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Geometry for CHBr3 (bromoform) 1A1 C3V

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

HF/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5245   0.0000 -0.0000 0.5245
H2 0.0000 0.0000 1.6024   0.0000 -0.0000 1.6024
Br3 0.0000 1.8424 -0.0452   1.8424 0.0000 -0.0452
Br4 1.5956 -0.9212 -0.0452   -0.9212 1.5956 -0.0452
Br5 -1.5956 -0.9212 -0.0452   -0.9212 -1.5956 -0.0452
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4 Br5
C1 1.0779 1.9285 1.9285 1.9285
H2 1.0779 2.4717 2.4717 2.4717
Br3 1.9285 2.4717 3.1911 3.1911
Br4 1.9285 2.4717 3.1911 3.1911
Br5 1.9285 2.4717 3.1911 3.1911
Maximum atom distance is 3.1911Å 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 111.659 Br3 C1 Br5 111.659
Br4 C1 Br5 111.659
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.183 H2 C1 Br4 107.183
H2 C1 Br5 107.183

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