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

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

HSEh1PBE/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6741 -0.1333 0.0000   0.3818 -0.5556 -0.1333
H2 -1.5858 0.4662 0.0000   0.8982 -1.3070 0.4662
Br3 0.8158 1.1081 0.0000   -0.4620 0.6723 1.1081
Cl4 -0.6741 -1.1309 1.4594   1.5846 0.2710 -1.1309
Cl5 -0.6741 -1.1309 -1.4594   -0.8209 -1.3822 -1.1309
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0911 1.9393 1.7678 1.7678
H2 1.0911 2.4859 2.3477 2.3477
Br3 1.9393 2.4859 3.0598 3.0598
Cl4 1.7678 2.3477 3.0598 2.9188
Cl5 1.7678 2.3477 3.0598 2.9188
Maximum atom distance is 3.0598Å 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 111.176 Br3 C1 Cl5 111.176
Cl4 C1 Cl5 111.290
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.875 H2 C1 Cl4 108.061
H2 C1 Cl5 108.061

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