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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

MP2/6-31+G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4910 0.5722 0.0000   0.6602 0.3641 0.0000
C2 -0.4910 -0.5722 0.0000   -0.6602 -0.3641 0.0000
Br3 -0.4910 2.2631 0.0000   2.1155 -0.9420 0.0000
Br4 0.4910 -2.2631 0.0000   -2.1155 0.9420 0.0000
H5 1.1132 0.5725 0.8901   0.7874 0.9731 0.8901
H6 1.1132 0.5725 -0.8901   0.7874 0.9731 -0.8901
H7 -1.1132 -0.5725 0.8901   -0.7874 -0.9731 0.8901
H8 -1.1132 -0.5725 -0.8901   -0.7874 -0.9731 -0.8901
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5079 1.9554 2.8352 1.0860 1.0860 2.1624 2.1624
C2 1.5079 2.8352 1.9554 2.1624 2.1624 1.0860 1.0860
Br3 1.9554 2.8352 4.6315 2.4948 2.4948 3.0364 3.0364
Br4 2.8352 1.9554 4.6315 3.0364 3.0364 2.4948 2.4948
H5 1.0860 2.1624 2.4948 3.0364 1.7802 2.5035 3.0719
H6 1.0860 2.1624 2.4948 3.0364 1.7802 3.0719 2.5035
H7 2.1624 1.0860 3.0364 2.4948 2.5035 3.0719 1.7802
H8 2.1624 1.0860 3.0364 2.4948 3.0719 2.5035 1.7802
Maximum atom distance is 4.6315Å 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 109.218 C2 C1 Br3 109.218
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.920 C1 C2 H8 111.920
C2 C1 H5 111.920 C2 C1 H6 111.920
Br3 C1 H5 106.708 Br3 C1 H6 106.708
Br4 C2 H7 106.708 Br4 C2 H8 106.708
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.