0000   -2.1121 0.9368 0.0000
H5 1.1137 0.5662 0.8893   0.7784 0.9772 0.8893
H6 1.1137 0.5662 -0.8893   0.7784 0.9772 -0.8893
H7 -1.1137 -0.5662 0.8893   -0.7784 -0.9772 0.8893
H8 -1.1137 -0.5662 -0.8893   -0.7784 -0.9772 -0.8893
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5062 1.9557 2.8261 1.0842 1.0842 2.1592 2.1592
C2 1.5062 2.8261 1.9557 2.1592 2.1592 1.0842 1.0842
Br3 1.9557 2.8261 4.6211 2.4966 2.4966 3.0245 3.0245
Br4 2.8261 1.9557 4.6211 3.0245 3.0245 2.4966 2.4966
H5 1.0842 2.1592 2.4966 3.0245 1.7786 2.4987 3.0670
H6 1.0842 2.1592 2.4966 3.0245 1.7786 3.0670 2.4987
H7 2.1592 1.0842 3.0245 2.4966 2.4987 3.0670 1.7786
H8 2.1592 1.0842 3.0245 2.4966 3.0670 2.4987 1.7786
Maximum atom distance is 4.6211Å 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 108.750 C2 C1 Br3 108.750
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.900 C1 C2 H8 111.900
C2 C1 H5 111.900 C2 C1 H6 111.900
Br3 C1 H5 106.905 Br3 C1 H6 106.905
Br4 C2 H7 106.905 Br4 C2 H8 106.905
H5 C1 H6 110.217 H7 C2 H8 110.217

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