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Geometry for C2Br4 (tetrabromoethene) 1AG D2H

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

MP2/6-31G(2df,p)


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6770   0.6770 0.0000 0.0000
C2 0.0000 0.0000 -0.6770   -0.6770 0.0000 0.0000
Br3 0.0000 1.5650 1.6586   1.6586 1.5650 0.0000
Br4 0.0000 -1.5650 1.6586   1.6586 -1.5650 0.0000
Br5 0.0000 -1.5650 -1.6586   -1.6586 -1.5650 0.0000
Br6 0.0000 1.5650 -1.6586   -1.6586 1.5650 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 Br5 Br6
C1 1.3540 1.8474 1.8474 2.8115 2.8115
C2 1.3540 2.8115 2.8115 1.8474 1.8474
Br3 1.8474 2.8115 3.1300 4.5608 3.3172
Br4 1.8474 2.8115 3.1300 3.3172 4.5608
Br5 2.8115 1.8474 4.5608 3.3172 3.1300
Br6 2.8115 1.8474 3.3172 4.5608 3.1300
Maximum atom distance is 4.5608Å 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 122.097 C1 C2 Br6 122.097
C2 C1 Br3 122.097 C2 C1 Br4 122.097
Br3 C1 Br4 115.806 Br5 C2 Br6 115.806

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