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Geometry for CHFClBr (fluorochlorobromomethane) 1A C1

1910171554
InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m0/s1 INChIKey=YNKZSBSRKWVMEZ-SFOWXEAESA-N

M06-2X/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5703 0.4603 0.4125   -0.5674 0.4588 0.4182
Br2 -1.1994 -0.1844 -0.0282   1.1976 -0.1956 -0.0270
Cl3 1.8204 -0.6819 -0.0674   -1.8266 -0.6630 -0.0854
F4 0.7774 1.6326 -0.2032   -0.7608 1.6432 -0.1785
H5 0.6128 0.5935 1.4863   -0.6126 0.5744 1.4939
Atom - Atom Distances (Å)
  C1 Br2 Cl3 F4 H5
C1 1.9344 1.7600 1.3402 1.0829
Br2 1.9344 3.0607 2.6906 2.4866
Cl3 1.7600 3.0607 2.5423 2.3450
F4 1.3402 2.6906 2.5423 1.9902
H5 1.0829 2.4866 2.3450 1.9902
Maximum atom distance is 3.0607Å between atoms Br2 and Cl3.
picture of fluorochlorobromomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 Cl3 111.797 Br2 C1 F4 109.159
Cl3 C1 F4 109.433
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H5 107.626 Cl3 C1 H5 108.809
F4 C1 H5 109.993

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