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Geometry for CH3Br (methyl bromide) 1A1 C3V

1910171554
InChI=1S/CH3Br/c1-2/h1H3 INChIKey=GZUXJHMPEANEGY-UHFFFAOYSA-N

BLYP/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.5574   -1.5574 0.0000 0.0000
Br2 0.0000 0.0000 0.4283   0.4283 0.0000 0.0000
H3 0.0000 1.0397 -1.8821   -1.8821 0.9782 -0.3522
H4 0.9004 -0.5198 -1.8821   -1.8821 -0.1841 1.0232
H5 -0.9004 -0.5198 -1.8821   -1.8821 -0.7941 -0.6711
Atom - Atom Distances (Å)
  C1 Br2 H3 H4 H5
C1 1.9857 1.0892 1.0892 1.0892
Br2 1.9857 2.5335 2.5335 2.5335
H3 1.0892 2.5335 1.8008 1.8008
H4 1.0892 2.5335 1.8008 1.8008
H5 1.0892 2.5335 1.8008 1.8008
Maximum atom distance is 2.5335Å between atoms Br2 and H3.
picture of methyl bromide
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 107.345 Br2 C1 H4 107.345
Br2 C1 H5 107.345 H3 C1 H4 111.511
H3 C1 H5 111.511 H4 C1 H5 111.511

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