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

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

QCISD(T)=FULL/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0355 0.0000   -0.5989 0.8447 0.0000
Br2 0.8405 -0.7294 0.0000   1.1076 -0.1089 0.0000
Cl3 -1.7699 0.9542 0.0000   -1.9957 -0.2452 0.0000
H4 0.3346 1.5469 0.9014   -0.6218 1.4554 0.9014
H5 0.3346 1.5469 -0.9014   -0.6218 1.4554 -0.9014
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9548 1.7718 1.0890 1.0890
Br2 1.9548 3.1063 2.5000 2.5000
Cl3 1.7718 3.1063 2.3648 2.3648
H4 1.0890 2.5000 2.3648 1.8028
H5 1.0890 2.5000 2.3648 1.8028
Maximum atom distance is 3.1063Å 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 112.839
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 106.970 Br2 C1 H5 106.970
Cl3 C1 H4 109.172 Cl3 C1 H5 109.172
H4 C1 H5 111.728

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