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

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

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4267 -0.9094 0.0000   0.0193 -0.4263 -0.9094
H2 -1.5064 -0.9779 0.0000   0.0680 -1.5049 -0.9779
Br3 0.0767 0.9586 0.0000   -0.0035 0.0767 0.9586
F4 0.0767 -1.5064 1.0837   1.0791 0.1256 -1.5064
F5 0.0767 -1.5064 -1.0837   -1.0860 0.0277 -1.5064
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.0819 1.9346 1.3357 1.3357
H2 1.0819 2.5013 1.9900 1.9900
Br3 1.9346 2.5013 2.6926 2.6926
F4 1.3357 1.9900 2.6926 2.1673
F5 1.3357 1.9900 2.6926 2.1673
Maximum atom distance is 2.6926Å 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 109.478 Br3 C1 F5 109.478
F4 C1 F5 108.443
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 108.716 H2 C1 F4 110.356
H2 C1 F5 110.356

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