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Geometry for CHBr3 (bromoform) 1A1 C3V

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

B3LYP/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5197   0.0000 0.0000 0.5197
H2 0.0000 0.0000 1.5979   0.0000 0.0000 1.5979
Br3 0.0000 1.8621 -0.0449   0.0000 1.8621 -0.0449
Br4 1.6126 -0.9310 -0.0449   1.6126 -0.9310 -0.0449
Br5 -1.6126 -0.9310 -0.0449   -1.6126 -0.9310 -0.0449
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4 Br5
C1 1.0782 1.9458 1.9458 1.9458
H2 1.0782 2.4832 2.4832 2.4832
Br3 1.9458 2.4832 3.2252 3.2252
Br4 1.9458 2.4832 3.2252 3.2252
Br5 1.9458 2.4832 3.2252 3.2252
Maximum atom distance is 3.2252Å 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 111.944 Br3 C1 Br5 111.944
Br4 C1 Br5 111.944
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.869 H2 C1 Br4 106.869
H2 C1 Br5 106.869

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