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

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

BLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4298 -0.9659 0.0000   0.0198 -0.4294 -0.9659
H2 -1.5720 -0.9970 0.0000   0.0724 -1.5703 -0.9970
Br3 0.0783 1.0185 0.0000   -0.0036 0.0782 1.0185
F4 0.0783 -1.6031 1.1443   1.1395 0.1309 -1.6031
F5 0.0783 -1.6031 -1.1443   -1.1467 0.0256 -1.6031
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.1426 2.0484 1.4048 1.4048
H2 1.1426 2.6049 2.0977 2.0977
Br3 2.0484 2.6049 2.8604 2.8604
F4 1.4048 2.0977 2.8604 2.2886
F5 1.4048 2.0977 2.8604 2.2886
Maximum atom distance is 2.8604Å 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 110.465 Br3 C1 F5 110.465
F4 C1 F5 109.085
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 105.919 H2 C1 F4 110.441
H2 C1 F5 110.441

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