return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CH2Br (bromomethyl radical) 2A' CS

1910171554
InChI=1S/CH2Br/c1-2/h1H2 INChIKey=AOJDZKCUAATBGE-UHFFFAOYSA-N

HF/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0091 1.5034 0.0000   0.0001 -0.0091 1.5034
Br2 -0.0091 -0.3707 0.0000   0.0001 -0.0091 -0.3707
H3 0.1871 1.9776 0.9391   0.9372 0.1964 1.9776
H4 0.1871 1.9776 -0.9391   -0.9409 0.1778 1.9776
Atom - Atom Distances (Å)
  C1 Br2 H3 H4
C1 1.8741 1.0702 1.0702
Br2 1.8741 2.5368 2.5368
H3 1.0702 2.5368 1.8783
H4 1.0702 2.5368 1.8783
Maximum atom distance is 2.5368Å between atoms Br2 and H3.
picture of bromomethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H3 116.302 Br2 C1 H4 116.302
H3 C1 H4 122.689

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