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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

CCSD/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5702 0.4591 0.4113   -0.5673 0.4577 0.4168
Br2 -1.2077 -0.1867 -0.0283   1.2060 -0.1979 -0.0271
Cl3 1.8383 -0.6812 -0.0672   -1.8445 -0.6622 -0.0850
F4 0.7763 1.6404 -0.2021   -0.7597 1.6509 -0.1775
H5 0.6119 0.5978 1.4846   -0.6116 0.5789 1.4921
Atom - Atom Distances (Å)
  C1 Br2 Cl3 F4 H5
C1 1.9420 1.7713 1.3469 1.0830
Br2 1.9420 3.0861 2.7027 2.4930
Cl3 1.7713 3.0861 2.5566 2.3554
F4 1.3469 2.7027 2.5566 1.9897
H5 1.0830 2.4930 2.3554 1.9897
Maximum atom distance is 3.0861Å 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 112.344 Br2 C1 F4 109.187
Cl3 C1 F4 109.398
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H5 107.586 Cl3 C1 H5 108.818
F4 C1 H5 109.461

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