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

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

M06-2X/daug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6724 -0.1316 0.0000   0.3810 -0.5541 -0.1316
H2 -1.5740 0.4627 0.0000   0.8917 -1.2970 0.4627
Br3 0.8135 1.1053 0.0000   -0.4609 0.6703 1.1053
Cl4 -0.6724 -1.1282 1.4535   1.5787 0.2693 -1.1282
Cl5 -0.6724 -1.1282 -1.4535   -0.8168 -1.3776 -1.1282
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0798 1.9334 1.7624 1.7624
H2 1.0798 2.4724 2.3359 2.3359
Br3 1.9334 2.4724 3.0511 3.0511
Cl4 1.7624 2.3359 3.0511 2.9070
Cl5 1.7624 2.3359 3.0511 2.9070
Maximum atom distance is 3.0511Å 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 111.211 Br3 C1 Cl5 111.211
Cl4 C1 Cl5 111.125
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.832 H2 C1 Cl4 108.134
H2 C1 Cl5 108.134

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