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

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

BLYP/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6791 -0.1582 0.0000   0.3819 -0.5615 -0.1582
H2 -1.5932 0.4315 0.0000   0.8961 -1.3173 0.4315
Br3 0.8216 1.1520 0.0000   -0.4621 0.6794 1.1520
Cl4 -0.6791 -1.1707 1.4934   1.6167 0.2784 -1.1707
Cl5 -0.6791 -1.1707 -1.4934   -0.8528 -1.4014 -1.1707
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0878 1.9922 1.8042 1.8042
H2 1.0878 2.5200 2.3733 2.3733
Br3 1.9922 2.5200 3.1428 3.1428
Cl4 1.8042 2.3733 3.1428 2.9867
Cl5 1.8042 2.3733 3.1428 2.9867
Maximum atom distance is 3.1428Å 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 111.657 Br3 C1 Cl5 111.657
Cl4 C1 Cl5 111.726
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.052 H2 C1 Cl4 107.711
H2 C1 Cl5 107.711

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