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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/cc-pVTZ


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6683   0.6683 0.0000 0.0000
C2 0.0000 0.0000 -0.6683   -0.6683 0.0000 0.0000
Br3 0.0000 1.5881 1.6970   1.6970 1.5881 0.0000
Br4 0.0000 -1.5881 1.6970   1.6970 -1.5881 0.0000
Br5 0.0000 -1.5881 -1.6970   -1.6970 -1.5881 0.0000
Br6 0.0000 1.5881 -1.6970   -1.6970 1.5881 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 Br5 Br6
C1 1.3366 1.8922 1.8922 2.8490 2.8490
C2 1.3366 2.8490 2.8490 1.8922 1.8922
Br3 1.8922 2.8490 3.1763 4.6485 3.3941
Br4 1.8922 2.8490 3.1763 3.3941 4.6485
Br5 2.8490 1.8922 4.6485 3.3941 3.1763
Br6 2.8490 1.8922 3.3941 4.6485 3.1763
Maximum atom distance is 4.6485Å 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 122.934 C1 C2 Br6 122.934
C2 C1 Br3 122.934 C2 C1 Br4 122.934
Br3 C1 Br4 114.132 Br5 C2 Br6 114.132

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