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

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

HF/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4413 -0.9051 0.0000   0.0201 -0.4408 -0.9051
H2 -1.5137 -1.0026 0.0000   0.0688 -1.5121 -1.0026
Br3 0.0785 0.9739 0.0000   -0.0036 0.0784 0.9739
F4 0.0785 -1.5363 1.1098   1.1051 0.1289 -1.5363
F5 0.0785 -1.5363 -1.1098   -1.1122 0.0280 -1.5363
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.0768 1.9495 1.3785 1.3785
H2 1.0768 2.5381 2.0128 2.0128
Br3 1.9495 2.5381 2.7446 2.7446
F4 1.3785 2.0128 2.7446 2.2196
F5 1.3785 2.0128 2.7446 2.2196
Maximum atom distance is 2.7446Å 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 109.925 Br3 C1 F5 109.925
F4 C1 F5 107.235
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 110.662 H2 C1 F4 109.514
H2 C1 F5 109.514

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