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

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

B1B95/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4222 -0.9300 0.0000   0.0194 -0.4218 -0.9300
H2 -1.5504 -0.9690 0.0000   0.0713 -1.5488 -0.9690
Br3 0.0771 0.9906 0.0000   -0.0035 0.0770 0.9906
F4 0.0771 -1.5623 1.1240   1.1192 0.1287 -1.5623
F5 0.0771 -1.5623 -1.1240   -1.1263 0.0253 -1.5623
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.1289 1.9844 1.3829 1.3829
H2 1.1289 2.5473 2.0650 2.0650
Br3 1.9844 2.5473 2.7894 2.7894
F4 1.3829 2.0650 2.7894 2.2479
F5 1.3829 2.0650 2.7894 2.2479
Maximum atom distance is 2.7894Å 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 110.591 Br3 C1 F5 110.591
F4 C1 F5 108.733
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.552 H2 C1 F4 110.184
H2 C1 F5 110.184

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