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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

MP2=FULL/aug-cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4955 0.5720 0.0000   0.6612 0.3681 0.0000
C2 -0.4955 -0.5720 0.0000   -0.6612 -0.3681 0.0000
Br3 -0.4955 2.2582 0.0000   2.1092 -0.9467 0.0000
Br4 0.4955 -2.2582 0.0000   -2.1092 0.9467 0.0000
H5 1.1207 0.5710 0.9002   0.7880 0.9803 0.9002
H6 1.1207 0.5710 -0.9002   0.7880 0.9803 -0.9002
H7 -1.1207 -0.5710 0.9002   -0.7880 -0.9803 0.9002
H8 -1.1207 -0.5710 -0.9002   -0.7880 -0.9803 -0.9002
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5136 1.9558 2.8302 1.0960 1.0960 2.1747 2.1747
C2 1.5136 2.8302 1.9558 2.1747 2.1747 1.0960 1.0960
Br3 1.9558 2.8302 4.6238 2.5038 2.5038 3.0341 3.0341
Br4 2.8302 1.9558 4.6238 3.0341 3.0341 2.5038 2.5038
H5 1.0960 2.1747 2.5038 3.0341 1.8004 2.5156 3.0935
H6 1.0960 2.1747 2.5038 3.0341 1.8004 3.0935 2.5156
H7 2.1747 1.0960 3.0341 2.5038 2.5156 3.0935 1.8004
H8 2.1747 1.0960 3.0341 2.5038 3.0935 2.5156 1.8004
Maximum atom distance is 4.6238Å 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 108.654 C2 C1 Br3 108.654
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.888 C1 C2 H8 111.888
C2 C1 H5 111.888 C2 C1 H6 111.888
Br3 C1 H5 106.849 Br3 C1 H6 106.849
Br4 C2 H7 106.849 Br4 C2 H8 106.849
H5 C1 H6 110.437 H7 C2 H8 110.437

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