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

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

QCISD/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6655 -0.1194 0.0000   0.3778 -0.5478 -0.1194
H2 -1.5808 0.4608 0.0000   0.8975 -1.3013 0.4608
Br3 0.8057 1.0983 0.0000   -0.4575 0.6633 1.0983
Cl4 -0.6655 -1.1230 1.4579   1.5780 0.2799 -1.1230
Cl5 -0.6655 -1.1230 -1.4579   -0.8223 -1.3756 -1.1230
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0837 1.9098 1.7700 1.7700
H2 1.0837 2.4702 2.3392 2.3392
Br3 1.9098 2.4702 3.0372 3.0372
Cl4 1.7700 2.3392 3.0372 2.9159
Cl5 1.7700 2.3392 3.0372 2.9159
Maximum atom distance is 3.0372Å 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 111.194 Br3 C1 Cl5 111.194
Cl4 C1 Cl5 110.914
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 108.018 H2 C1 Cl4 107.672
H2 C1 Cl5 107.672

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