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

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

CCSD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6743 -0.1380 0.0000   0.3928 -0.5481 -0.1380
H2 -1.5912 0.4621 0.0000   0.9269 -1.2934 0.4621
Br3 0.8161 1.1189 0.0000   -0.4754 0.6634 1.1189
Cl4 -0.6743 -1.1410 1.4687   1.5866 0.3074 -1.1410
Cl5 -0.6743 -1.1410 -1.4687   -0.8010 -1.4036 -1.1410
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0958 1.9497 1.7785 1.7785
H2 1.0958 2.4953 2.3596 2.3596
Br3 1.9497 2.4953 3.0799 3.0799
Cl4 1.7785 2.3596 3.0799 2.9373
Cl5 1.7785 2.3596 3.0799 2.9373
Maximum atom distance is 3.0799Å 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 111.320 Br3 C1 Cl5 111.320
Cl4 C1 Cl5 111.335
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.658 H2 C1 Cl4 107.990
H2 C1 Cl5 107.990

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