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Geometry for CHBrF2 (Methane, bromodifluoro-) 1A' CS

1910171554
InChI=1S/CHBrF2/c2-1(3)4/h1H INChIKey=GRCDJFHYVYUNHM-UHFFFAOYSA-N

B3LYPultrafine/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4257 -0.9261 0.0000   0.0193 -0.4253 -0.9261
H2 -1.5103 -0.9858 0.0000   0.0684 -1.5087 -0.9858
Br3 0.0767 0.9712 0.0000   -0.0035 0.0766 0.9712
F4 0.0767 -1.5249 1.0875   1.0830 0.1259 -1.5249
F5 0.0767 -1.5249 -1.0875   -1.0899 0.0273 -1.5249
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.0862 1.9627 1.3393 1.3393
H2 1.0862 2.5196 1.9980 1.9980
Br3 1.9627 2.5196 2.7227 2.7227
F4 1.3393 1.9980 2.7227 2.1751
F5 1.3393 1.9980 2.7227 2.1751
Maximum atom distance is 2.7227Å between atoms Br3 and F4.
picture of Methane, bromodifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br3 C1 F4 109.642 Br3 C1 F5 109.642
F4 C1 F5 108.588
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.983 H2 C1 F4 110.488
H2 C1 F5 110.488

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