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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

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

CCD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1899 0.5465 0.0000   -0.2687 0.4759 -0.1899
H2 -1.0779 1.1750 0.0000   -0.5776 1.0233 -1.0779
F3 0.9639 1.3484 0.0000   -0.6628 1.1742 0.9639
Cl4 -0.1899 -0.4879 1.5347   1.5763 0.3295 -0.1899
Cl5 -0.1899 -0.4879 -1.5347   -1.0966 -1.1793 -0.1899
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0879 1.4051 1.8508 1.8508
H2 1.0879 2.0492 2.4309 2.4309
F3 1.4051 2.0492 2.6568 2.6568
Cl4 1.8508 2.4309 2.6568 3.0693
Cl5 1.8508 2.4309 2.6568 3.0693
Maximum atom distance is 3.0693Å 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 108.601 F3 C1 Cl5 108.601
Cl4 C1 Cl5 112.036
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.912 H2 C1 Cl4 108.838
H2 C1 Cl5 108.838

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