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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

PBE1PBE/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4931 0.5690 0.0000   0.4563 0.5989 0.0000
C2 -0.4931 -0.5690 0.0000   -0.4563 -0.5989 0.0000
Br3 -0.4931 2.2554 0.0000   2.3086 -0.0224 0.0000
Br4 0.4931 -2.2554 0.0000   -2.3086 0.0224 0.0000
H5 1.1175 0.5706 0.8929   0.3305 1.2104 0.8929
H6 1.1175 0.5706 -0.8929   0.3305 1.2104 -0.8929
H7 -1.1175 -0.5706 0.8929   -0.3305 -1.2104 0.8929
H8 -1.1175 -0.5706 -0.8929   -0.3305 -1.2104 -0.8929
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5059 1.9537 2.8244 1.0895 1.0895 2.1657 2.1657
C2 1.5059 2.8244 1.9537 2.1657 2.1657 1.0895 1.0895
Br3 1.9537 2.8244 4.6174 2.4960 2.4960 3.0288 3.0288
Br4 2.8244 1.9537 4.6174 3.0288 3.0288 2.4960 2.4960
H5 1.0895 2.1657 2.4960 3.0288 1.7858 2.5095 3.0801
H6 1.0895 2.1657 2.4960 3.0288 1.7858 3.0801 2.5095
H7 2.1657 1.0895 3.0288 2.4960 2.5095 3.0801 1.7858
H8 2.1657 1.0895 3.0288 2.4960 3.0801 2.5095 1.7858
Maximum atom distance is 4.6174Å 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 108.763 C2 C1 Br3 108.763
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.116 C1 C2 H8 112.116
C2 C1 H5 112.116 C2 C1 H6 112.116
Br3 C1 H5 106.735 Br3 C1 H6 106.735
Br4 C2 H7 106.735 Br4 C2 H8 106.735
H5 C1 H6 110.075 H7 C2 H8 110.075

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