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Geometry for CH2BrCl (Methane, bromochloro-) 1A' CS

1910171554
InChI=1S/CH2BrCl/c2-1-3/h1H2 INChIKey=JPOXNPPZZKNXOV-UHFFFAOYSA-N

QCISD/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0323 0.0000   0.5946 -0.8438 0.0000
Br2 0.8482 -0.7198 0.0000   -1.1080 0.0998 0.0000
Cl3 -1.7838 0.9351 0.0000   1.9968 0.2631 0.0000
H4 0.3185 1.5522 0.9097   0.6337 -1.4523 0.9097
H5 0.3185 1.5522 -0.9097   0.6337 -1.4523 -0.9097
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9466 1.7865 1.0951 1.0951
Br2 1.9466 3.1091 2.5041 2.5041
Cl3 1.7865 3.1091 2.3724 2.3724
H4 1.0951 2.5041 2.3724 1.8193
H5 1.0951 2.5041 2.3724 1.8193
Maximum atom distance is 3.1091Å between atoms Br2 and Cl3.
picture of Methane, bromochloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 Cl3 112.715
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.495 Br2 C1 H5 107.495
Cl3 C1 H4 108.437 Cl3 C1 H5 108.437
H4 C1 H5 112.328

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