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

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

BLYP/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4314 -0.9484 0.0000   0.0187 -0.4310 -0.9484
H2 -1.5247 -1.0033 0.0000   0.0660 -1.5233 -1.0033
Br3 0.0776 0.9890 0.0000   -0.0034 0.0775 0.9890
F4 0.0776 -1.5512 1.1036   1.0992 0.1253 -1.5512
F5 0.0776 -1.5512 -1.1036   -1.1060 0.0298 -1.5512
Atom - Atom Distances (Å)
  C1 H2 Br3 F4 F5
C1 1.0948 2.0031 1.3566 1.3566
H2 1.0948 2.5567 2.0213 2.0213
Br3 2.0031 2.5567 2.7696 2.7696
F4 1.3566 2.0213 2.7696 2.2073
F5 1.3566 2.0213 2.7696 2.2073
Maximum atom distance is 2.7696Å 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 109.538 Br3 C1 F5 109.538
F4 C1 F5 108.880
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.595 H2 C1 F4 110.635
H2 C1 F5 110.635

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