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

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

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 -0.6643 -0.1301 0.0000
H2 -1.5831 0.4457 0.0000
Br3 0.8045 1.1141 0.0000
Cl4 -0.6643 -1.1370 1.4695
Cl5 -0.6643 -1.1370 -1.4695
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0842 1.9249 1.7814 1.7814
H2 1.0842 2.4794 2.3470 2.3470
Br3 1.9249 2.4794 3.0634 3.0634
Cl4 1.7814 2.3470 3.0634 2.9390
Cl5 1.7814 2.3470 3.0634 2.9390
Maximum atom distance is 3.0634Å between atoms Br3 and Cl4.
picture of Methane, bromodichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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