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Geometry for CHBr3 (bromoform) 1A1 C3V

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

mPW1PW91/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 0.5261   0.0000 0.0000 0.5261
H2 0.0000 0.0000 1.6157   0.0000 0.0000 1.6157
Br3 0.0000 1.8438 -0.0454   1.8438 0.0000 -0.0454
Br4 1.5968 -0.9219 -0.0454   -0.9219 1.5968 -0.0454
Br5 -1.5968 -0.9219 -0.0454   -0.9219 -1.5968 -0.0454
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4 Br5
C1 1.0896 1.9303 1.9303 1.9303
H2 1.0896 2.4817 2.4817 2.4817
Br3 1.9303 2.4817 3.1935 3.1935
Br4 1.9303 2.4817 3.1935 3.1935
Br5 1.9303 2.4817 3.1935 3.1935
Maximum atom distance is 3.1935Å 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 111.624 Br3 C1 Br5 111.624
Br4 C1 Br5 111.624
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.222 H2 C1 Br4 107.222
H2 C1 Br5 107.222

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