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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

B2PLYP/6-31G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4956 0.5688 0.0000   0.6574 0.3701 0.0000
C2 -0.4956 -0.5688 0.0000   -0.6574 -0.3701 0.0000
Br3 -0.4956 2.2739 0.0000   2.1263 -0.9460 0.0000
Br4 0.4956 -2.2739 0.0000   -2.1263 0.9460 0.0000
H5 1.1157 0.5732 0.8915   0.7874 0.9764 0.8915
H6 1.1157 0.5732 -0.8915   0.7874 0.9764 -0.8915
H7 -1.1157 -0.5732 0.8915   -0.7874 -0.9764 0.8915
H8 -1.1157 -0.5732 -0.8915   -0.7874 -0.9764 -0.8915
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5088 1.9722 2.8427 1.0859 1.0859 2.1668 2.1668
C2 1.5088 2.8427 1.9722 2.1668 2.1668 1.0859 1.0859
Br3 1.9722 2.8427 4.6545 2.5066 2.5066 3.0472 3.0472
Br4 2.8427 1.9722 4.6545 3.0472 3.0472 2.5066 2.5066
H5 1.0859 2.1668 2.5066 3.0472 1.7829 2.5087 3.0777
H6 1.0859 2.1668 2.5066 3.0472 1.7829 3.0777 2.5087
H7 2.1668 1.0859 3.0472 2.5066 2.5087 3.0777 1.7829
H8 2.1668 1.0859 3.0472 2.5066 3.0777 2.5087 1.7829
Maximum atom distance is 4.6545Å 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 108.768 C2 C1 Br3 108.768
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.221 C1 C2 H8 112.221
C2 C1 H5 112.221 C2 C1 H6 112.221
Br3 C1 H5 106.466 Br3 C1 H6 106.466
Br4 C2 H7 106.466 Br4 C2 H8 106.466
H5 C1 H6 110.353 H7 C2 H8 110.353

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