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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 0.5040 0.5656 0.0000   0.6578 0.3758 0.0000
C2 -0.5040 -0.5656 0.0000   -0.6578 -0.3758 0.0000
Br3 -0.5040 2.3126 0.0000   2.1579 -0.9725 0.0000
Br4 0.5040 -2.3126 0.0000   -2.1579 0.9725 0.0000
H5 1.1237 0.5723 0.8978   0.7929 0.9807 0.8978
H6 1.1237 0.5723 -0.8978   0.7929 0.9807 -0.8978
H7 -1.1237 -0.5723 0.8978   -0.7929 -0.9807 0.8978
H8 -1.1237 -0.5723 -0.8978   -0.7929 -0.9807 -0.8978
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5152 2.0169 2.8782 1.0909 1.0909 2.1795 2.1795
C2 1.5152 2.8782 2.0169 2.1795 2.1795 1.0909 1.0909
Br3 2.0169 2.8782 4.7337 2.5464 2.5464 3.0843 3.0843
Br4 2.8782 2.0169 4.7337 3.0843 3.0843 2.5464 2.5464
H5 1.0909 2.1795 2.5464 3.0843 1.7955 2.5222 3.0960
H6 1.0909 2.1795 2.5464 3.0843 1.7955 3.0960 2.5222
H7 2.1795 1.0909 3.0843 2.5464 2.5222 3.0960 1.7955
H8 2.1795 1.0909 3.0843 2.5464 3.0960 2.5222 1.7955
Maximum atom distance is 4.7337Å 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 108.315 C2 C1 Br3 108.315
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.490 C1 C2 H8 112.490
C2 C1 H5 112.490 C2 C1 H6 112.490
Br3 C1 H5 106.176 Br3 C1 H6 106.176
Br4 C2 H7 106.176 Br4 C2 H8 106.176
H5 C1 H6 110.759 H7 C2 H8 110.759

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