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

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

PBE1PBE/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6691 -0.1419 0.0000   0.3796 -0.5510 -0.1419
H2 -1.5714 0.4572 0.0000   0.8914 -1.2941 0.4572
Br3 0.8096 1.1064 0.0000   -0.4593 0.6667 1.1064
Cl4 -0.6691 -1.1274 1.4492   1.5730 0.2711 -1.1274
Cl5 -0.6691 -1.1274 -1.4492   -0.8139 -1.3731 -1.1274
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0831 1.9352 1.7525 1.7525
H2 1.0831 2.4679 2.3292 2.3292
Br3 1.9352 2.4679 3.0458 3.0458
Cl4 1.7525 2.3292 3.0458 2.8984
Cl5 1.7525 2.3292 3.0458 2.8984
Maximum atom distance is 3.0458Å 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 111.269 Br3 C1 Cl5 111.269
Cl4 C1 Cl5 111.568
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.244 H2 C1 Cl4 108.123
H2 C1 Cl5 108.123

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