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

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

MP3/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6905 -0.1211 0.0000   0.3956 -0.5660 -0.1211
H2 -1.5753 0.4969 0.0000   0.9024 -1.2912 0.4969
Br3 0.8342 1.0936 0.0000   -0.4779 0.6837 1.0936
Cl4 -0.6905 -1.1190 1.4539   1.5873 0.2669 -1.1190
Cl5 -0.6905 -1.1190 -1.4539   -0.7961 -1.3989 -1.1190
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0792 1.9494 1.7634 1.7634
H2 1.0792 2.4823 2.3469 2.3469
Br3 1.9494 2.4823 3.0552 3.0552
Cl4 1.7634 2.3469 3.0552 2.9078
Cl5 1.7634 2.3469 3.0552 2.9078
Maximum atom distance is 3.0552Å 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 110.648 Br3 C1 Cl5 110.648
Cl4 C1 Cl5 111.071
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.522 H2 C1 Cl4 108.907
H2 C1 Cl5 108.907

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