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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

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

mPW1PW91/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1768 0.5211 0.0000   -0.2428 0.4610 -0.1768
H2 -1.0815 1.1255 0.0000   -0.5244 0.9959 -1.0815
F3 0.9058 1.3095 0.0000   -0.6101 1.1587 0.9058
Cl4 -0.1768 -0.4717 1.4677   1.5184 0.2664 -0.1768
Cl5 -0.1768 -0.4717 -1.4677   -1.0789 -1.1012 -0.1768
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0880 1.3393 1.7719 1.7719
H2 1.0880 1.9958 2.3502 2.3502
F3 1.3393 1.9958 2.5493 2.5493
Cl4 1.7719 2.3502 2.5493 2.9354
Cl5 1.7719 2.3502 2.5493 2.9354
Maximum atom distance is 2.9354Å 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 109.260 F3 C1 Cl5 109.260
Cl4 C1 Cl5 111.851
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.186 H2 C1 Cl4 108.134
H2 C1 Cl5 108.134

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