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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

QCISD/aug-cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4914 0.5720 0.0000   0.4598 0.5977 0.0000
C2 -0.4914 -0.5720 0.0000   -0.4598 -0.5977 0.0000
Br3 -0.4914 2.2490 0.0000   2.3019 -0.0226 0.0000
Br4 0.4914 -2.2490 0.0000   -2.3019 0.0226 0.0000
H5 1.1129 0.5720 0.8892   0.3331 1.2062 0.8892
H6 1.1129 0.5720 -0.8892   0.3331 1.2062 -0.8892
H7 -1.1129 -0.5720 0.8892   -0.3331 -1.2062 0.8892
H8 -1.1129 -0.5720 -0.8892   -0.3331 -1.2062 -0.8892
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5082 1.9438 2.8209 1.0849 1.0849 2.1617 2.1617
C2 1.5082 2.8209 1.9438 2.1617 2.1617 1.0849 1.0849
Br3 1.9438 2.8209 4.6041 2.4853 2.4853 3.0224 3.0224
Br4 2.8209 1.9438 4.6041 3.0224 3.0224 2.4853 2.4853
H5 1.0849 2.1617 2.4853 3.0224 1.7783 2.5026 3.0701
H6 1.0849 2.1617 2.4853 3.0224 1.7783 3.0701 2.5026
H7 2.1617 1.0849 3.0224 2.4853 2.5026 3.0701 1.7783
H8 2.1617 1.0849 3.0224 2.4853 3.0701 2.5026 1.7783
Maximum atom distance is 4.6041Å 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 108.959 C2 C1 Br3 108.959
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.923 C1 C2 H8 111.923
C2 C1 H5 111.923 C2 C1 H6 111.923
Br3 C1 H5 106.839 Br3 C1 H6 106.839
Br4 C2 H7 106.839 Br4 C2 H8 106.839
H5 C1 H6 110.092 H7 C2 H8 110.092

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