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Geometry for CHF2Cl (difluorochloromethane) 1A' CS

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

B1B95/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5714 -0.0937 0.0000   0.3743 -0.4316 -0.0937
H2 -1.4404 0.5654 0.0000   0.9437 -1.0882 0.5654
Cl3 0.8913 0.9158 0.0000   -0.5840 0.6734 0.9158
F4 -0.5714 -0.8651 1.0781   1.1888 0.2747 -0.8651
F5 -0.5714 -0.8651 -1.0781   -0.4402 -1.1380 -0.8651
Atom - Atom Distances (Å)
  C1 H2 Cl3 F4 F5
C1 1.0908 1.7773 1.3257 1.3257
H2 1.0908 2.3580 1.9910 1.9910
Cl3 1.7773 2.3580 2.5443 2.5443
F4 1.3257 1.9910 2.5443 2.1562
F5 1.3257 1.9910 2.5443 2.1562
Maximum atom distance is 2.5443Å 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 109.302 F3 C1 Cl5 109.302
F4 C1 Cl5 108.829
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 108.209 H2 C1 F4 110.588
H2 C1 Cl5 110.588

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