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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

BLYP/aug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5887 0.4681 0.4169   -0.5857 0.4668 0.4224
Br2 -1.2313 -0.1878 -0.0285   1.2295 -0.1991 -0.0272
Cl3 1.8677 -0.6957 -0.0683   -1.8740 -0.6765 -0.0863
F4 0.7983 1.6657 -0.2043   -0.7816 1.6764 -0.1799
H5 0.6264 0.5992 1.4972   -0.6262 0.5807 1.5045
Atom - Atom Distances (Å)
  C1 Br2 Cl3 F4 H5
C1 1.9851 1.7960 1.3653 1.0889
Br2 1.9851 3.1406 2.7542 2.5294
Cl3 1.7960 3.1406 2.5958 2.3808
F4 1.3653 2.7542 2.5958 2.0155
H5 1.0889 2.5294 2.3808 2.0155
Maximum atom distance is 3.1406Å 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 112.222 Br2 C1 F4 109.176
Cl3 C1 F4 109.641
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H5 107.106 Cl3 C1 H5 108.745
F4 C1 H5 109.905

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