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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/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0207 0.6629 0.0000   0.5611 -0.3536 0.0000
Br2 0.5763 -1.2398 0.0000   -0.7053 1.1712 0.0000
Cl3 -1.8041 0.9248 0.0000   -0.2425 -2.0128 0.0000
F4 0.5763 1.3163 1.1401   1.4135 -0.2585 1.1401
F5 0.5763 1.3163 -1.1401   1.4135 -0.2585 -1.1401
Atom - Atom Distances (Å)
  C1 Br2 Cl3 F4 F5
C1 1.9822 1.8435 1.4267 1.4267
Br2 1.9822 3.2174 2.7988 2.7988
Cl3 1.8435 3.2174 2.6682 2.6682
F4 1.4267 2.7988 2.6682 2.2801
F5 1.4267 2.7988 2.6682 2.2801
Maximum atom distance is 3.2174Å 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 114.445 Br2 C1 F4 109.295
Br2 C1 F5 109.295 Cl3 C1 F4 108.691
Cl3 C1 F5 108.691 F4 C1 F5 106.092

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