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Geometry for CHBrCl2 (Methane, bromodichloro-) 1A' CS

1910171554
InChI=1S/CHBrCl2/c2-1(3)4/h1H INChIKey=FMWLUWPQPKEARP-UHFFFAOYSA-N

B3LYPultrafine/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6784 -0.1397 0.0000   0.3830 -0.5599 -0.1397
H2 -1.5905 0.4566 0.0000   0.8981 -1.3126 0.4566
Br3 0.8207 1.1240 0.0000   -0.4634 0.6774 1.1240
Cl4 -0.6784 -1.1459 1.4742   1.5997 0.2725 -1.1459
Cl5 -0.6784 -1.1459 -1.4742   -0.8336 -1.3923 -1.1459
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0897 1.9607 1.7848 1.7848
H2 1.0897 2.5019 2.3607 2.3607
Br3 1.9607 2.5019 3.0940 3.0940
Cl4 1.7848 2.3607 3.0940 2.9484
Cl5 1.7848 2.3607 3.0940 2.9484
Maximum atom distance is 3.0940Å between atoms Br3 and Cl4.
picture of Methane, bromodichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br3 C1 Cl4 111.306 Br3 C1 Cl5 111.306
Cl4 C1 Cl5 111.370
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.696 H2 C1 Cl4 107.967
H2 C1 Cl5 107.967

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