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Geometry for CHBr3 (bromoform) 1A1 C3V

1910171554
InChI=1S/CHBr3/c2-1(3)4/h1H INChIKey=DIKBFYAXUHHXCS-UHFFFAOYSA-N

B3LYP/CEP-121G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5314   0.0000 -0.0000 0.5314
H2 0.0000 0.0000 1.6185   0.0000 -0.0000 1.6185
Br3 0.0000 1.9191 -0.0458   1.9191 0.0000 -0.0458
Br4 1.6620 -0.9596 -0.0458   -0.9596 1.6620 -0.0458
Br5 -1.6620 -0.9596 -0.0458   -0.9596 -1.6620 -0.0458
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4 Br5
C1 1.0871 2.0040 2.0040 2.0040
H2 1.0871 2.5403 2.5403 2.5403
Br3 2.0040 2.5403 3.3240 3.3240
Br4 2.0040 2.5403 3.3240 3.3240
Br5 2.0040 2.5403 3.3240 3.3240
Maximum atom distance is 3.3240Å between atoms Br3 and Br4.
picture of bromoform
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br3 C1 Br4 112.061 Br3 C1 Br5 112.061
Br4 C1 Br5 112.061
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.737 H2 C1 Br4 106.737
H2 C1 Br5 106.737

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