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)

1910171554

MP3/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.4939   -1.4939 0.0000 0.0000
Br2 0.0000 0.0000 0.3701   0.3701 0.0000 0.0000
H3 0.0000 0.9493 -1.9944   -1.9944 0.9493 0.0000
H4 0.0000 -0.9493 -1.9944   -1.9944 -0.9493 0.0000
Atom - Atom Distances (Å)
  C1 Br2 H3 H4
C1 1.8640 1.0731 1.0731
Br2 1.8640 2.5479 2.5479
H3 1.0731 2.5479 1.8985
H4 1.0731 2.5479 1.8985
Maximum atom distance is 2.5479Å 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 117.800 Br2 C1 H4 117.800
H3 C1 H4 124.399

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