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Geometry for CHBr3 (bromoform) 1A1 C3V

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

B2PLYP/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5383   0.0000 0.0000 0.5383
H2 0.0000 0.0000 1.6211   0.0000 0.0000 1.6211
Br3 0.0000 1.8589 -0.0462   0.0000 1.8589 -0.0462
Br4 1.6098 -0.9294 -0.0462   1.6098 -0.9294 -0.0462
Br5 -1.6098 -0.9294 -0.0462   -1.6098 -0.9294 -0.0462
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4 Br5
C1 1.0828 1.9486 1.9486 1.9486
H2 1.0828 2.4971 2.4971 2.4971
Br3 1.9486 2.4971 3.2197 3.2197
Br4 1.9486 2.4971 3.2197 3.2197
Br5 1.9486 2.4971 3.2197 3.2197
Maximum atom distance is 3.2197Å 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 111.409 Br3 C1 Br5 111.409
Br4 C1 Br5 111.409
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.456 H2 C1 Br4 107.456
H2 C1 Br5 107.456

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