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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

QCISD(T)/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1048 0.8048 0.0000   -0.3498 0.7248 -0.1048
H2 -1.0099 1.4117 0.0000   -0.6136 1.2714 -1.0099
F3 0.9975 1.5983 0.0000   -0.6947 1.4394 0.9975
Br4 -0.1048 -0.2946 1.6119   1.5798 0.4352 -0.1048
Br5 -0.1048 -0.2946 -1.6119   -1.3237 -0.9659 -0.1048
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0897 1.3582 1.9512 1.9512
H2 1.0897 2.0160 2.5158 2.5158
F3 1.3582 2.0160 2.7197 2.7197
Br4 1.9512 2.5158 2.7197 3.2239
Br5 1.9512 2.5158 2.7197 3.2239
Maximum atom distance is 3.2239Å 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 109.220 F3 C1 Br5 109.220
Br4 C1 Br5 111.408
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.406 H2 C1 Br4 108.290
H2 C1 Br5 108.290

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