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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

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

MP2=FULL/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1760 0.5235 0.0000   0.0000 0.3753 -0.4052
H2 -1.0829 1.1204 0.0000   0.0000 0.4652 -1.4871
F3 0.9027 1.3087 0.0000   0.0000 1.5812 0.1659
Cl4 -0.1760 -0.4718 1.4479   1.4479 -0.4985 0.0713
Cl5 -0.1760 -0.4718 -1.4479   -1.4479 -0.4985 0.0713
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0857 1.3343 1.7570 1.7570
H2 1.0857 1.9945 2.3353 2.3353
F3 1.3343 1.9945 2.5358 2.5358
Cl4 1.7570 2.3353 2.5358 2.8958
Cl5 1.7570 2.3353 2.5358 2.8958
Maximum atom distance is 2.8958Å 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 109.473 F3 C1 Cl5 109.473
Cl4 C1 Cl5 110.993
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.595 H2 C1 Cl4 108.146
H2 C1 Cl5 108.146

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