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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

1910171554
InChI=1S/CHBr2F/c2-1(3)4/h1H INChIKey=LTUTVFXOEGMHMP-UHFFFAOYSA-N

mPW1PW91/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1070 0.8097 0.0000   -0.3531 0.7286 -0.1070
H2 -1.0065 1.4132 0.0000   -0.6164 1.2717 -1.0065
F3 1.0151 1.6245 0.0000   -0.7085 1.4618 1.0151
Br4 -0.1070 -0.2985 1.6227   1.5904 0.4392 -0.1070
Br5 -0.1070 -0.2985 -1.6227   -1.3301 -0.9763 -0.1070
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0833 1.3867 1.9650 1.9650
H2 1.0833 2.0327 2.5243 2.5243
F3 1.3867 2.0327 2.7550 2.7550
Br4 1.9650 2.5243 2.7550 3.2454
Br5 1.9650 2.5243 2.7550 3.2454
Maximum atom distance is 3.2454Å between atoms Br4 and Br5.
picture of dibromofluoromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 Br4 109.351 F3 C1 Br5 109.351
Br4 C1 Br5 111.344
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.155 H2 C1 Br4 108.313
H2 C1 Br5 108.313

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