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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

TPSSh/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5743 0.4621 0.4189   -0.5714 0.4606 0.4245
Br2 -1.2105 -0.1865 -0.0287   1.2088 -0.1978 -0.0274
Cl3 1.8381 -0.6888 -0.0685   -1.8444 -0.6697 -0.0866
F4 0.7842 1.6518 -0.2052   -0.7674 1.6625 -0.1804
H5 0.6188 0.5991 1.5016   -0.6186 0.5800 1.5092
Atom - Atom Distances (Å)
  C1 Br2 Cl3 F4 H5
C1 1.9511 1.7774 1.3598 1.0923
Br2 1.9511 3.0900 2.7183 2.5111
Cl3 1.7774 3.0900 2.5705 2.3687
F4 1.3598 2.7183 2.5705 2.0122
H5 1.0923 2.5111 2.3687 2.0122
Maximum atom distance is 3.0900Å 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 111.856 Br2 C1 F4 109.073
Cl3 C1 F4 109.322
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H5 107.841 Cl3 C1 H5 108.911
F4 C1 H5 109.812

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