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Geometry for CBrClF2 (Methane, bromochlorodifluoro-) 1A' CS

1910171554
InChI=1S/CBrClF2/c2-1(3,4)5 INChIKey=MEXUFEQDCXZEON-UHFFFAOYSA-N

MP2/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0777 0.6829 0.0000   0.6111 -0.3146 0.0000
Br2 0.5693 -1.2224 0.0000   -0.7005 1.1523 0.0000
Cl3 -1.8022 0.8801 0.0000   -0.2690 -1.9875 0.0000
F4 0.5693 1.3182 1.1191   1.4123 -0.2586 1.1191
F5 0.5693 1.3182 -1.1191   1.4123 -0.2586 -1.1191
Atom - Atom Distances (Å)
  C1 Br2 Cl3 F4 F5
C1 1.9677 1.8902 1.3775 1.3775
Br2 1.9677 3.1693 2.7762 2.7762
Cl3 1.8902 3.1693 2.6586 2.6586
F4 1.3775 2.7762 2.6586 2.2381
F5 1.3775 2.7762 2.6586 2.2381
Maximum atom distance is 3.1693Å between atoms Br2 and Cl3.
picture of Methane, bromochlorodifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 Cl3 110.453 Br2 C1 F4 110.942
Br2 C1 F5 110.942 Cl3 C1 F4 107.865
Cl3 C1 F5 107.865 F4 C1 F5 108.661

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