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

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

B1B95/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4234 -0.9134 0.0000   0.0184 -0.4230 -0.9134
H2 -1.5076 -0.9783 0.0000   0.0655 -1.5062 -0.9783
Br3 0.0764 0.9604 0.0000   -0.0033 0.0763 0.9604
F4 0.0764 -1.5086 1.0815   1.0772 0.1233 -1.5086
F5 0.0764 -1.5086 -1.0815   -1.0838 0.0293 -1.5086
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.0861 1.9393 1.3318 1.3318
H2 1.0861 2.5035 1.9899 1.9899
Br3 1.9393 2.5035 2.6954 2.6954
F4 1.3318 1.9899 2.6954 2.1630
F5 1.3318 1.9899 2.6954 2.1630
Maximum atom distance is 2.6954Å 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 109.576 Br3 C1 F5 109.576
F4 C1 F5 108.597
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 108.363 H2 C1 F4 110.359
H2 C1 F5 110.359

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