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Geometry for C2Br4 (tetrabromoethene) 1AG D2H

1910171554
InChI=1S/C2Br4/c3-1(4)2(5)6 INChIKey=OVRRJBSHBOXFQE-UHFFFAOYSA-N

B3LYP/LANL2DZ


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6754   0.6754 0.0000 0.0000
C2 0.0000 0.0000 -0.6754   -0.6754 0.0000 0.0000
Br3 0.0000 1.6369 1.7453   1.7453 1.6369 0.0000
Br4 0.0000 -1.6369 1.7453   1.7453 -1.6369 0.0000
Br5 0.0000 -1.6369 -1.7453   -1.7453 -1.6369 0.0000
Br6 0.0000 1.6369 -1.7453   -1.7453 1.6369 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 Br5 Br6
C1 1.3507 1.9556 1.9556 2.9222 2.9222
C2 1.3507 2.9222 2.9222 1.9556 1.9556
Br3 1.9556 2.9222 3.2738 4.7857 3.4907
Br4 1.9556 2.9222 3.2738 3.4907 4.7857
Br5 2.9222 1.9556 4.7857 3.4907 3.2738
Br6 2.9222 1.9556 3.4907 4.7857 3.2738
Maximum atom distance is 4.7857Å between atoms Br3 and Br5.
picture of tetrabromoethene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Br5 123.171 C1 C2 Br6 123.171
C2 C1 Br3 123.171 C2 C1 Br4 123.171
Br3 C1 Br4 113.659 Br5 C2 Br6 113.659

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