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Geometry for CH2BrCl (Methane, bromochloro-) 1A' CS

1910171554
InChI=1S/CH2BrCl/c2-1-3/h1H2 INChIKey=JPOXNPPZZKNXOV-UHFFFAOYSA-N

HF/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0222 0.0000   0.5878 -0.8363 0.0000
Br2 0.8426 -0.7199 0.0000   -1.1034 0.1045 0.0000
Cl3 -1.7720 0.9412 0.0000   1.9910 0.2489 0.0000
H4 0.3165 1.5322 0.8884   0.6221 -1.4356 0.8884
H5 0.3165 1.5322 -0.8884   0.6221 -1.4356 -0.8884
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9352 1.7739 1.0722 1.0722
Br2 1.9352 3.0977 2.4776 2.4776
Cl3 1.7739 3.0977 2.3453 2.3453
H4 1.0722 2.4776 2.3453 1.7768
H5 1.0722 2.4776 2.3453 1.7768
Maximum atom distance is 3.0977Å between atoms Br2 and Cl3.
picture of Methane, bromochloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 Cl3 113.195
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.440 Br2 C1 H5 107.440
Cl3 C1 H4 108.458 Cl3 C1 H5 108.458
H4 C1 H5 111.908

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