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

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

B3LYP/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6901 -0.1235 0.0000   0.3940 -0.5666 -0.1235
H2 -1.6028 0.4586 0.0000   0.9151 -1.3159 0.4586
Br3 0.8345 1.1413 0.0000   -0.4764 0.6851 1.1413
Cl4 -0.6901 -1.1666 1.5248   1.6458 0.3040 -1.1666
Cl5 -0.6901 -1.1666 -1.5248   -0.8579 -1.4371 -1.1666
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0826 1.9810 1.8474 1.8474
H2 1.0826 2.5311 2.4082 2.4082
Br3 1.9810 2.5311 3.1584 3.1584
Cl4 1.8474 2.4082 3.1584 3.0496
Cl5 1.8474 2.4082 3.1584 3.0496
Maximum atom distance is 3.1584Å 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 111.131 Br3 C1 Cl5 111.131
Cl4 C1 Cl5 111.252
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.787 H2 C1 Cl4 107.675
H2 C1 Cl5 107.675

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