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

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

MP2=FULL/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 -0.6698 -0.1305 0.0000   0.3786 -0.5526 -0.1305
H2 -1.5707 0.4688 0.0000   0.8878 -1.2958 0.4688
Br3 0.8104 1.0950 0.0000   -0.4581 0.6685 1.0950
Cl4 -0.6698 -1.1180 1.4438   1.5697 0.2635 -1.1180
Cl5 -0.6698 -1.1180 -1.4438   -0.8125 -1.3687 -1.1180
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0820 1.9217 1.7493 1.7493
H2 1.0820 2.4621 2.3268 2.3268
Br3 1.9217 2.4621 3.0288 3.0288
Cl4 1.7493 2.3268 3.0288 2.8877
Cl5 1.7493 2.3268 3.0288 2.8877
Maximum atom distance is 3.0288Å 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 111.101 Br3 C1 Cl5 111.101
Cl4 C1 Cl5 111.258
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.749 H2 C1 Cl4 108.220
H2 C1 Cl5 108.220

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