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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/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6633 -0.1475 0.0000   0.3583 -0.5582 -0.1475
H2 -1.5714 0.4442 0.0000   0.8487 -1.3225 0.4442
Br3 0.8030 1.1165 0.0000   -0.4337 0.6758 1.1165
Cl4 -0.6633 -1.1364 1.4576   1.5849 0.2290 -1.1364
Cl5 -0.6633 -1.1364 -1.4576   -0.8684 -1.3455 -1.1364
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0839 1.9359 1.7614 1.7614
H2 1.0839 2.4677 2.3340 2.3340
Br3 1.9359 2.4677 3.0578 3.0578
Cl4 1.7614 2.3340 3.0578 2.9152
Cl5 1.7614 2.3340 3.0578 2.9152
Maximum atom distance is 3.0578Å 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 111.504 Br3 C1 Cl5 111.504
Cl4 C1 Cl5 111.693
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.145 H2 C1 Cl4 107.849
H2 C1 Cl5 107.849

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