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

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

TPSSh/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6893 -0.1209 0.0000   0.3950 -0.5649 -0.1209
H2 -1.6012 0.4628 0.0000   0.9176 -1.3122 0.4628
Br3 0.8335 1.1358 0.0000   -0.4776 0.6831 1.1358
Cl4 -0.6893 -1.1615 1.5227   1.6429 0.3077 -1.1615
Cl5 -0.6893 -1.1615 -1.5227   -0.8529 -1.4375 -1.1615
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0827 1.9745 1.8443 1.8443
H2 1.0827 2.5261 2.4060 2.4060
Br3 1.9745 2.5261 3.1489 3.1489
Cl4 1.8443 2.4060 3.1489 3.0454
Cl5 1.8443 2.4060 3.1489 3.0454
Maximum atom distance is 3.1489Å 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 111.047 Br3 C1 Cl5 111.047
Cl4 C1 Cl5 111.302
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.846 H2 C1 Cl4 107.709
H2 C1 Cl5 107.709

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