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

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

TPSSh/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4283 -0.9240 0.0000   0.0185 -0.4279 -0.9240
H2 -1.5139 -0.9862 0.0000   0.0656 -1.5125 -0.9862
Br3 0.0771 0.9703 0.0000   -0.0033 0.0770 0.9703
F4 0.0771 -1.5239 1.0906   1.0863 0.1242 -1.5239
F5 0.0771 -1.5239 -1.0906   -1.0929 0.0298 -1.5239
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.0873 1.9605 1.3434 1.3434
H2 1.0873 2.5217 2.0024 2.0024
Br3 1.9605 2.5217 2.7222 2.7222
F4 1.3434 2.0024 2.7222 2.1812
F5 1.3434 2.0024 2.7222 2.1812
Maximum atom distance is 2.7222Å 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 109.543 Br3 C1 F5 109.543
F4 C1 F5 108.547
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 108.219 H2 C1 F4 110.488
H2 C1 F5 110.488

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