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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

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

B97D3/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1792 0.5929 0.0000   -0.2817 0.5217 -0.1792
H2 -1.1244 1.1332 0.0000   -0.5384 0.9972 -1.1244
F3 0.9212 1.4027 0.0000   -0.6664 1.2343 0.9212
Cl4 -0.1792 -0.5093 1.5461   1.6024 0.2864 -0.1792
Cl5 -0.1792 -0.5093 -1.5461   -1.1185 -1.1826 -0.1792
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0887 1.3662 1.8987 1.8987
H2 1.0887 2.0632 2.4457 2.4457
F3 1.3662 2.0632 2.6938 2.6938
Cl4 1.8987 2.4457 2.6938 3.0921
Cl5 1.8987 2.4457 2.6938 3.0921
Maximum atom distance is 3.0921Å 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 110.113 F3 C1 Cl5 110.113
Cl4 C1 Cl5 111.282
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 111.173 H2 C1 Cl4 107.044
H2 C1 Cl5 107.044

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