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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

B3PW91/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5006 0.5635 0.0000   0.6536 0.3753 0.0000
C2 -0.5006 -0.5635 0.0000   -0.6536 -0.3753 0.0000
Br3 -0.5006 2.2925 0.0000   2.1425 -0.9570 0.0000
Br4 0.5006 -2.2925 0.0000   -2.1425 0.9570 0.0000
H5 1.1195 0.5632 0.8963   0.7794 0.9813 0.8963
H6 1.1195 0.5632 -0.8963   0.7794 0.9813 -0.8963
H7 -1.1195 -0.5632 0.8963   -0.7794 -0.9813 0.8963
H8 -1.1195 -0.5632 -0.8963   -0.7794 -0.9813 -0.8963
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5074 1.9979 2.8560 1.0892 1.0892 2.1674 2.1674
C2 1.5074 2.8560 1.9979 2.1674 2.1674 1.0892 1.0892
Br3 1.9979 2.8560 4.6930 2.5334 2.5334 3.0564 3.0564
Br4 2.8560 1.9979 4.6930 3.0564 3.0564 2.5334 2.5334
H5 1.0892 2.1674 2.5334 3.0564 1.7926 2.5064 3.0814
H6 1.0892 2.1674 2.5334 3.0564 1.7926 3.0814 2.5064
H7 2.1674 1.0892 3.0564 2.5334 2.5064 3.0814 1.7926
H8 2.1674 1.0892 3.0564 2.5334 3.0814 2.5064 1.7926
Maximum atom distance is 4.6930Å 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 108.312 C2 C1 Br3 108.312
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.160 C1 C2 H8 112.160
C2 C1 H5 112.160 C2 C1 H6 112.160
Br3 C1 H5 106.556 Br3 C1 H6 106.556
Br4 C2 H7 106.556 Br4 C2 H8 106.556
H5 C1 H6 110.746 H7 C2 H8 110.746

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