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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

BLYP/STO-3G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4915 0.6140 0.0000   0.7012 0.3561 0.0000
C2 -0.4915 -0.6140 0.0000   -0.7012 -0.3561 0.0000
Br3 -0.4915 2.3161 0.0000   2.1673 -0.9532 0.0000
Br4 0.4915 -2.3161 0.0000   -2.1673 0.9532 0.0000
H5 1.1428 0.5821 0.9020   0.8028 1.0001 0.9020
H6 1.1428 0.5821 -0.9020   0.8028 1.0001 -0.9020
H7 -1.1428 -0.5821 0.9020   -0.8028 -1.0001 0.9020
H8 -1.1428 -0.5821 -0.9020   -0.8028 -1.0001 -0.9020
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5729 1.9656 2.9300 1.1130 1.1130 2.2170 2.2170
C2 1.5729 2.9300 1.9656 2.2170 2.2170 1.1130 1.1130
Br3 1.9656 2.9300 4.7353 2.5477 2.5477 3.1044 3.1044
Br4 2.9300 1.9656 4.7353 3.1044 3.1044 2.5477 2.5477
H5 1.1130 2.2170 2.5477 3.1044 1.8039 2.5650 3.1358
H6 1.1130 2.2170 2.5477 3.1044 1.8039 3.1358 2.5650
H7 2.2170 1.1130 3.1044 2.5477 2.5650 3.1358 1.8039
H8 2.2170 1.1130 3.1044 2.5477 3.1358 2.5650 1.8039
Maximum atom distance is 4.7353Å 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 111.312 C2 C1 Br3 111.312
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.083 C1 C2 H8 110.083
C2 C1 H5 110.083 C2 C1 H6 110.083
Br3 C1 H5 108.506 Br3 C1 H6 108.506
Br4 C2 H7 108.506 Br4 C2 H8 108.506
H5 C1 H6 108.273 H7 C2 H8 108.273

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