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

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

HSEh1PBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4324 -0.9498 0.0000   0.0197 -0.4320 -0.9498
H2 -1.5184 -0.9783 0.0000   0.0693 -1.5168 -0.9783
Br3 0.0776 0.9873 0.0000   -0.0035 0.0775 0.9873
F4 0.0776 -1.5489 1.1141   1.1094 0.1284 -1.5489
F5 0.0776 -1.5489 -1.1141   -1.1165 0.0267 -1.5489
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.0864 2.0031 1.3639 1.3639
H2 1.0864 2.5320 2.0283 2.0283
Br3 2.0031 2.5320 2.7701 2.7701
F4 1.3639 2.0283 2.7701 2.2283
F5 1.3639 2.0283 2.7701 2.2283
Maximum atom distance is 2.7701Å 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 109.242 Br3 C1 F5 109.242
F4 C1 F5 109.542
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.257 H2 C1 F4 111.239
H2 C1 F5 111.239

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