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Geometry for CHF2Cl (difluorochloromethane) 1A' CS

1910171554
InChI=1S/CHClF2/c2-1(3)4/h1H INChIKey=VOPWNXZWBYDODV-UHFFFAOYSA-N

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5771 -0.0961 0.0000   0.3761 -0.4377 -0.0961
H2 -1.4642 0.5685 0.0000   0.9543 -1.1105 0.5685
Cl3 0.9009 0.9365 0.0000   -0.5871 0.6832 0.9365
F4 -0.5771 -0.8840 1.0978   1.2088 0.2778 -0.8840
F5 -0.5771 -0.8840 -1.0978   -0.4565 -1.1532 -0.8840
Atom - Atom Distances (Å)
  C1 H2 Cl3 F4 F5
C1 1.1085 1.8030 1.3513 1.3513
H2 1.1085 2.3935 2.0254 2.0254
Cl3 1.8030 2.3935 2.5892 2.5892
F4 1.3513 2.0254 2.5892 2.1956
F5 1.3513 2.0254 2.5892 2.1956
Maximum atom distance is 2.5892Å between atoms Cl3 and F4.
picture of difluorochloromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 F4 109.509 F3 C1 Cl5 109.509
F4 C1 Cl5 108.667
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 108.214 H2 C1 F4 110.464
H2 C1 Cl5 110.464

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