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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/STO-3G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4858 0.6147 0.0000   0.7013 0.3493 0.0000
C2 -0.4858 -0.6147 0.0000   -0.7013 -0.3493 0.0000
Br3 -0.4858 2.2911 0.0000   2.1427 -0.9455 0.0000
Br4 0.4858 -2.2911 0.0000   -2.1427 0.9455 0.0000
H5 1.1370 0.5809 0.8961   0.8018 0.9936 0.8961
H6 1.1370 0.5809 -0.8961   0.8018 0.9936 -0.8961
H7 -1.1370 -0.5809 0.8961   -0.8018 -0.9936 0.8961
H8 -1.1370 -0.5809 -0.8961   -0.8018 -0.9936 -0.8961
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5669 1.9376 2.9058 1.1083 1.1083 2.2059 2.2059
C2 1.5669 2.9058 1.9376 2.2059 2.2059 1.1083 1.1083
Br3 1.9376 2.9058 4.6840 2.5221 2.5221 3.0782 3.0782
Br4 2.9058 1.9376 4.6840 3.0782 3.0782 2.5221 2.5221
H5 1.1083 2.2059 2.5221 3.0782 1.7922 2.5536 3.1198
H6 1.1083 2.2059 2.5221 3.0782 1.7922 3.1198 2.5536
H7 2.2059 1.1083 3.0782 2.5221 2.5536 3.1198 1.7922
H8 2.2059 1.1083 3.0782 2.5221 3.1198 2.5536 1.7922
Maximum atom distance is 4.6840Å 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 111.588 C2 C1 Br3 111.588
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.903 C1 C2 H8 109.903
C2 C1 H5 109.903 C2 C1 H6 109.903
Br3 C1 H5 108.723 Br3 C1 H6 108.723
Br4 C2 H7 108.723 Br4 C2 H8 108.723
H5 C1 H6 107.914 H7 C2 H8 107.914

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