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

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

B2PLYP/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6906 -0.1187 0.0000   0.3928 -0.5681 -0.1187
H2 -1.5818 0.4965 0.0000   0.8997 -1.3010 0.4965
Br3 0.8345 1.0973 0.0000   -0.4746 0.6864 1.0973
Cl4 -0.6906 -1.1232 1.4614   1.5948 0.2632 -1.1232
Cl5 -0.6906 -1.1232 -1.4614   -0.8092 -1.3993 -1.1232
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0829 1.9506 1.7734 1.7734
H2 1.0829 2.4899 2.3566 2.3566
Br3 1.9506 2.4899 3.0647 3.0647
Cl4 1.7734 2.3566 3.0647 2.9229
Cl5 1.7734 2.3566 3.0647 2.9229
Maximum atom distance is 3.0647Å 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 110.679 Br3 C1 Cl5 110.679
Cl4 C1 Cl5 110.996
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.813 H2 C1 Cl4 108.773
H2 C1 Cl5 108.773

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