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

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

B3PW91/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6659 -0.1510 0.0000   0.3760 -0.5496 -0.1510
H2 -1.5758 0.4371 0.0000   0.8897 -1.3006 0.4371
Br3 0.8060 1.1250 0.0000   -0.4551 0.6653 1.1250
Cl4 -0.6659 -1.1444 1.4649   1.5850 0.2775 -1.1444
Cl5 -0.6659 -1.1444 -1.4649   -0.8331 -1.3767 -1.1444
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0834 1.9480 1.7699 1.7699
H2 1.0834 2.4792 2.3398 2.3398
Br3 1.9480 2.4792 3.0761 3.0761
Cl4 1.7699 2.3398 3.0761 2.9298
Cl5 1.7699 2.3398 3.0761 2.9298
Maximum atom distance is 3.0761Å 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 111.570 Br3 C1 Cl5 111.570
Cl4 C1 Cl5 111.715
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.205 H2 C1 Cl4 107.736
H2 C1 Cl5 107.736

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