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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

CISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1035 0.7916 0.0000   -0.3463 0.7119 -0.1035
H2 -1.0005 1.3938 0.0000   -0.6097 1.2534 -1.0005
F3 0.9855 1.5831 0.0000   -0.6925 1.4236 0.9855
Br4 -0.1035 -0.2913 1.5994   1.5656 0.4377 -0.1035
Br5 -0.1035 -0.2913 -1.5994   -1.3108 -0.9616 -0.1035
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0803 1.3462 1.9315 1.9315
H2 1.0803 1.9949 2.4904 2.4904
F3 1.3462 1.9949 2.6939 2.6939
Br4 1.9315 2.4904 2.6939 3.1987
Br5 1.9315 2.4904 2.6939 3.1987
Maximum atom distance is 3.1987Å 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 109.246 F3 C1 Br5 109.246
Br4 C1 Br5 111.795
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.117 H2 C1 Br4 108.211
H2 C1 Br5 108.211

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