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

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

B2PLYP=FULLultrafine/daug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0234 0.0000   0.5914 -0.8352 0.0000
Br2 0.8416 -0.7208 0.0000   -1.1033 0.1019 0.0000
Cl3 -1.7702 0.9423 0.0000   1.9892 0.2540 0.0000
H4 0.3193 1.5338 0.8954   0.6258 -1.4362 0.8954
H5 0.3193 1.5338 -0.8954   0.6258 -1.4362 -0.8954
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9365 1.7721 1.0790 1.0790
Br2 1.9365 3.0963 2.4814 2.4814
Cl3 1.7721 3.0963 2.3489 2.3489
H4 1.0790 2.4814 2.3489 1.7909
H5 1.0790 2.4814 2.3489 1.7909
Maximum atom distance is 3.0963Å 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 113.136
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.305 Br2 C1 H5 107.305
Cl3 C1 H4 108.495 Cl3 C1 H5 108.495
H4 C1 H5 112.171

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