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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

QCISD/6-311G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4928 0.5757 0.0000   0.6638 0.3656 0.0000
C2 -0.4928 -0.5757 0.0000   -0.6638 -0.3656 0.0000
Br3 -0.4928 2.2707 0.0000   2.1233 -0.9438 0.0000
Br4 0.4928 -2.2707 0.0000   -2.1233 0.9438 0.0000
H5 1.1192 0.5718 0.8925   0.7872 0.9797 0.8925
H6 1.1192 0.5718 -0.8925   0.7872 0.9797 -0.8925
H7 -1.1192 -0.5718 0.8925   -0.7872 -0.9797 0.8925
H8 -1.1192 -0.5718 -0.8925   -0.7872 -0.9797 -0.8925
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5157 1.9608 2.8464 1.0903 1.0903 2.1707 2.1707
C2 1.5157 2.8464 1.9608 2.1707 2.1707 1.0903 1.0903
Br3 1.9608 2.8464 4.6471 2.5063 2.5063 3.0444 3.0444
Br4 2.8464 1.9608 4.6471 3.0444 3.0444 2.5063 2.5063
H5 1.0903 2.1707 2.5063 3.0444 1.7850 2.5135 3.0829
H6 1.0903 2.1707 2.5063 3.0444 1.7850 3.0829 2.5135
H7 2.1707 1.0903 3.0444 2.5063 2.5135 3.0829 1.7850
H8 2.1707 1.0903 3.0444 2.5063 3.0829 2.5135 1.7850
Maximum atom distance is 4.6471Å 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 109.255 C2 C1 Br3 109.255
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.768 C1 C2 H8 111.768
C2 C1 H5 111.768 C2 C1 H6 111.768
Br3 C1 H5 106.969 Br3 C1 H6 106.969
Br4 C2 H7 106.969 Br4 C2 H8 106.969
H5 C1 H6 109.880 H7 C2 H8 109.880

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