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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

MP2/6-31G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4941 0.5698 0.0000   0.6574 0.3695 0.0000
C2 -0.4941 -0.5698 0.0000   -0.6574 -0.3695 0.0000
Br3 -0.4941 2.2631 0.0000   2.1177 -0.9386 0.0000
Br4 0.4941 -2.2631 0.0000   -2.1177 0.9386 0.0000
H5 1.1147 0.5678 0.8903   0.7802 0.9779 0.8903
H6 1.1147 0.5678 -0.8903   0.7802 0.9779 -0.8903
H7 -1.1147 -0.5678 0.8903   -0.7802 -0.9779 0.8903
H8 -1.1147 -0.5678 -0.8903   -0.7802 -0.9779 -0.8903
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5083 1.9606 2.8329 1.0853 1.0853 2.1622 2.1622
C2 1.5083 2.8329 1.9606 2.1622 2.1622 1.0853 1.0853
Br3 1.9606 2.8329 4.6329 2.5010 2.5010 3.0318 3.0318
Br4 2.8329 1.9606 4.6329 3.0318 3.0318 2.5010 2.5010
H5 1.0853 2.1622 2.5010 3.0318 1.7805 2.5020 3.0709
H6 1.0853 2.1622 2.5010 3.0318 1.7805 3.0709 2.5020
H7 2.1622 1.0853 3.0318 2.5010 2.5020 3.0709 1.7805
H8 2.1622 1.0853 3.0318 2.5010 3.0709 2.5020 1.7805
Maximum atom distance is 4.6329Å 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 108.804 C2 C1 Br3 108.804
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.919 C1 C2 H8 111.919
C2 C1 H5 111.919 C2 C1 H6 111.919
Br3 C1 H5 106.845 Br3 C1 H6 106.845
Br4 C2 H7 106.845 Br4 C2 H8 106.845
H5 C1 H6 110.236 H7 C2 H8 110.236

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