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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

TPSSh/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5064 0.5614 0.0000   0.6535 0.3801 0.0000
C2 -0.5064 -0.5614 0.0000   -0.6535 -0.3801 0.0000
Br3 -0.5064 2.2971 0.0000   2.1439 -0.9679 0.0000
Br4 0.5064 -2.2971 0.0000   -2.1439 0.9679 0.0000
H5 1.1216 0.5642 0.8987   0.7828 0.9816 0.8987
H6 1.1216 0.5642 -0.8987   0.7828 0.9816 -0.8987
H7 -1.1216 -0.5642 0.8987   -0.7828 -0.9816 0.8987
H8 -1.1216 -0.5642 -0.8987   -0.7828 -0.9816 -0.8987
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5121 2.0095 2.8585 1.0891 1.0891 2.1737 2.1737
C2 1.5121 2.8585 2.0095 2.1737 2.1737 1.0891 1.0891
Br3 2.0095 2.8585 4.7045 2.5419 2.5419 3.0616 3.0616
Br4 2.8585 2.0095 4.7045 3.0616 3.0616 2.5419 2.5419
H5 1.0891 2.1737 2.5419 3.0616 1.7974 2.5110 3.0880
H6 1.0891 2.1737 2.5419 3.0616 1.7974 3.0880 2.5110
H7 2.1737 1.0891 3.0616 2.5419 2.5110 3.0880 1.7974
H8 2.1737 1.0891 3.0616 2.5419 3.0880 2.5110 1.7974
Maximum atom distance is 4.7045Å 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 107.690 C2 C1 Br3 107.690
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.348 C1 C2 H8 112.348
C2 C1 H5 112.348 C2 C1 H6 112.348
Br3 C1 H5 106.409 Br3 C1 H6 106.409
Br4 C2 H7 106.409 Br4 C2 H8 106.409
H5 C1 H6 111.208 H7 C2 H8 111.208

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