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

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

PBEPBE/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4253 -0.9547 0.0000   0.0196 -0.4248 -0.9547
H2 -1.5651 -0.9835 0.0000   0.0720 -1.5634 -0.9835
Br3 0.0777 1.0084 0.0000   -0.0036 0.0776 1.0084
F4 0.0777 -1.5878 1.1375   1.1327 0.1299 -1.5878
F5 0.0777 -1.5878 -1.1375   -1.1399 0.0253 -1.5878
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.1402 2.0264 1.3956 1.3956
H2 1.1402 2.5819 2.0875 2.0875
Br3 2.0264 2.5819 2.8344 2.8344
F4 1.3956 2.0875 2.8344 2.2750
F5 1.3956 2.0875 2.8344 2.2750
Maximum atom distance is 2.8344Å 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 110.489 Br3 C1 F5 110.489
F4 C1 F5 109.185
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 105.820 H2 C1 F4 110.413
H2 C1 F5 110.413

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