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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

1910171554
InChI=1S/CHCl2F/c2-1(3)4/h1H INChIKey=UMNKXPULIDJLSU-UHFFFAOYSA-N

MP2/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1961 0.5363 0.0000   -0.2626 0.4676 -0.1961
H2 -1.0641 1.1997 0.0000   -0.5875 1.0460 -1.0641
F3 0.9900 1.3521 0.0000   -0.6621 1.1789 0.9900
Cl4 -0.1961 -0.4878 1.5396   1.5813 0.3286 -0.1961
Cl5 -0.1961 -0.4878 -1.5396   -1.1035 -1.1793 -0.1961
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0925 1.4396 1.8491 1.8491
H2 1.0925 2.0597 2.4437 2.4437
F3 1.4396 2.0597 2.6763 2.6763
Cl4 1.8491 2.4437 2.6763 3.0792
Cl5 1.8491 2.4437 2.6763 3.0792
Maximum atom distance is 3.0792Å between atoms Cl4 and Cl5.
picture of fluorodichloromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 Cl4 108.292 F3 C1 Cl5 108.292
Cl4 C1 Cl5 112.740
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 108.087 H2 C1 Cl4 109.653
H2 C1 Cl5 109.653

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