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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

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

B3LYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1797 0.5858 0.0000   -0.2803 0.5144 -0.1797
H2 -1.1143 1.1334 0.0000   -0.5423 0.9952 -1.1143
F3 0.9226 1.3835 0.0000   -0.6620 1.2148 0.9226
Cl4 -0.1797 -0.5029 1.5347   1.5883 0.2928 -0.1797
Cl5 -0.1797 -0.5029 -1.5347   -1.1070 -1.1760 -0.1797
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0832 1.3607 1.8816 1.8816
H2 1.0832 2.0522 2.4303 2.4303
F3 1.3607 2.0522 2.6700 2.6700
Cl4 1.8816 2.4303 2.6700 3.0694
Cl5 1.8816 2.4303 2.6700 3.0694
Maximum atom distance is 3.0694Å 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 109.828 F3 C1 Cl5 109.828
Cl4 C1 Cl5 109.298
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.740 H2 C1 Cl4 107.008
H2 C1 Cl5 107.008

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