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Geometry for CHF2Cl (difluorochloromethane) 1A' CS

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

B3PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5708 -0.0945 0.0000   0.3725 -0.4325 -0.0945
H2 -1.4535 0.5597 0.0000   0.9485 -1.1013 0.5597
Cl3 0.8913 0.9284 0.0000   -0.5816 0.6754 0.9284
F4 -0.5708 -0.8764 1.0871   1.1962 0.2769 -0.8764
F5 -0.5708 -0.8764 -1.0871   -0.4513 -1.1419 -0.8764
Atom - Atom Distances (Å)
  C1 H2 Cl3 F4 F5
C1 1.0987 1.7844 1.3391 1.3391
H2 1.0987 2.3736 2.0058 2.0058
Cl3 1.7844 2.3736 2.5645 2.5645
F4 1.3391 2.0058 2.5645 2.1742
F5 1.3391 2.0058 2.5645 2.1742
Maximum atom distance is 2.5645Å 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 109.556 F3 C1 Cl5 109.556
F4 C1 Cl5 108.550
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 108.475 H2 C1 F4 110.346
H2 C1 Cl5 110.346

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