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Geometry for (dibromochlorofluoromethane) 1A' CS

1910171554
InChI=1S/CBr2ClF/c2-1(3,4)5 INChIKey=HEDKQVNHJZBFQR-UHFFFAOYSA-N

MP2/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1333 0.5141 0.0000   0.0000 0.4115 -0.3358
F2 -1.2589 1.2538 0.0000   0.0000 0.6134 -1.6675
Cl3 1.2622 1.6063 0.0000   0.0000 1.9867 0.4760
Br4 -0.1333 -0.5954 1.6015   1.6015 -0.5966 0.1276
Br5 -0.1333 -0.5954 -1.6015   -1.6015 -0.5966 0.1276
Atom - Atom Distances (Å)
  C1 F2 Cl3 Br4 Br5
C1 1.3469 1.7721 1.9482 1.9482
F2 1.3469 2.5456 2.6928 2.6928
Cl3 1.7721 2.5456 3.0593 3.0593
Br4 1.9482 2.6928 3.0593 3.2029
Br5 1.9482 2.6928 3.0593 3.2029
Maximum atom distance is 3.2029Å between atoms Br4 and Br5.
picture of dibromochlorofluoromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 Cl3 108.641 F2 C1 Br4 108.225
F2 C1 Br5 108.225 Cl3 C1 Br4 110.547
Cl3 C1 Br5 110.547 Br4 C1 Br5 110.572

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