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

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

B1B95/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6717 -0.1385 0.0000   0.3804 -0.5536 -0.1385
H2 -1.5709 0.4659 0.0000   0.8897 -1.2946 0.4659
Br3 0.8126 1.1041 0.0000   -0.4602 0.6697 1.1041
Cl4 -0.6717 -1.1258 1.4596   1.5834 0.2730 -1.1258
Cl5 -0.6717 -1.1258 -1.4596   -0.8225 -1.3803 -1.1258
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0834 1.9358 1.7622 1.7622
H2 1.0834 2.4674 2.3394 2.3394
Br3 1.9358 2.4674 3.0506 3.0506
Cl4 1.7622 2.3394 3.0506 2.9192
Cl5 1.7622 2.3394 3.0506 2.9192
Maximum atom distance is 3.0506Å 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 111.080 Br3 C1 Cl5 111.080
Cl4 C1 Cl5 111.846
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.155 H2 C1 Cl4 108.215
H2 C1 Cl5 108.215

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