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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/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6694 -0.1426 0.0000   0.3802 -0.5510 -0.1426
H2 -1.5718 0.4556 0.0000   0.8926 -1.2937 0.4556
Br3 0.8100 1.1085 0.0000   -0.4600 0.6667 1.1085
Cl4 -0.6694 -1.1294 1.4511   1.5746 0.2731 -1.1294
Cl5 -0.6694 -1.1294 -1.4511   -0.8142 -1.3751 -1.1294
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0827 1.9375 1.7548 1.7548
H2 1.0827 2.4696 2.3307 2.3307
Br3 1.9375 2.4696 3.0500 3.0500
Cl4 1.7548 2.3307 3.0500 2.9022
Cl5 1.7548 2.3307 3.0500 2.9022
Maximum atom distance is 3.0500Å 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 111.291 Br3 C1 Cl5 111.291
Cl4 C1 Cl5 111.568
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.236 H2 C1 Cl4 108.102
H2 C1 Cl5 108.102

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