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

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

B3LYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6460 -0.1217 0.0000   0.3622 -0.5349 -0.1217
H2 -1.6285 0.3993 0.0000   0.9132 -1.3483 0.3993
Br3 0.7848 1.1681 0.0000   -0.4401 0.6498 1.1681
Cl4 -0.6460 -1.1927 1.5186   1.6196 0.3167 -1.1927
Cl5 -0.6460 -1.1927 -1.5186   -0.8951 -1.3864 -1.1927
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.1121 1.9263 1.8583 1.8583
H2 1.1121 2.5328 2.4095 2.4095
Br3 1.9263 2.5328 3.1507 3.1507
Cl4 1.8583 2.4095 3.1507 3.0372
Cl5 1.8583 2.4095 3.1507 3.0372
Maximum atom distance is 3.1507Å 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 112.700 Br3 C1 Cl5 112.700
Cl4 C1 Cl5 109.612
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 110.031 H2 C1 Cl4 105.664
H2 C1 Cl5 105.664

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