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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=FULLultrafine/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5003 0.5671 0.0000   0.6572 0.3741 0.0000
C2 -0.5003 -0.5671 0.0000   -0.6572 -0.3741 0.0000
Br3 -0.5003 2.3105 0.0000   2.1599 -0.9608 0.0000
Br4 0.5003 -2.3105 0.0000   -2.1599 0.9608 0.0000
H5 1.1178 0.5668 0.8932   0.7828 0.9787 0.8932
H6 1.1178 0.5668 -0.8932   0.7828 0.9787 -0.8932
H7 -1.1178 -0.5668 0.8932   -0.7828 -0.9787 0.8932
H8 -1.1178 -0.5668 -0.8932   -0.7828 -0.9787 -0.8932
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5124 2.0101 2.8775 1.0859 1.0859 2.1683 2.1683
C2 1.5124 2.8775 2.0101 2.1683 2.1683 1.0859 1.0859
Br3 2.0101 2.8775 4.7280 2.5409 2.5409 3.0753 3.0753
Br4 2.8775 2.0101 4.7280 3.0753 3.0753 2.5409 2.5409
H5 1.0859 2.1683 2.5409 3.0753 1.7864 2.5065 3.0780
H6 1.0859 2.1683 2.5409 3.0753 1.7864 3.0780 2.5065
H7 2.1683 1.0859 3.0753 2.5409 2.5065 3.0780 1.7864
H8 2.1683 1.0859 3.0753 2.5409 3.0780 2.5065 1.7864
Maximum atom distance is 4.7280Å 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 108.731 C2 C1 Br3 108.731
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.085 C1 C2 H8 112.085
C2 C1 H5 112.085 C2 C1 H6 112.085
Br3 C1 H5 106.457 Br3 C1 H6 106.457
Br4 C2 H7 106.457 Br4 C2 H8 106.457
H5 C1 H6 110.686 H7 C2 H8 110.686

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