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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

1910171554
InChI=1S/CHBr2F/c2-1(3)4/h1H INChIKey=LTUTVFXOEGMHMP-UHFFFAOYSA-N

B3PW91/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1014 0.7866 0.0000   -0.3306 0.7138 -0.1014
H2 -1.0153 1.3733 0.0000   -0.5771 1.2461 -1.0153
F3 0.9689 1.5940 0.0000   -0.6699 1.4464 0.9689
Br4 -0.1014 -0.2920 1.6153   1.5885 0.4139 -0.1014
Br5 -0.1014 -0.2920 -1.6153   -1.3431 -0.9438 -0.1014
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0860 1.3406 1.9424 1.9424
H2 1.0860 1.9964 2.4935 2.4935
F3 1.3406 1.9964 2.7040 2.7040
Br4 1.9424 2.4935 2.7040 3.2307
Br5 1.9424 2.4935 2.7040 3.2307
Maximum atom distance is 3.2307Å between atoms Br4 and Br5.
picture of dibromofluoromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 Br4 109.538 F3 C1 Br5 109.538
Br4 C1 Br5 112.535
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.273 H2 C1 Br4 107.456
H2 C1 Br5 107.456

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