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

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

B2PLYP=FULLultrafine/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6783 -0.1328 0.0000   0.3846 -0.5588 -0.1328
H2 -1.5891 0.4653 0.0000   0.9010 -1.3090 0.4653
Br3 0.8206 1.1154 0.0000   -0.4653 0.6760 1.1154
Cl4 -0.6783 -1.1385 1.4695   1.5950 0.2744 -1.1385
Cl5 -0.6783 -1.1385 -1.4695   -0.8259 -1.3919 -1.1385
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0896 1.9506 1.7806 1.7806
H2 1.0896 2.4959 2.3581 2.3581
Br3 1.9506 2.4959 3.0800 3.0800
Cl4 1.7806 2.3581 3.0800 2.9389
Cl5 1.7806 2.3581 3.0800 2.9389
Maximum atom distance is 3.0800Å 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 111.186 Br3 C1 Cl5 111.186
Cl4 C1 Cl5 111.229
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.922 H2 C1 Cl4 108.060
H2 C1 Cl5 108.060

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