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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

B2PLYP/TZVP


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4937 0.5677 0.0000   0.6558 0.3686 0.0000
C2 -0.4937 -0.5677 0.0000   -0.6558 -0.3686 0.0000
Br3 -0.4937 2.2769 0.0000   2.1299 -0.9442 0.0000
Br4 0.4937 -2.2769 0.0000   -2.1299 0.9442 0.0000
H5 1.1124 0.5745 0.8899   0.7877 0.9732 0.8899
H6 1.1124 0.5745 -0.8899   0.7877 0.9732 -0.8899
H7 -1.1124 -0.5745 0.8899   -0.7877 -0.9732 0.8899
H8 -1.1124 -0.5745 -0.8899   -0.7877 -0.9732 -0.8899
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5047 1.9739 2.8446 1.0838 1.0838 2.1624 2.1624
C2 1.5047 2.8446 1.9739 2.1624 2.1624 1.0838 1.0838
Br3 1.9739 2.8446 4.6596 2.5039 2.5039 3.0505 3.0505
Br4 2.8446 1.9739 4.6596 3.0505 3.0505 2.5039 2.5039
H5 1.0838 2.1624 2.5039 3.0505 1.7797 2.5040 3.0721
H6 1.0838 2.1624 2.5039 3.0505 1.7797 3.0721 2.5040
H7 2.1624 1.0838 3.0505 2.5039 2.5040 3.0721 1.7797
H8 2.1624 1.0838 3.0505 2.5039 3.0721 2.5040 1.7797
Maximum atom distance is 4.6596Å 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 108.973 C2 C1 Br3 108.973
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.294 C1 C2 H8 112.294
C2 C1 H5 112.294 C2 C1 H6 112.294
Br3 C1 H5 106.266 Br3 C1 H6 106.266
Br4 C2 H7 106.266 Br4 C2 H8 106.266
H5 C1 H6 110.377 H7 C2 H8 110.377

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