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

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

HF/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4339 -0.9407 0.0000   0.0198 -0.4334 -0.9407
H2 -1.4998 -0.9918 0.0000   0.0683 -1.4983 -0.9918
Br3 0.0774 0.9795 0.0000   -0.0035 0.0773 0.9795
F4 0.0774 -1.5359 1.1013   1.0966 0.1275 -1.5359
F5 0.0774 -1.5359 -1.1013   -1.1036 0.0272 -1.5359
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.0671 1.9871 1.3522 1.3522
H2 1.0671 2.5247 1.9991 1.9991
Br3 1.9871 2.5247 2.7460 2.7460
F4 1.3522 1.9991 2.7460 2.2025
F5 1.3522 1.9991 2.7460 2.2025
Maximum atom distance is 2.7460Å 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 109.153 Br3 C1 F5 109.153
F4 C1 F5 109.055
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.658 H2 C1 F4 110.891
H2 C1 F5 110.891

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