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Geometry for CHBr3 (bromoform) 1A1 C3V

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

B3LYP/6-31+G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5558   0.0000 0.0000 0.5558
H2 0.0000 0.0000 1.6394   0.0000 0.0000 1.6394
Br3 0.0000 1.8488 -0.0474   -1.2183 1.3906 -0.0474
Br4 1.6011 -0.9244 -0.0474   1.8134 0.3597 -0.0474
Br5 -1.6011 -0.9244 -0.0474   -0.5952 -1.7503 -0.0474
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4 Br5
C1 1.0836 1.9447 1.9447 1.9447
H2 1.0836 2.5026 2.5026 2.5026
Br3 1.9447 2.5026 3.2022 3.2022
Br4 1.9447 2.5026 3.2022 3.2022
Br5 1.9447 2.5026 3.2022 3.2022
Maximum atom distance is 3.2022Å between atoms Br4 and Br5.
picture of bromoform
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br3 C1 Br4 110.835 Br3 C1 Br5 110.835
Br4 C1 Br5 110.835
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 108.070 H2 C1 Br4 108.070
H2 C1 Br5 108.070

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