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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

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

B1B95/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1769 0.5186 0.0000   -0.2336 0.4630 -0.1769
H2 -1.0753 1.1261 0.0000   -0.5072 1.0054 -1.0753
F3 0.9058 1.3071 0.0000   -0.5887 1.1670 0.9058
Cl4 -0.1769 -0.4706 1.4660   1.5209 0.2401 -0.1769
Cl5 -0.1769 -0.4706 -1.4660   -1.0969 -1.0805 -0.1769
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0844 1.3394 1.7686 1.7686
H2 1.0844 1.9893 2.3464 2.3464
F3 1.3394 1.9893 2.5459 2.5459
Cl4 1.7686 2.3464 2.5459 2.9320
Cl5 1.7686 2.3464 2.5459 2.9320
Maximum atom distance is 2.9320Å 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 109.225 F3 C1 Cl5 109.225
Cl4 C1 Cl5 111.978
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.871 H2 C1 Cl4 108.259
H2 C1 Cl5 108.259

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