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

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

M06-2X/daug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4312 -0.9090 0.0000   0.0197 -0.4308 -0.9090
H2 -1.5213 -0.9820 0.0000   0.0695 -1.5197 -0.9820
Br3 0.0775 0.9598 0.0000   -0.0035 0.0774 0.9598
F4 0.0775 -1.5087 1.0852   1.0805 0.1270 -1.5087
F5 0.0775 -1.5087 -1.0852   -1.0876 0.0279 -1.5087
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.0925 1.9368 1.3402 1.3402
H2 1.0925 2.5153 2.0028 2.0028
Br3 1.9368 2.5153 2.6966 2.6966
F4 1.3402 2.0028 2.6966 2.1704
F5 1.3402 2.0028 2.6966 2.1704
Maximum atom distance is 2.6966Å 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 109.395 Br3 C1 F5 109.395
F4 C1 F5 108.139
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 109.059 H2 C1 F4 110.417
H2 C1 F5 110.417

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