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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

HSEh1PBE/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4995 0.5627 0.0000   0.6528 0.3743 0.0000
C2 -0.4995 -0.5627 0.0000   -0.6528 -0.3743 0.0000
Br3 -0.4995 2.2853 0.0000   2.1354 -0.9550 0.0000
Br4 0.4995 -2.2853 0.0000   -2.1354 0.9550 0.0000
H5 1.1191 0.5595 0.8955   0.7760 0.9815 0.8955
H6 1.1191 0.5595 -0.8955   0.7760 0.9815 -0.8955
H7 -1.1191 -0.5595 0.8955   -0.7760 -0.9815 0.8955
H8 -1.1191 -0.5595 -0.8955   -0.7760 -0.9815 -0.8955
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5049 1.9913 2.8480 1.0889 1.0889 2.1636 2.1636
C2 1.5049 2.8480 1.9913 2.1636 2.1636 1.0889 1.0889
Br3 1.9913 2.8480 4.6784 2.5299 2.5299 3.0460 3.0460
Br4 2.8480 1.9913 4.6784 3.0460 3.0460 2.5299 2.5299
H5 1.0889 2.1636 2.5299 3.0460 1.7909 2.5024 3.0772
H6 1.0889 2.1636 2.5299 3.0460 1.7909 3.0772 2.5024
H7 2.1636 1.0889 3.0460 2.5299 2.5024 3.0772 1.7909
H8 2.1636 1.0889 3.0460 2.5299 3.0772 2.5024 1.7909
Maximum atom distance is 4.6784Å 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 108.290 C2 C1 Br3 108.290
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.058 C1 C2 H8 112.058
C2 C1 H5 112.058 C2 C1 H6 112.058
Br3 C1 H5 106.740 Br3 C1 H6 106.740
Br4 C2 H7 106.740 Br4 C2 H8 106.740
H5 C1 H6 110.637 H7 C2 H8 110.637

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