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Geometry for C2Br4 (tetrabromoethene) 1AG D2H

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

HF/Def2TZVPP


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6584   0.6584 0.0000 0.0000
C2 0.0000 0.0000 -0.6584   -0.6584 0.0000 0.0000
Br3 0.0000 1.5722 1.6882   1.6882 1.5722 0.0000
Br4 0.0000 -1.5722 1.6882   1.6882 -1.5722 0.0000
Br5 0.0000 -1.5722 -1.6882   -1.6882 -1.5722 0.0000
Br6 0.0000 1.5722 -1.6882   -1.6882 1.5722 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 Br5 Br6
C1 1.3169 1.8794 1.8794 2.8246 2.8246
C2 1.3169 2.8246 2.8246 1.8794 1.8794
Br3 1.8794 2.8246 3.1443 4.6138 3.3764
Br4 1.8794 2.8246 3.1443 3.3764 4.6138
Br5 2.8246 1.8794 4.6138 3.3764 3.1443
Br6 2.8246 1.8794 3.3764 4.6138 3.1443
Maximum atom distance is 4.6138Å 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 123.225 C1 C2 Br6 123.225
C2 C1 Br3 123.225 C2 C1 Br4 123.225
Br3 C1 Br4 113.550 Br5 C2 Br6 113.550

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