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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

B3LYP/LANL2DZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5810 0.4731 0.4320   -0.5779 0.4718 0.4375
Br2 -1.2507 -0.1950 -0.0298   1.2489 -0.2067 -0.0286
Cl3 1.9089 -0.7044 -0.0702   -1.9154 -0.6844 -0.0881
F4 0.8001 1.7062 -0.2073   -0.7827 1.7170 -0.1828
H5 0.6371 0.6053 1.5097   -0.6366 0.5874 1.5170
Atom - Atom Distances (Å)
  C1 Br2 Cl3 F4 H5
C1 2.0037 1.8444 1.4062 1.0873
Br2 2.0037 3.2007 2.8022 2.5640
Cl3 1.8444 3.2007 2.6569 2.4143
F4 1.4062 2.8022 2.6569 2.0462
H5 1.0873 2.5640 2.4143 2.0462
Maximum atom distance is 3.2007Å 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 112.494 Br2 C1 F4 109.272
Cl3 C1 F4 108.897
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H5 108.427 Cl3 C1 H5 108.086
F4 C1 H5 109.629

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