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

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

PBEPBE/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6710 -0.1556 0.0000   0.3540 -0.5701 -0.1556
H2 -1.5856 0.4395 0.0000   0.8364 -1.3470 0.4395
Br3 0.8122 1.1356 0.0000   -0.4284 0.6900 1.1356
Cl4 -0.6710 -1.1545 1.4759   1.6078 0.2085 -1.1545
Cl5 -0.6710 -1.1545 -1.4759   -0.8999 -1.3486 -1.1545
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0911 1.9665 1.7821 1.7821
H2 1.0911 2.4968 2.3570 2.3570
Br3 1.9665 2.4968 3.1020 3.1020
Cl4 1.7821 2.3570 3.1020 2.9518
Cl5 1.7821 2.3570 3.1020 2.9518
Maximum atom distance is 3.1020Å 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 111.594 Br3 C1 Cl5 111.594
Cl4 C1 Cl5 111.822
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 105.907 H2 C1 Cl4 107.799
H2 C1 Cl5 107.799

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