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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

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

CID/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1764 0.5131 0.0000   -0.2422 0.4523 -0.1764
H2 -1.0633 1.1287 0.0000   -0.5327 0.9950 -1.0633
F3 0.9021 1.3000 0.0000   -0.6136 1.1461 0.9021
Cl4 -0.1764 -0.4679 1.4583   1.5064 0.2758 -0.1764
Cl5 -0.1764 -0.4679 -1.4583   -1.0648 -1.1008 -0.1764
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0796 1.3350 1.7575 1.7575
H2 1.0796 1.9728 2.3371 2.3371
F3 1.3350 1.9728 2.5328 2.5328
Cl4 1.7575 2.3371 2.5328 2.9166
Cl5 1.7575 2.3371 2.5328 2.9166
Maximum atom distance is 2.9166Å 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 109.208 F3 C1 Cl5 109.208
Cl4 C1 Cl5 112.144
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.121 H2 C1 Cl4 108.556
H2 C1 Cl5 108.556

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