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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

PBEPBE/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1020 0.7957 0.0000   -0.3423 0.7182 -0.1020
H2 -1.0250 1.3809 0.0000   -0.5942 1.2465 -1.0250
F3 0.9752 1.6111 0.0000   -0.6932 1.4544 0.9752
Br4 -0.1020 -0.2951 1.6215   1.5907 0.4313 -0.1020
Br5 -0.1020 -0.2951 -1.6215   -1.3367 -0.9640 -0.1020
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0929 1.3510 1.9542 1.9542
H2 1.0929 2.0134 2.5080 2.5080
F3 1.3510 2.0134 2.7245 2.7245
Br4 1.9542 2.5080 2.7245 3.2429
Br5 1.9542 2.5080 2.7245 3.2429
Maximum atom distance is 3.2429Å 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 109.688 F3 C1 Br5 109.688
Br4 C1 Br5 112.144
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.496 H2 C1 Br4 107.390
H2 C1 Br5 107.390

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