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

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

B3LYP/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0297 0.0000   -0.5988 0.8377 0.0000
Br2 0.8415 -0.7342 0.0000   1.1116 -0.1080 0.0000
Cl3 -1.7712 0.9676 0.0000   -2.0036 -0.2428 0.0000
H4 0.3285 1.5348 0.8979   -0.6252 1.4396 0.8979
H5 0.3285 1.5348 -0.8979   -0.6252 1.4396 -0.8979
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9544 1.7723 1.0813 1.0813
Br2 1.9544 3.1181 2.4935 2.4935
Cl3 1.7723 3.1181 2.3530 2.3530
H4 1.0813 2.4935 2.3530 1.7958
H5 1.0813 2.4935 2.3530 1.7958
Maximum atom distance is 3.1181Å 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 113.495
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 106.903 Br2 C1 H5 106.903
Cl3 C1 H4 108.661 Cl3 C1 H5 108.661
H4 C1 H5 112.281

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